A0A3Q0KQP6_SCHMA Loading...

MRH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,041 aa.

						>A0A3Q0KQP6_SCHMA|A0A3Q0KQP6
MLLRLISFSLFISFIYSESCQENDLQIKSTSCDTSGNRWLFKIPKDDRTCDINDLSLPRKVDNCEITCPSGMHLNLLSENCEVCPSGTYSTGDMLEVTKWDSMPDFLTSDTTYGSLSNVKCNLTGWSPQGKHLVGKTTDSCTVILSMKVYNLKPGTITFTYQIQEYGGLAFFIIRNERCTQLPGGSFLLGLTGSYAYETVTFSVPVGHNILQWYLLVENVYIQRLYGLKDPELHIKEIRLTGTPPVTACTPCAAGSFGPKEKADHCELCPRDTYSAEGAKSCQSCPADQYSGNGSSSCSPRPPCKKDDYTSYWTSCDQQEMTQRKWKWIEPKICDENSGVSLPESESPVHCHKCPTGTFPLDGNTCELCSIGMKKHLSNLEACVTCPTNEVPMYGLRFDNWYRMPSILKLDCFNFFGTKCNTWERDLTLLRGGVGMHSDESAILELPIKDGFITASTLDSTDEYSFYFQPPISNTFVRIEFKLDCIGRCQFSMKQVFDTGNEQTIAIWGGSSNRINYTYHIKDASEVKFKWIFEKPSSPIHIQDHVNIYQIEVTNVKNDNTIGCQTCVQGIVDGKCKTCPYGLYFSIQYDEINKTNIINCTKCPNNSIVVGDASSLHTVTEACHLCEPGTIAVNHSICVTDTQPITASGFQYNLTDVIDRVHHVSSPKMFTPSGTGYYHEFLISMAYGKTVQCIENSSIYDQRTVNASICRHTRFEASNPKRTKTYSKPTRLADRLIRMVPSNVTLDFWQEVNKNLTKAGWMEDKYGNDLHYVFASDDHSPNCPHGRTTVITLRCIFTQNFETYMYQIKDFSEYITGKIELPPLCPDGTCDGCTYHFLWTSMYGCRMCQEDDYEKILGECSYGHRQVHLRAPWECRVPQDRNLTLIERCPLLSRSQTAAVLLTLIILIILGLIIFMCHRRNKKLEYKYMKLVQSTSGKNQVTSCALEGDGDMDKGGSIYYTTMNNSNSNSNSDSYNKTRIKSPPSYADSTGVVLEPNEFLKNDHFTQMGFKGLPKVNLPPIIFKAKSDTDRDILTENDHVL
					

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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	42.1	Very low	48.7	Very low	231 Å²	231	160.6 Å²	160.6	100%	1.138	81%	0.806	S	S	*	*				0	-23.6	0	-144.2	176	171.3	0	0	113.6
2	L	46.1	Very low	48.6	Very low	154 Å²	154	158.9 Å²	158.9	81%	0.806	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-80.9	-10.8	175.1	-101.6	85.6	0	0	0	116.2	R4	L2-R4 VanDerWaalsContact C-N 3.27Å; L2-R4 PolarHBondContact O-N 3.33Å
3	L	47.9	Very low	48.3	Very low	170 Å²	170	153.2 Å²	153.2	89%	0.89	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-78	-2	-175.8	-125.9	84.2	0	0	0	115
4	R	49.2	Very low	48	Very low	219 Å²	219	154 Å²	154	83%	0.826	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-97.1	-0.6	-177.6	-78.8	-166.4	176.6	-174	-0.5	115.1	L2	L2-R4 VanDerWaalsContact C-N 3.27Å; L2-R4 PolarHBondContact O-N 3.33Å
5	L	52.9	Low	48	Very low	139 Å²	139	154 Å²	154	73%	0.728	78%	0.779	S	S	*	*	S	Bend	trans	-105.1	-6.6	-173.7	-89.7	148.5	0	0	0	115.2
6	I	51.8	Low	48.2	Very low	148 Å²	148	156.8 Å²	156.8	76%	0.759	78%	0.779	S	S	*	*	S	Bend	trans	-97.1	-10.6	-180	-57.4	175.5	0	0	0	112	F8	I6-F8 VanDerWaalsContact C-N 3.25Å; I6-F8 PolarHBondContact O-N 3.35Å
7	S	51.6	Low	48.8	Very low	81 Å²	81	149.5 Å²	149.5	57%	0.566	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-0.1	177.3	57.1	0	0	0	0	114.7
8	F	51.7	Low	49.9	Very low	181 Å²	181	150.2 Å²	150.2	79%	0.794	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	2.4	-173.9	-107.6	-82.4	0	0	0	115.6	I6	I6-F8 VanDerWaalsContact C-N 3.25Å; I6-F8 PolarHBondContact O-N 3.35Å
9	S	50.7	Low	51.1	Low	105 Å²	105	145.7 Å²	145.7	73%	0.734	73%	0.732	S	S	*	*	S	Bend	trans	-117.7	9.7	-173.8	-50.6	0	0	0	0	115.5
10	L	46.8	Very low	52.3	Low	161 Å²	161	139.4 Å²	139.4	84%	0.843	70%	0.702	S	S	*	*	S	Bend	trans	-118.1	5.3	176.8	-95.3	138.7	0	0	0	114.6	I12	L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.33Å
11	F	45.2	Very low	53.4	Low	178 Å²	178	139 Å²	139	78%	0.781	70%	0.698	S	S	*	*			trans	-95.6	47.2	172.5	-87.8	-81.1	0	0	0	112.3	S13	F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S13 PolarHBondContact O-N 3.21Å
12	I	47	Very low	54.9	Low	140 Å²	140	133 Å²	133	72%	0.718	67%	0.667	S	S	*	*			trans	-92.9	86.1	153.9	-59	177.4	0	0	0	105.4	L10 F14	L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.33Å; I12-F14 VanDerWaalsContact C-N 3.26Å; I12-F14 PolarHBondContact O-N 3.01Å
13	S	44.7	Very low	56.1	Low	84 Å²	84	131.7 Å²	131.7	59%	0.587	66%	0.661	S	S	*	*			trans	-55.1	91.9	166.7	-36.1	0	0	0	0	108	F11 I15	F11-S13 VanDerWaalsContact C-N 3.32Å; F11-S13 PolarHBondContact O-N 3.21Å; S13-I15 PolarHBondContact O-N 3.3Å
14	F	44.9	Very low	57.4	Low	165 Å²	165	127.1 Å²	127.1	72%	0.724	64%	0.637	S	S	*	*			trans	-62.5	95.4	147.9	-89.5	-89.9	0	0	0	104.7	I12 Y16	I12-F14 VanDerWaalsContact C-N 3.26Å; I12-F14 PolarHBondContact O-N 3.01Å; F14-Y16 HydrophobicContact CB-CD2 3.84Å; F14-Y16 HydrophobicContact CB-CE2 3.97Å; F14-Y16 HydrophobicContact CD1-CE2 4.23Å; F14-Y16 HydrophobicContact CG-CE2 4.34Å; F14-Y16 PolarHBondContact O-N 3.08Å
15	I	47.3	Very low	58.7	Low	154 Å²	154	117.3 Å²	117.3	79%	0.79	60%	0.601	S	S	*	*			trans	-64.9	80.8	165	-58.5	169.4	0	0	0	104.6	S13 S17	S13-I15 PolarHBondContact O-N 3.3Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.17Å; I15-S17 VanDerWaalsContact O-N 3.14Å
16	Y	51.8	Low	60	Low	198 Å²	198	113.8 Å²	113.8	78%	0.776	58%	0.581	S	S	*	*			trans	-68.5	101.6	158	-88.1	-87.5	0	0	0	104.5	F14 E18	F14-Y16 HydrophobicContact CB-CD2 3.84Å; F14-Y16 HydrophobicContact CB-CE2 3.97Å; F14-Y16 HydrophobicContact CD1-CE2 4.23Å; F14-Y16 HydrophobicContact CG-CE2 4.34Å; F14-Y16 PolarHBondContact O-N 3.08Å; Y16-E18 PolarHBondContact O-N 2.99Å
17	S	58.2	Low	61.5	Low	34 Å²	34	108.7 Å²	108.7	24%	0.238	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-56.3	121.8	163.3	-179.8	0	0	0	0	106.7	I15 S19 D51	I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.17Å; I15-S17 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact O-N 3.16Å; S17-D51 VanDerWaalsContact CB-OD1 3.24Å; S17-D51 WeakPolarHBondContact CB-OD1 3.35Å; S17-D51 WeakPolarHBondContact CB-OD2 3.46Å; S17-D51 PolarHBondContact OG-N 3.49Å; S17-D51 VanDerWaalsContact OG-N 3.14Å; S17-D51 PolarHBondContact OG-OD1 2.98Å
18	E	68.7	Low	62.9	Low	161 Å²	161	109.9 Å²	109.9	75%	0.752	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-63.4	133.7	179.6	-164	166.8	-168.2	0	0	108.1	Y16 C20 C50 D51	Y16-E18 PolarHBondContact O-N 2.99Å; E18-C20 PolarHBondContact O-N 3.27Å; E18-C50 WeakPolarHBondContact O-CA 3.28Å; E18-C50 WeakPolarHBondContact O-CB 3.4Å; E18-D51 PolarHBondContact O-N 3.22Å
19	S	72.4	Confident	64.3	Low	66 Å²	66	103.5 Å²	103.5	46%	0.462	53%	0.527	S	S	.	.	B	Isolated β-bridge	trans	-68	128.7	178.3	56.1	0	0	0	0	109.6	S17 Q21 D51	S17-S19 PolarHBondContact O-N 3.16Å; S19-Q21 PolarHBondContact O-N 3.18Å; S19-D51 WeakPolarHBondContact CA-O 3.49Å
20	C	74.8	Confident	65.7	Low	19 Å²	19	101.1 Å²	101.1	13%	0.128	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-58.1	131.8	178.5	-50.2	0	0	0	0	110.5	E18 L25 C50 D51	E18-C20 PolarHBondContact O-N 3.27Å; C20-L25 HydrophobicContact CB-CD1 4.02Å; C20-L25 HydrophobicContact CB-CD2 3.6Å; C20-L25 HydrophobicContact CB-CG 3.81Å; C20-C50 HydrophobicContact CB-CB 3.98Å; C20-C50 WeakPolarHBondContact CB-SG 3.32Å; C20-C50 WeakPolarHBondContact SG-CB 3.34Å; C20-C50 PolarHBondContact SG-O 3.46Å; C20-C50 VanDerWaalsContact SG-O 3.36Å; C20-C50 CovalentContact SG-SG 2.02Å; C20-C50 PolarHBondContact SG-SG 2.83Å; C20-D51 PolarHBondContact N-O 2.88Å; C20-D51 VanDerWaalsContact N-O 3.14Å
21	Q	75.7	Confident	67	Low	131 Å²	131	98.5 Å²	98.5	61%	0.612	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-77	155.1	168.2	-62	-164.7	-10.5	0	0	109.9	S19 N23 D24	S19-Q21 PolarHBondContact O-N 3.18Å; Q21-N23 PolarHBondContact O-N 3.35Å; Q21-N23 VanDerWaalsContact O-N 3.09Å; Q21-D24 WeakPolarHBondContact CB-OD2 3.37Å; Q21-D24 PolarHBondContact N-OD2 3.38Å; Q21-D24 WeakPolarHBondContact O-CB 3.45Å; Q21-D24 PolarHBondContact O-N 3.21Å
22	E	72.5	Confident	68.4	Low	106 Å²	106	91.9 Å²	91.9	50%	0.495	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-57.1	-30.8	-178.1	-168.5	64	-166.7	0	0	112.6	D24 L25 K42	E22-D24 VanDerWaalsContact C-N 3.28Å; E22-D24 PolarHBondContact O-N 3.27Å; E22-L25 PolarHBondContact O-N 3.49Å; E22-K42 IonicContact OE1-NZ 3.72Å; E22-K42 PolarHBondContact OE1-NZ 2.85Å; E22-K42 IonicContact OE2-NZ 3.26Å; E22-K42 PolarHBondContact OE2-NZ 3.38Å
23	N	72.6	Confident	69.8	Low	126 Å²	126	88.3 Å²	88.3	67%	0.674	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-69	-25	177	-69.6	-18.6	0	0	0	113.6	Q21 L25 K45	Q21-N23 PolarHBondContact O-N 3.35Å; Q21-N23 VanDerWaalsContact O-N 3.09Å; N23-L25 VanDerWaalsContact C-N 3.32Å; N23-K45 PolarHBondContact O-NZ 2.78Å
24	D	75.4	Confident	71	Confident	73 Å²	73	91.6 Å²	91.6	39%	0.39	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-83.4	-13.3	179.1	-54.7	-36.8	0	0	0	111.8	Q21 E22 P44 K45	Q21-D24 WeakPolarHBondContact CB-OD2 3.37Å; Q21-D24 PolarHBondContact N-OD2 3.38Å; Q21-D24 WeakPolarHBondContact O-CB 3.45Å; Q21-D24 PolarHBondContact O-N 3.21Å; E22-D24 VanDerWaalsContact C-N 3.28Å; E22-D24 PolarHBondContact O-N 3.27Å; D24-P44 CarbonylContact O-C 3.49Å; D24-P44 WeakPolarHBondContact O-CA 3.33Å; D24-K45 PolarHBondContact O-N 3.28Å
25	L	76.8	Confident	72.4	Confident	13 Å²	13	88 Å²	88	7%	0.068	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.6	-177.1	-62.3	173.3	0	0	0	111.1	C20 E22 N23 K42 I43 K45 I52	C20-L25 HydrophobicContact CB-CD1 4.02Å; C20-L25 HydrophobicContact CB-CD2 3.6Å; C20-L25 HydrophobicContact CB-CG 3.81Å; E22-L25 PolarHBondContact O-N 3.49Å; N23-L25 VanDerWaalsContact C-N 3.32Å; L25-K42 HydrophobicContact CB-CD 4.44Å; L25-K42 HydrophobicContact CD1-CB 4.45Å; L25-K42 HydrophobicContact CD1-CD 3.79Å; L25-K42 HydrophobicContact CD2-CB 4.45Å; L25-I43 CarbonylContact C-O 3.58Å; L25-I43 WeakPolarHBondContact CA-O 3.32Å; L25-K45 VanDerWaalsContact O-CE 3.29Å; L25-K45 WeakPolarHBondContact O-CE 3.39Å; L25-I52 HydrophobicContact CD2-CD1 4.18Å; L25-I52 HydrophobicContact CD2-CG1 4.11Å
26	Q	79.8	Confident	73.6	Confident	65 Å²	65	81.9 Å²	81.9	30%	0.304	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	167.9	58.3	179.9	-21	0	0	109.3	K42 I43 P44 K45	Q26-K42 WeakPolarHBondContact O-CA 3.42Å; Q26-I43 HydrophobicContact CG-CD1 4.18Å; Q26-I43 HydrophobicContact CG-CG1 3.5Å; Q26-I43 VanDerWaalsContact CG-CG1 3.5Å; Q26-I43 WeakPolarHBondContact CG-O 3.27Å; Q26-I43 PolarHBondContact N-O 3.31Å; Q26-I43 PolarHBondContact O-N 2.81Å; Q26-P44 PolarHBondContact NE2-O 2.86Å; Q26-K45 HydrophobicContact CB-CG 3.79Å; Q26-K45 HydrophobicContact CG-CG 3.97Å
27	I	82.4	Confident	75	Confident	41 Å²	41	73.2 Å²	73.2	21%	0.21	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.1	179	-59.7	170.4	0	0	0	108.1	L40 F41 K42 L57 L76 L77	I27-L40 HydrophobicContact CG2-CB 4.38Å; I27-F41 WeakPolarHBondContact CA-O 3.25Å; I27-K42 HydrophobicContact CG1-CG 4.23Å; I27-L57 HydrophobicContact CD1-CD1 4.36Å; I27-L57 HydrophobicContact CG1-CD1 4.2Å; I27-L57 HydrophobicContact CG2-CD1 4.09Å; I27-L76 HydrophobicContact CB-CD1 4.39Å; I27-L76 HydrophobicContact CG2-CB 4.13Å; I27-L76 HydrophobicContact CG2-CD1 3.87Å; I27-L77 HydrophobicContact CD1-CD1 3.52Å; I27-L77 HydrophobicContact CD1-CD2 3.53Å; I27-L77 HydrophobicContact CD1-CG 3.4Å; I27-L77 VanDerWaalsContact CD1-CG 3.4Å
28	K	81.3	Confident	76.1	Confident	107 Å²	107	72.6 Å²	72.6	47%	0.465	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153.8	171.4	-69.8	-160.8	176.6	169.5	0	110.2	L40 F41 I43	K28-L40 CarbonylContact O-C 3.55Å; K28-L40 WeakPolarHBondContact O-CA 3.49Å; K28-F41 PolarHBondContact N-O 3.5Å; K28-F41 PolarHBondContact O-N 2.82Å; K28-I43 HydrophobicContact CD-CD1 3.51Å; K28-I43 HydrophobicContact CD-CG1 4.19Å; K28-I43 VanDerWaalsContact CE-CD1 3.45Å; K28-I43 HydrophobicContact CG-CD1 4.05Å; K28-I43 HydrophobicContact CG-CG1 4.18Å
29	S	81	Confident	76.8	Confident	46 Å²	46	70.1 Å²	70.1	32%	0.322	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.3	172.8	65.2	0	0	0	0	111	W39	S29-W39 CarbonylContact C-O 3.51Å; S29-W39 VanDerWaalsContact CA-O 3.24Å; S29-W39 WeakPolarHBondContact CA-O 3.5Å
30	T	80.5	Confident	77.4	Confident	56 Å²	56	67 Å²	67	34%	0.344	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-66.8	165.2	163.1	56.8	0	0	0	0	110.9	W39 F41	T30-W39 HydrophobicContact CG2-CB 4.28Å; T30-W39 PolarHBondContact N-O 3.49Å; T30-W39 PolarHBondContact OG1-N 3.3Å; T30-F41 HydrophobicContact CG2-CD2 4.35Å; T30-F41 HydrophobicContact CG2-CE2 3.53Å; T30-F41 HydrophobicContact CG2-CZ 4.34Å
31	S	73.3	Confident	77.9	Confident	105 Å²	105	69.8 Å²	69.8	73%	0.734	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-57.7	155.2	159.7	54.7	0	0	0	0	110.5
32	C	74.8	Confident	78.3	Confident	40 Å²	40	64.5 Å²	64.5	27%	0.27	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-68.2	135	176.2	-60.3	0	0	0	0	110.6	N37 C64	C32-N37 CarbonylContact C-O 3.58Å; C32-N37 WeakPolarHBondContact CA-O 3.42Å; C32-C64 HydrophobicContact CB-CB 3.69Å; C32-C64 WeakPolarHBondContact CB-SG 3.3Å; C32-C64 WeakPolarHBondContact SG-CB 3.4Å; C32-C64 CovalentContact SG-SG 2.02Å; C32-C64 PolarHBondContact SG-SG 3.11Å
33	D	75.8	Confident	78.7	Confident	64 Å²	64	62.2 Å²	62.2	34%	0.342	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-73.5	170	170.5	72.1	21.1	0	0	0	110.8	S35 G36 N37	D33-S35 PolarHBondContact O-N 3.32Å; D33-S35 VanDerWaalsContact O-N 3.09Å; D33-S35 VanDerWaalsContact OD1-C 3.22Å; D33-S35 VanDerWaalsContact OD1-CA 3.24Å; D33-S35 WeakPolarHBondContact OD1-CA 3.34Å; D33-S35 VanDerWaalsContact OD1-CB 3.31Å; D33-S35 WeakPolarHBondContact OD1-CB 3.5Å; D33-S35 PolarHBondContact OD1-N 3.25Å; D33-G36 PolarHBondContact O-N 2.87Å; D33-G36 PolarHBondContact OD1-N 3.47Å; D33-N37 VanDerWaalsContact CG-O 3.32Å; D33-N37 PolarHBondContact N-O 3.34Å; D33-N37 PolarHBondContact OD1-N 2.85Å; D33-N37 PolarHBondContact OD1-ND2 3.44Å; D33-N37 WeakPolarHBondContact OD2-CB 3.38Å; D33-N37 PolarHBondContact OD2-ND2 3.42Å
34	T	70.6	Confident	79.1	Confident	153 Å²	153	57.8 Å²	57.8	94%	0.939	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.7	178.7	52.2	0	0	0	0	113.8
35	S	74.2	Confident	79	Confident	90 Å²	90	59.9 Å²	59.9	63%	0.629	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	5.2	177.1	-57.4	0	0	0	0	112.5	D33 N37	D33-S35 PolarHBondContact O-N 3.32Å; D33-S35 VanDerWaalsContact O-N 3.09Å; D33-S35 VanDerWaalsContact OD1-C 3.22Å; D33-S35 VanDerWaalsContact OD1-CA 3.24Å; D33-S35 WeakPolarHBondContact OD1-CA 3.34Å; D33-S35 VanDerWaalsContact OD1-CB 3.31Å; D33-S35 WeakPolarHBondContact OD1-CB 3.5Å; D33-S35 PolarHBondContact OD1-N 3.25Å; S35-N37 VanDerWaalsContact CB-ND2 3.31Å; S35-N37 WeakPolarHBondContact CB-ND2 3.38Å
36	G	73.7	Confident	78.7	Confident	25 Å²	25	64 Å²	64	26%	0.258	35%	0.352	S	S	.	.	S	Bend	trans	82.1	13.1	179.3	0	0	0	0	0	114.6	D33 D62 C64	D33-G36 PolarHBondContact O-N 2.87Å; D33-G36 PolarHBondContact OD1-N 3.47Å; G36-D62 CarbonylContact O-C 3.47Å; G36-C64 WeakPolarHBondContact O-CB 3.46Å; G36-C64 PolarHBondContact O-N 3.07Å; G36-C64 VanDerWaalsContact O-N 3.16Å
37	N	80.8	Confident	78.2	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.091	38%	0.383	C	S	.	.			trans	-104.1	153	-179.2	-36.1	-71.4	0	0	0	112.2	C32 D33 S35 K60 V61 D62	C32-N37 CarbonylContact C-O 3.58Å; C32-N37 WeakPolarHBondContact CA-O 3.42Å; D33-N37 VanDerWaalsContact CG-O 3.32Å; D33-N37 PolarHBondContact N-O 3.34Å; D33-N37 PolarHBondContact OD1-N 2.85Å; D33-N37 PolarHBondContact OD1-ND2 3.44Å; D33-N37 WeakPolarHBondContact OD2-CB 3.38Å; D33-N37 PolarHBondContact OD2-ND2 3.42Å; S35-N37 VanDerWaalsContact CB-ND2 3.31Å; S35-N37 WeakPolarHBondContact CB-ND2 3.38Å; N37-K60 HydrophobicContact CB-CD 4.46Å; N37-K60 HydrophobicContact CB-CG 4.28Å; N37-K60 VanDerWaalsContact CG-NZ 3.26Å; N37-K60 VanDerWaalsContact ND2-CE 3.34Å; N37-K60 WeakPolarHBondContact ND2-CE 3.44Å; N37-K60 PolarHBondContact ND2-NZ 3.39Å; N37-K60 VanDerWaalsContact ND2-NZ 3.14Å; N37-K60 PolarHBondContact OD1-NZ 2.9Å; N37-V61 CarbonylContact C-O 3.51Å; N37-V61 VanDerWaalsContact CA-O 3.25Å; N37-V61 WeakPolarHBondContact CA-O 3.49Å; N37-D62 WeakPolarHBondContact OD1-CA 3.04Å; N37-D62 PolarHBondContact OD1-OD1 3.43Å
38	R	81.2	Confident	77.5	Confident	20 Å²	20	76.1 Å²	76.1	8%	0.075	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.8	169.8	62.5	-175.9	-178.7	169.5	-0.1	110.9	V61	R38-V61 HydrophobicContact CG-CB 4.15Å; R38-V61 PolarHBondContact N-O 2.91Å; R38-V61 PolarHBondContact O-N 3.34Å
39	W	83.9	Confident	76.8	Confident	109 Å²	109	77.5 Å²	77.5	41%	0.413	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.1	174.8	-71.9	91.1	0	0	0	110.2	S29 T30 F41 P58 K60	S29-W39 CarbonylContact C-O 3.51Å; S29-W39 VanDerWaalsContact CA-O 3.24Å; S29-W39 WeakPolarHBondContact CA-O 3.5Å; T30-W39 HydrophobicContact CG2-CB 4.28Å; T30-W39 PolarHBondContact N-O 3.49Å; T30-W39 PolarHBondContact OG1-N 3.3Å; W39-F41 HydrophobicContact CB-CD2 4.19Å; W39-F41 HydrophobicContact CB-CE1 4.45Å; W39-F41 HydrophobicContact CB-CE2 3.17Å; W39-F41 HydrophobicContact CB-CZ 3.33Å; W39-F41 HydrophobicContact CG-CE2 4.29Å; W39-F41 HydrophobicContact CG-CZ 4.04Å; W39-F41 WeakPolarHBondContact O-CE2 3.26Å; W39-P58 HydrophobicContact CE3-CB 4.1Å; W39-P58 HydrophobicContact CZ3-CB 4.43Å; W39-K60 HydrophobicContact CD2-CB 4.15Å; W39-K60 HydrophobicContact CD2-CG 4.46Å; W39-K60 HydrophobicContact CE3-CB 4.03Å; W39-K60 HydrophobicContact CH2-CB 3.91Å; W39-K60 HydrophobicContact CZ2-CB 4.01Å; W39-K60 HydrophobicContact CZ2-CD 4.3Å; W39-K60 HydrophobicContact CZ2-CG 4.22Å; W39-K60 HydrophobicContact CZ3-CB 3.92Å
40	L	84.8	Confident	76.6	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.4	172.4	-59.4	-179	0	0	0	109.6	I27 K28 L57 P58 R59 V61 L76	I27-L40 HydrophobicContact CG2-CB 4.38Å; K28-L40 CarbonylContact O-C 3.55Å; K28-L40 WeakPolarHBondContact O-CA 3.49Å; L40-L57 HydrophobicContact CB-CD1 4.32Å; L40-L57 HydrophobicContact CB-CD2 3.66Å; L40-P58 WeakPolarHBondContact O-CA 3.17Å; L40-R59 PolarHBondContact N-O 3.08Å; L40-R59 PolarHBondContact O-N 3.14Å; L40-V61 HydrophobicContact CD1-CG2 3.68Å; L40-V61 HydrophobicContact CG-CG2 3.9Å; L40-L76 HydrophobicContact CD1-CB 4.48Å; L40-L76 WeakPolarHBondContact CD1-O 3.48Å; L40-L76 HydrophobicContact CD2-CB 4.1Å; L40-L76 HydrophobicContact CD2-CD1 4.32Å; L40-L76 HydrophobicContact CD2-CD2 4.13Å; L40-L76 HydrophobicContact CD2-CG 4.42Å
41	F	85.6	Confident	76.3	Confident	78 Å²	78	77.7 Å²	77.7	34%	0.342	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.2	178.3	-53.8	-96.2	0	0	0	109.9	I27 K28 T30 W39 P58	I27-F41 WeakPolarHBondContact CA-O 3.25Å; K28-F41 PolarHBondContact N-O 3.5Å; K28-F41 PolarHBondContact O-N 2.82Å; T30-F41 HydrophobicContact CG2-CD2 4.35Å; T30-F41 HydrophobicContact CG2-CE2 3.53Å; T30-F41 HydrophobicContact CG2-CZ 4.34Å; W39-F41 HydrophobicContact CB-CD2 4.19Å; W39-F41 HydrophobicContact CB-CE1 4.45Å; W39-F41 HydrophobicContact CB-CE2 3.17Å; W39-F41 HydrophobicContact CB-CZ 3.33Å; W39-F41 HydrophobicContact CG-CE2 4.29Å; W39-F41 HydrophobicContact CG-CZ 4.04Å; W39-F41 WeakPolarHBondContact O-CE2 3.26Å; F41-P58 HydrophobicContact CD1-CB 3.51Å; F41-P58 HydrophobicContact CD1-CG 4.33Å; F41-P58 HydrophobicContact CE1-CB 3.41Å; F41-P58 VanDerWaalsContact CE1-CB 3.41Å; F41-P58 HydrophobicContact CE1-CG 4.14Å; F41-P58 HydrophobicContact CG-CB 4.38Å; F41-P58 HydrophobicContact CZ-CB 4.24Å
42	K	83.8	Confident	76.2	Confident	20 Å²	20	76.1 Å²	76.1	9%	0.087	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.5	166.2	-64.2	-170.1	173.7	-177.1	0	108.9	E22 L25 Q26 I27 I52 D54 L57	E22-K42 IonicContact OE1-NZ 3.72Å; E22-K42 PolarHBondContact OE1-NZ 2.85Å; E22-K42 IonicContact OE2-NZ 3.26Å; E22-K42 PolarHBondContact OE2-NZ 3.38Å; L25-K42 HydrophobicContact CB-CD 4.44Å; L25-K42 HydrophobicContact CD1-CB 4.45Å; L25-K42 HydrophobicContact CD1-CD 3.79Å; L25-K42 HydrophobicContact CD2-CB 4.45Å; Q26-K42 WeakPolarHBondContact O-CA 3.42Å; I27-K42 HydrophobicContact CG1-CG 4.23Å; K42-I52 WeakPolarHBondContact O-CD1 3.47Å; K42-D54 IonicContact NZ-OD2 2.67Å; K42-D54 PolarHBondContact NZ-OD2 2.87Å; K42-L57 HydrophobicContact CD-CD1 4.41Å; K42-L57 HydrophobicContact CG-CB 4.29Å; K42-L57 HydrophobicContact CG-CD1 3.6Å; K42-L57 HydrophobicContact CG-CG 4.41Å
43	I	80.6	Confident	76	Confident	58 Å²	58	80 Å²	80	30%	0.297	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.8	166.9	66.9	164.3	0	0	0	109.3	L25 Q26 K28	L25-I43 CarbonylContact C-O 3.58Å; L25-I43 WeakPolarHBondContact CA-O 3.32Å; Q26-I43 HydrophobicContact CG-CD1 4.18Å; Q26-I43 HydrophobicContact CG-CG1 3.5Å; Q26-I43 VanDerWaalsContact CG-CG1 3.5Å; Q26-I43 WeakPolarHBondContact CG-O 3.27Å; Q26-I43 PolarHBondContact N-O 3.31Å; Q26-I43 PolarHBondContact O-N 2.81Å; K28-I43 HydrophobicContact CD-CD1 3.51Å; K28-I43 HydrophobicContact CD-CG1 4.19Å; K28-I43 VanDerWaalsContact CE-CD1 3.45Å; K28-I43 HydrophobicContact CG-CD1 4.05Å; K28-I43 HydrophobicContact CG-CG1 4.18Å
44	P	79.8	Confident	75.6	Confident	34 Å²	34	80 Å²	80	22%	0.221	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	144.9	168.7	-25	37.8	0	0	0	111.4	D24 Q26 D46	D24-P44 CarbonylContact O-C 3.49Å; D24-P44 WeakPolarHBondContact O-CA 3.33Å; Q26-P44 PolarHBondContact NE2-O 2.86Å; P44-D46 VanDerWaalsContact CB-O 3.24Å; P44-D46 WeakPolarHBondContact CB-O 3.4Å
45	K	74.7	Confident	75.4	Confident	116 Å²	116	80.8 Å²	80.8	50%	0.504	42%	0.418	S	S	.	.	S	Bend	trans	-69.6	-40.4	174.6	-77.7	176	-178.1	162	0	111.8	N23 D24 L25 Q26	N23-K45 PolarHBondContact O-NZ 2.78Å; D24-K45 PolarHBondContact O-N 3.28Å; L25-K45 VanDerWaalsContact O-CE 3.29Å; L25-K45 WeakPolarHBondContact O-CE 3.39Å; Q26-K45 HydrophobicContact CB-CG 3.79Å; Q26-K45 HydrophobicContact CG-CG 3.97Å
46	D	70.7	Confident	75.4	Confident	101 Å²	101	79.8 Å²	79.8	54%	0.54	41%	0.411	S	S	.	.	S	Bend	trans	-100	158.8	174.3	-68.2	-22.2	0	0	0	110	P44 R48	P44-D46 VanDerWaalsContact CB-O 3.24Å; P44-D46 WeakPolarHBondContact CB-O 3.4Å; D46-R48 HydrophobicContact CB-CG 4.09Å; D46-R48 PolarHBondContact O-N 3.3Å
47	D	68.9	Low	75.4	Confident	180 Å²	180	79.3 Å²	79.3	96%	0.963	40%	0.403	S	S	*	.	S	Bend	trans	-64.4	18.1	174.5	-69.9	-24.9	0	0	0	114.4
48	R	67.3	Low	75.3	Confident	180 Å²	180	82.4 Å²	82.4	68%	0.679	42%	0.423	S	S	*	.			trans	-69.8	132.3	177	-68.7	-175.5	-176.6	-170.4	2.2	110.5	D46 C50	D46-R48 HydrophobicContact CB-CG 4.09Å; D46-R48 PolarHBondContact O-N 3.3Å; R48-C50 PolarHBondContact O-N 3.18Å
49	T	66.8	Low	75.4	Confident	136 Å²	136	85.9 Å²	85.9	83%	0.834	44%	0.437	S	S	*	.			trans	-81.4	92.6	170.8	55	0	0	0	0	109.2
50	C	77.6	Confident	75.3	Confident	25 Å²	25	85 Å²	85	17%	0.169	44%	0.436	C	S	.	.			trans	-117	151.5	169.6	57.9	0	0	0	0	109.7	E18 C20 R48	E18-C50 WeakPolarHBondContact O-CA 3.28Å; E18-C50 WeakPolarHBondContact O-CB 3.4Å; C20-C50 HydrophobicContact CB-CB 3.98Å; C20-C50 WeakPolarHBondContact CB-SG 3.32Å; C20-C50 WeakPolarHBondContact SG-CB 3.34Å; C20-C50 PolarHBondContact SG-O 3.46Å; C20-C50 VanDerWaalsContact SG-O 3.36Å; C20-C50 CovalentContact SG-SG 2.02Å; C20-C50 PolarHBondContact SG-SG 2.83Å; R48-C50 PolarHBondContact O-N 3.18Å
51	D	73.2	Confident	75	Confident	81 Å²	81	85.1 Å²	85.1	43%	0.433	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-84	121.6	-178.2	-82.2	4.8	0	0	0	110.7	S17 E18 S19 C20 N53	S17-D51 VanDerWaalsContact CB-OD1 3.24Å; S17-D51 WeakPolarHBondContact CB-OD1 3.35Å; S17-D51 WeakPolarHBondContact CB-OD2 3.46Å; S17-D51 PolarHBondContact OG-N 3.49Å; S17-D51 VanDerWaalsContact OG-N 3.14Å; S17-D51 PolarHBondContact OG-OD1 2.98Å; E18-D51 PolarHBondContact O-N 3.22Å; S19-D51 WeakPolarHBondContact CA-O 3.49Å; C20-D51 PolarHBondContact N-O 2.88Å; C20-D51 VanDerWaalsContact N-O 3.14Å; D51-N53 PolarHBondContact O-N 3.42Å
52	I	72.3	Confident	74.4	Confident	72 Å²	72	86.7 Å²	86.7	37%	0.369	45%	0.448	S	S	.	.			trans	-84.2	94.4	175.5	-52.9	177.7	0	0	0	108.1	L25 K42 D54	L25-I52 HydrophobicContact CD2-CD1 4.18Å; L25-I52 HydrophobicContact CD2-CG1 4.11Å; K42-I52 WeakPolarHBondContact O-CD1 3.47Å; I52-D54 VanDerWaalsContact C-N 3.35Å
53	N	69.4	Low	73.9	Confident	122 Å²	122	89.2 Å²	89.2	65%	0.652	46%	0.463	S	S	*	.			trans	-85.5	-6.7	178	-69.4	-25.1	0	0	0	113.6	D51 L55	D51-N53 PolarHBondContact O-N 3.42Å; N53-L55 PolarHBondContact O-N 3.27Å
54	D	67.4	Low	73.6	Confident	64 Å²	64	87 Å²	87	34%	0.342	45%	0.453	S	S	.	.			trans	-80.9	111.3	-179.8	-178.1	11	0	0	0	111.6	K42 I52 S56	K42-D54 IonicContact NZ-OD2 2.67Å; K42-D54 PolarHBondContact NZ-OD2 2.87Å; I52-D54 VanDerWaalsContact C-N 3.35Å; D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 VanDerWaalsContact OD1-CB 3.22Å; D54-S56 WeakPolarHBondContact OD1-CB 3.48Å; D54-S56 PolarHBondContact OD1-N 3.02Å; D54-S56 PolarHBondContact OD1-OG 3.25Å; D54-S56 PolarHBondContact OD2-OG 3.47Å
55	L	66.3	Low	73.4	Confident	169 Å²	169	92.8 Å²	92.8	89%	0.885	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	0.6	179.4	-74.9	154.9	0	0	0	114	N53 L57	N53-L55 PolarHBondContact O-N 3.27Å; L55-L57 PolarHBondContact O-N 3.35Å
56	S	74.8	Confident	73.7	Confident	68 Å²	68	88.9 Å²	88.9	48%	0.476	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.4	178.3	68.4	0	0	0	0	113	D54	D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 VanDerWaalsContact OD1-CB 3.22Å; D54-S56 WeakPolarHBondContact OD1-CB 3.48Å; D54-S56 PolarHBondContact OD1-N 3.02Å; D54-S56 PolarHBondContact OD1-OG 3.25Å; D54-S56 PolarHBondContact OD2-OG 3.47Å
57	L	73.1	Confident	74.4	Confident	16 Å²	16	85.8 Å²	85.8	8%	0.084	45%	0.446	C	S	.	.			trans	-127.5	143.3	173.3	-68.8	-179.8	0	0	0	109.2	I27 L40 K42 L55 R59	I27-L57 HydrophobicContact CD1-CD1 4.36Å; I27-L57 HydrophobicContact CG1-CD1 4.2Å; I27-L57 HydrophobicContact CG2-CD1 4.09Å; L40-L57 HydrophobicContact CB-CD1 4.32Å; L40-L57 HydrophobicContact CB-CD2 3.66Å; K42-L57 HydrophobicContact CD-CD1 4.41Å; K42-L57 HydrophobicContact CG-CB 4.29Å; K42-L57 HydrophobicContact CG-CD1 3.6Å; K42-L57 HydrophobicContact CG-CG 4.41Å; L55-L57 PolarHBondContact O-N 3.35Å; L57-R59 HydrophobicContact CD2-CB 3.35Å
58	P	79.7	Confident	75.3	Confident	81 Å²	81	77.2 Å²	77.2	53%	0.526	40%	0.4	S	S	.	.	S	Bend	cis	-82.7	136.2	17.6	31	-35.2	0	0	0	115.8	W39 L40 F41	W39-P58 HydrophobicContact CE3-CB 4.1Å; W39-P58 HydrophobicContact CZ3-CB 4.43Å; L40-P58 WeakPolarHBondContact O-CA 3.17Å; F41-P58 HydrophobicContact CD1-CB 3.51Å; F41-P58 HydrophobicContact CD1-CG 4.33Å; F41-P58 HydrophobicContact CE1-CB 3.41Å; F41-P58 VanDerWaalsContact CE1-CB 3.41Å; F41-P58 HydrophobicContact CE1-CG 4.14Å; F41-P58 HydrophobicContact CG-CB 4.38Å; F41-P58 HydrophobicContact CZ-CB 4.24Å
59	R	83.7	Confident	76.4	Confident	94 Å²	94	71.6 Å²	71.6	36%	0.355	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.4	177.5	-178.5	178.1	80.4	-178.4	7.2	109.9	L40 L57 L77 E79	L40-R59 PolarHBondContact N-O 3.08Å; L40-R59 PolarHBondContact O-N 3.14Å; L57-R59 HydrophobicContact CD2-CB 3.35Å; R59-L77 PolarHBondContact NH2-O 3.49Å; R59-E79 IonicContact NH2-OE1 3.63Å
60	K	81	Confident	77.4	Confident	89 Å²	89	66.7 Å²	66.7	39%	0.387	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.3	169.5	-169.2	-172.4	174.6	-149.1	0	109.4	N37 W39 D62	N37-K60 HydrophobicContact CB-CD 4.46Å; N37-K60 HydrophobicContact CB-CG 4.28Å; N37-K60 VanDerWaalsContact CG-NZ 3.26Å; N37-K60 VanDerWaalsContact ND2-CE 3.34Å; N37-K60 WeakPolarHBondContact ND2-CE 3.44Å; N37-K60 PolarHBondContact ND2-NZ 3.39Å; N37-K60 VanDerWaalsContact ND2-NZ 3.14Å; N37-K60 PolarHBondContact OD1-NZ 2.9Å; W39-K60 HydrophobicContact CD2-CB 4.15Å; W39-K60 HydrophobicContact CD2-CG 4.46Å; W39-K60 HydrophobicContact CE3-CB 4.03Å; W39-K60 HydrophobicContact CH2-CB 3.91Å; W39-K60 HydrophobicContact CZ2-CB 4.01Å; W39-K60 HydrophobicContact CZ2-CD 4.3Å; W39-K60 HydrophobicContact CZ2-CG 4.22Å; W39-K60 HydrophobicContact CZ3-CB 3.92Å; K60-D62 VanDerWaalsContact CE-OD1 3.25Å; K60-D62 WeakPolarHBondContact CE-OD1 3.24Å; K60-D62 IonicContact NZ-OD1 2.76Å; K60-D62 PolarHBondContact NZ-OD1 2.93Å; K60-D62 VanDerWaalsContact NZ-OD1 3.07Å
61	V	78.9	Confident	78	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.024	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.9	175.9	172.1	0	0	0	0	107.9	N37 R38 L40 E79	N37-V61 CarbonylContact C-O 3.51Å; N37-V61 VanDerWaalsContact CA-O 3.25Å; N37-V61 WeakPolarHBondContact CA-O 3.49Å; R38-V61 HydrophobicContact CG-CB 4.15Å; R38-V61 PolarHBondContact N-O 2.91Å; R38-V61 PolarHBondContact O-N 3.34Å; L40-V61 HydrophobicContact CD1-CG2 3.68Å; L40-V61 HydrophobicContact CG-CG2 3.9Å; V61-E79 HydrophobicContact CG1-CG 4.49Å; V61-E79 WeakPolarHBondContact CG1-OE1 3.13Å; V61-E79 WeakPolarHBondContact CG2-OE1 3.06Å
62	D	73.2	Confident	79	Confident	110 Å²	110	63.3 Å²	63.3	59%	0.588	34%	0.337	S	S	*	.	S	Bend	trans	-86.7	-2.5	-172.9	-60	-37	0	0	0	113.5	G36 N37 K60	G36-D62 CarbonylContact O-C 3.47Å; N37-D62 WeakPolarHBondContact OD1-CA 3.04Å; N37-D62 PolarHBondContact OD1-OD1 3.43Å; K60-D62 VanDerWaalsContact CE-OD1 3.25Å; K60-D62 WeakPolarHBondContact CE-OD1 3.24Å; K60-D62 IonicContact NZ-OD1 2.76Å; K60-D62 PolarHBondContact NZ-OD1 2.93Å; K60-D62 VanDerWaalsContact NZ-OD1 3.07Å
63	N	71.8	Confident	79.8	Confident	73 Å²	73	61.2 Å²	61.2	39%	0.39	33%	0.326	S	S	.	.			trans	-117.3	94.9	-177.3	-166.5	4.2	0	0	0	113.1	E65	N63-E65 PolarHBondContact OD1-N 3.05Å
64	C	75	Confident	80.7	Confident	12 Å²	12	55.5 Å²	55.5	8%	0.081	30%	0.296	C	S	.	.			trans	-90.8	-6.2	175.5	-95.4	0	0	0	0	115.7	C32 G36 I66	C32-C64 HydrophobicContact CB-CB 3.69Å; C32-C64 WeakPolarHBondContact CB-SG 3.3Å; C32-C64 WeakPolarHBondContact SG-CB 3.4Å; C32-C64 CovalentContact SG-SG 2.02Å; C32-C64 PolarHBondContact SG-SG 3.11Å; G36-C64 WeakPolarHBondContact O-CB 3.46Å; G36-C64 PolarHBondContact O-N 3.07Å; G36-C64 VanDerWaalsContact O-N 3.16Å; C64-I66 VanDerWaalsContact C-N 3.3Å; C64-I66 PolarHBondContact O-N 2.75Å
65	E	74.4	Confident	81.6	Confident	156 Å²	156	54.3 Å²	54.3	73%	0.729	29%	0.289	S	S	*	.			trans	-86.7	2.3	-169.7	-63.7	-173.7	169.9	0	0	114	N63 T67	N63-E65 PolarHBondContact OD1-N 3.05Å; E65-T67 PolarHBondContact O-N 3.44Å
66	I	82.3	Confident	82.3	Confident	34 Å²	34	47 Å²	47	17%	0.174	25%	0.251	C	S	.	.			trans	-69.1	122.2	-177.5	-58.3	168.6	0	0	0	109.8	C64 L74 E79 P245	C64-I66 VanDerWaalsContact C-N 3.3Å; C64-I66 PolarHBondContact O-N 2.75Å; I66-L74 HydrophobicContact CB-CD1 4.43Å; I66-L74 HydrophobicContact CG2-CD1 3.76Å; I66-E79 HydrophobicContact CD1-CB 4.23Å; I66-P245 WeakPolarHBondContact O-CD 3.05Å; I66-P245 WeakPolarHBondContact O-CG 3.5Å
67	T	84.3	Confident	82.5	Confident	36 Å²	36	47.8 Å²	47.8	22%	0.221	25%	0.249	C	C	.	.			trans	-113.1	140.1	169.2	55.1	0	0	0	0	109.1	E65 D93 L152 K153	E65-T67 PolarHBondContact O-N 3.44Å; T67-D93 HydrophobicContact CG2-CB 4.34Å; T67-L152 HydrophobicContact CG2-CB 4Å; T67-L152 HydrophobicContact CG2-CD1 4.14Å; T67-K153 HydrophobicContact CG2-CD 4.19Å; T67-K153 HydrophobicContact CG2-CG 4.4Å; T67-K153 PolarHBondContact OG1-NZ 3.11Å
68	C	89	Confident	83	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.			trans	-110.8	133.5	177.6	-66.4	0	0	0	0	109.7	M72 C81 G92 D93 P245	C68-M72 HydrophobicContact CB-CB 4.42Å; C68-C81 WeakPolarHBondContact CA-SG 3.45Å; C68-C81 HydrophobicContact CB-CB 3.83Å; C68-C81 WeakPolarHBondContact CB-SG 3.42Å; C68-C81 VanDerWaalsContact SG-CA 3.58Å; C68-C81 WeakPolarHBondContact SG-CB 3.11Å; C68-C81 CovalentContact SG-SG 2.04Å; C68-C81 PolarHBondContact SG-SG 3.06Å; C68-G92 CarbonylContact O-C 3.54Å; C68-G92 WeakPolarHBondContact O-CA 3.49Å; C68-D93 WeakPolarHBondContact O-CB 3.4Å; C68-D93 PolarHBondContact O-N 3.42Å; C68-P245 HydrophobicContact CB-CB 3.9Å
69	P	89.3	Confident	83	Confident	61 Å²	61	48.4 Å²	48.4	40%	0.396	25%	0.25	S	S	.	.			trans	-68.3	163	178	31.2	-36.1	0	0	0	111.2	M72	P69-M72 HydrophobicContact CG-CB 4.49Å; P69-M72 HydrophobicContact CG-CG 4.29Å; P69-M72 HydrophobicContact CG-SD 3.69Å; P69-M72 WeakPolarHBondContact O-CB 3.26Å; P69-M72 PolarHBondContact O-N 3.03Å
70	S	89.5	Confident	83.2	Confident	33 Å²	33	49 Å²	49	23%	0.231	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	142.9	174.9	-47.2	0	0	0	0	112.3	M72 T91	S70-M72 VanDerWaalsContact C-N 3.26Å; S70-M72 PolarHBondContact O-N 3.16Å; S70-T91 PolarHBondContact OG-O 2.92Å
71	G	89.8	Confident	83.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	0.4	-170.7	0	0	0	0	0	115	C84 S90 K262 A263	G71-C84 WeakPolarHBondContact O-CB 2.82Å; G71-C84 PolarHBondContact O-N 3.28Å; G71-S90 PolarHBondContact N-O 3.19Å; G71-K262 WeakPolarHBondContact O-CA 3.44Å; G71-A263 WeakPolarHBondContact CA-O 3.49Å
72	M	92.8	Very high	84.3	Confident	35 Å²	35	50 Å²	50	17%	0.172	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.8	174.1	-55.3	-179.8	102.6	0	0	110.9	C68 P69 S70 C81 E82 V83 S90 K262	C68-M72 HydrophobicContact CB-CB 4.42Å; P69-M72 HydrophobicContact CG-CB 4.49Å; P69-M72 HydrophobicContact CG-CG 4.29Å; P69-M72 HydrophobicContact CG-SD 3.69Å; P69-M72 WeakPolarHBondContact O-CB 3.26Å; P69-M72 PolarHBondContact O-N 3.03Å; S70-M72 VanDerWaalsContact C-N 3.26Å; S70-M72 PolarHBondContact O-N 3.16Å; M72-C81 HydrophobicContact CB-CB 4.18Å; M72-C81 WeakPolarHBondContact CE-O 3.42Å; M72-C81 HydrophobicContact SD-CB 4.35Å; M72-E82 CarbonylContact C-O 3.54Å; M72-E82 WeakPolarHBondContact CA-O 3.06Å; M72-E82 VanDerWaalsContact CB-O 3.27Å; M72-E82 WeakPolarHBondContact CB-O 3.37Å; M72-V83 HydrophobicContact CE-CG2 3.44Å; M72-V83 VanDerWaalsContact CE-CG2 3.44Å; M72-V83 HydrophobicContact CG-CG2 4.32Å; M72-S90 WeakPolarHBondContact O-CB 3.46Å; M72-S90 PolarHBondContact O-OG 2.81Å; M72-K262 HydrophobicContact CG-CD 4.45Å; M72-K262 HydrophobicContact CG-CG 4.23Å
73	H	89.9	Confident	85.2	Confident	28 Å²	28	47.9 Å²	47.9	13%	0.13	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155	175.4	73.8	99.5	0	0	0	110.6	N75 C81 E82 V246 T247 C249	H73-N75 PolarHBondContact O-N 3.1Å; H73-C81 CarbonylContact O-C 3.56Å; H73-C81 WeakPolarHBondContact O-CA 3.04Å; H73-E82 PolarHBondContact CD2-O 2.81Å; H73-E82 IonicContact CE1-OE2 3.03Å; H73-E82 PolarHBondContact N-O 3.05Å; H73-E82 PolarHBondContact O-N 3.47Å; H73-V246 WeakPolarHBondContact CA-O 3.09Å; H73-V246 HydrophobicContact CB-CG2 4.21Å; H73-V246 WeakPolarHBondContact CB-O 3.41Å; H73-T247 PolarHBondContact ND1-O 3.33Å; H73-C249 PolarHBondContact CD2-SG 2.64Å
74	L	88	Confident	86.2	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.5	177.4	-179.4	59.3	0	0	0	109.9	I66 L76 P245 V246 T247	I66-L74 HydrophobicContact CB-CD1 4.43Å; I66-L74 HydrophobicContact CG2-CD1 3.76Å; L74-L76 PolarHBondContact O-N 3.4Å; L74-P245 HydrophobicContact CB-CB 4.05Å; L74-P245 HydrophobicContact CB-CG 3.83Å; L74-P245 HydrophobicContact CD2-CG 3.7Å; L74-P245 HydrophobicContact CG-CG 4.4Å; L74-V246 PolarHBondContact N-O 3.23Å; L74-T247 WeakPolarHBondContact O-CA 3.22Å
75	N	86.9	Confident	87.1	Confident	39 Å²	39	47.1 Å²	47.1	21%	0.209	26%	0.26	C	S	.	.			trans	-75.7	114.3	168.8	-177.6	-41.6	0	0	0	109.1	H73 L77 S78 E79 N80 E82	H73-N75 PolarHBondContact O-N 3.1Å; N75-L77 PolarHBondContact O-N 3.01Å; N75-L77 WeakPolarHBondContact OD1-CB 3.34Å; N75-L77 PolarHBondContact OD1-N 3.35Å; N75-S78 VanDerWaalsContact CB-OG 3.26Å; N75-S78 WeakPolarHBondContact CB-OG 3.45Å; N75-S78 VanDerWaalsContact CG-OG 3.25Å; N75-S78 PolarHBondContact OD1-N 2.99Å; N75-S78 VanDerWaalsContact OD1-N 3.16Å; N75-S78 PolarHBondContact OD1-OG 3.42Å; N75-E79 WeakPolarHBondContact O-CA 3.33Å; N75-E79 PolarHBondContact O-N 3.26Å; N75-N80 PolarHBondContact N-O 3.37Å; N75-E82 HydrophobicContact CB-CG 4.21Å; N75-E82 WeakPolarHBondContact CB-OE1 3.46Å; N75-E82 PolarHBondContact ND2-OE1 3.16Å; N75-E82 PolarHBondContact ND2-OE2 3.42Å
76	L	80.8	Confident	88	Confident	14 Å²	14	40.8 Å²	40.8	7%	0.073	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.9	-174.8	-66.9	177.5	0	0	0	113.6	I27 L40 L74 T247	I27-L76 HydrophobicContact CB-CD1 4.39Å; I27-L76 HydrophobicContact CG2-CB 4.13Å; I27-L76 HydrophobicContact CG2-CD1 3.87Å; L40-L76 HydrophobicContact CD1-CB 4.48Å; L40-L76 WeakPolarHBondContact CD1-O 3.48Å; L40-L76 HydrophobicContact CD2-CB 4.1Å; L40-L76 HydrophobicContact CD2-CD1 4.32Å; L40-L76 HydrophobicContact CD2-CD2 4.13Å; L40-L76 HydrophobicContact CD2-CG 4.42Å; L74-L76 PolarHBondContact O-N 3.4Å; L76-T247 HydrophobicContact CD1-CG2 4.09Å; L76-T247 HydrophobicContact CD2-CG2 3.78Å; L76-T247 HydrophobicContact CG-CG2 3.95Å
77	L	79.8	Confident	88.4	Confident	85 Å²	85	39.2 Å²	39.2	45%	0.445	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-48	-179.6	-72.1	173.9	0	0	0	111.9	I27 R59 N75	I27-L77 HydrophobicContact CD1-CD1 3.52Å; I27-L77 HydrophobicContact CD1-CD2 3.53Å; I27-L77 HydrophobicContact CD1-CG 3.4Å; I27-L77 VanDerWaalsContact CD1-CG 3.4Å; R59-L77 PolarHBondContact NH2-O 3.49Å; N75-L77 PolarHBondContact O-N 3.01Å; N75-L77 WeakPolarHBondContact OD1-CB 3.34Å; N75-L77 PolarHBondContact OD1-N 3.35Å
78	S	82	Confident	88.8	Confident	50 Å²	50	38.9 Å²	38.9	35%	0.35	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15	-177.1	68.7	0	0	0	0	113.6	N75 N80 E82	N75-S78 VanDerWaalsContact CB-OG 3.26Å; N75-S78 WeakPolarHBondContact CB-OG 3.45Å; N75-S78 VanDerWaalsContact CG-OG 3.25Å; N75-S78 PolarHBondContact OD1-N 2.99Å; N75-S78 VanDerWaalsContact OD1-N 3.16Å; N75-S78 PolarHBondContact OD1-OG 3.42Å; S78-N80 PolarHBondContact O-N 2.88Å; S78-N80 VanDerWaalsContact O-N 3.16Å; S78-N80 PolarHBondContact O-ND2 3.4Å; S78-E82 PolarHBondContact OG-OE1 3.07Å
79	E	80.1	Confident	88.9	Confident	60 Å²	60	42.2 Å²	42.2	28%	0.28	24%	0.236	S	C	.	.			trans	57.1	23.6	-176.5	-62.3	178.2	-167	0	0	113.4	R59 V61 I66 N75	R59-E79 IonicContact NH2-OE1 3.63Å; V61-E79 HydrophobicContact CG1-CG 4.49Å; V61-E79 WeakPolarHBondContact CG1-OE1 3.13Å; V61-E79 WeakPolarHBondContact CG2-OE1 3.06Å; I66-E79 HydrophobicContact CD1-CB 4.23Å; N75-E79 WeakPolarHBondContact O-CA 3.33Å; N75-E79 PolarHBondContact O-N 3.26Å
80	N	88.1	Confident	89	Confident	106 Å²	106	39.4 Å²	39.4	57%	0.567	22%	0.218	S	C	*	.	S	Bend	trans	-115.8	153.5	177.6	-70.7	-41.6	0	0	0	111.2	N75 S78	N75-N80 PolarHBondContact N-O 3.37Å; S78-N80 PolarHBondContact O-N 2.88Å; S78-N80 VanDerWaalsContact O-N 3.16Å; S78-N80 PolarHBondContact O-ND2 3.4Å
81	C	90.1	Very high	89	Confident	40 Å²	40	39.3 Å²	39.3	27%	0.27	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118	172.4	-60.3	0	0	0	0	110.2	C68 M72 H73	C68-C81 WeakPolarHBondContact CA-SG 3.45Å; C68-C81 HydrophobicContact CB-CB 3.83Å; C68-C81 WeakPolarHBondContact CB-SG 3.42Å; C68-C81 VanDerWaalsContact SG-CA 3.58Å; C68-C81 WeakPolarHBondContact SG-CB 3.11Å; C68-C81 CovalentContact SG-SG 2.04Å; C68-C81 PolarHBondContact SG-SG 3.06Å; M72-C81 HydrophobicContact CB-CB 4.18Å; M72-C81 WeakPolarHBondContact CE-O 3.42Å; M72-C81 HydrophobicContact SD-CB 4.35Å; H73-C81 CarbonylContact O-C 3.56Å; H73-C81 WeakPolarHBondContact O-CA 3.04Å
82	E	92.6	Very high	88.9	Confident	74 Å²	74	39.3 Å²	39.3	35%	0.346	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145.9	179.9	-73.4	172.7	-172	0	0	110.7	M72 H73 N75 S78	M72-E82 CarbonylContact C-O 3.54Å; M72-E82 WeakPolarHBondContact CA-O 3.06Å; M72-E82 VanDerWaalsContact CB-O 3.27Å; M72-E82 WeakPolarHBondContact CB-O 3.37Å; H73-E82 PolarHBondContact CD2-O 2.81Å; H73-E82 IonicContact CE1-OE2 3.03Å; H73-E82 PolarHBondContact N-O 3.05Å; H73-E82 PolarHBondContact O-N 3.47Å; N75-E82 HydrophobicContact CB-CG 4.21Å; N75-E82 WeakPolarHBondContact CB-OE1 3.46Å; N75-E82 PolarHBondContact ND2-OE1 3.16Å; N75-E82 PolarHBondContact ND2-OE2 3.42Å; S78-E82 PolarHBondContact OG-OE1 3.07Å
83	V	93.1	Very high	88.7	Confident	66 Å²	66	38.4 Å²	38.4	40%	0.4	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	134.4	-177.4	175.4	0	0	0	0	110.5	M72 E261 K262	M72-V83 HydrophobicContact CE-CG2 3.44Å; M72-V83 VanDerWaalsContact CE-CG2 3.44Å; M72-V83 HydrophobicContact CG-CG2 4.32Å; V83-E261 HydrophobicContact CG1-CB 4.23Å; V83-K262 HydrophobicContact CG1-CB 3.61Å; V83-K262 HydrophobicContact CG1-CG 4.17Å
84	C	92.7	Very high	88.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-69.3	128.1	172.3	-69.3	0	0	0	0	111.5	G71 S90 C249 K262	G71-C84 WeakPolarHBondContact O-CB 2.82Å; G71-C84 PolarHBondContact O-N 3.28Å; C84-S90 WeakPolarHBondContact SG-CB 3.08Å; C84-C249 WeakPolarHBondContact CA-SG 2.96Å; C84-C249 HydrophobicContact CB-CB 3.84Å; C84-C249 WeakPolarHBondContact CB-SG 3.21Å; C84-C249 WeakPolarHBondContact SG-CB 3.36Å; C84-C249 CovalentContact SG-SG 2.03Å; C84-C249 PolarHBondContact SG-SG 2.91Å; C84-K262 PolarHBondContact O-N 2.95Å
85	P	93.2	Very high	88.7	Confident	70 Å²	70	40.4 Å²	40.4	46%	0.455	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-70.2	158.6	178.2	29	-35	0	0	0	111.8	G87 T88	P85-G87 PolarHBondContact O-N 3.44Å; P85-T88 VanDerWaalsContact CD-OG1 3.31Å; P85-T88 WeakPolarHBondContact CD-OG1 3.22Å; P85-T88 HydrophobicContact CG-CG2 4.42Å; P85-T88 PolarHBondContact O-N 2.02Å; P85-T88 VanDerWaalsContact O-N 3.07Å; P85-T88 PolarHBondContact O-OG1 2.87Å
86	S	92.7	Very high	88.8	Confident	23 Å²	23	41.4 Å²	41.4	16%	0.161	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	138.3	172.7	61.2	0	0	0	0	111.7	T88 G258 K280	S86-T88 VanDerWaalsContact C-N 3.31Å; S86-G258 CarbonylContact C-O 3.52Å; S86-K280 VanDerWaalsContact OG-CD 3.3Å; S86-K280 WeakPolarHBondContact OG-CD 3.5Å; S86-K280 WeakPolarHBondContact OG-CE 3.34Å; S86-K280 PolarHBondContact OG-NZ 2.92Å
87	G	91.2	Very high	89.2	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-7.5	-174.1	0	0	0	0	0	114.1	P85 C252 G258	P85-G87 PolarHBondContact O-N 3.44Å; G87-C252 PolarHBondContact O-N 2.87Å; G87-C252 PolarHBondContact O-SG 3.3Å; G87-G258 PolarHBondContact N-O 2.9Å
88	T	93	Very high	89.4	Confident	28 Å²	28	40.8 Å²	40.8	17%	0.172	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	161.5	173.9	71	0	0	0	0	110.5	P85 S86 C249 T250	P85-T88 VanDerWaalsContact CD-OG1 3.31Å; P85-T88 WeakPolarHBondContact CD-OG1 3.22Å; P85-T88 HydrophobicContact CG-CG2 4.42Å; P85-T88 PolarHBondContact O-N 2.02Å; P85-T88 VanDerWaalsContact O-N 3.07Å; P85-T88 PolarHBondContact O-OG1 2.87Å; S86-T88 VanDerWaalsContact C-N 3.31Å; T88-C249 WeakPolarHBondContact OG1-CB 3.21Å; T88-T250 CarbonylContact C-O 3.57Å; T88-T250 VanDerWaalsContact CA-O 3.25Å; T88-T250 WeakPolarHBondContact CA-O 3.42Å; T88-T250 WeakPolarHBondContact CB-O 3.4Å
89	Y	91.9	Very high	89.4	Confident	70 Å²	70	44.7 Å²	44.7	28%	0.275	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164	176.7	76.1	-75.8	0	0	0	111.2	T91 C249 T250 A263 D264 C266	Y89-T91 HydrophobicContact CE2-CG2 4.36Å; Y89-C249 WeakPolarHBondContact O-CA 3.34Å; Y89-T250 VanDerWaalsContact CD1-O 3.23Å; Y89-T250 WeakPolarHBondContact CD1-O 3.13Å; Y89-T250 HydrophobicContact CE1-CG2 3.75Å; Y89-T250 PolarHBondContact N-O 3.39Å; Y89-T250 PolarHBondContact O-N 3.05Å; Y89-A263 VanDerWaalsContact CA-O 3.23Å; Y89-A263 WeakPolarHBondContact CA-O 3.21Å; Y89-A263 WeakPolarHBondContact CB-O 3.43Å; Y89-D264 VanDerWaalsContact CD2-O 3.31Å; Y89-D264 WeakPolarHBondContact CD2-O 3.4Å; Y89-C266 WeakPolarHBondContact CD1-SG 3.37Å
90	S	91.6	Very high	89.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.014	22%	0.224	C	C	.	.			trans	-144.8	132.3	171.7	166.2	0	0	0	0	110	G71 M72 C84 G92 V246 A263 D264	G71-S90 PolarHBondContact N-O 3.19Å; M72-S90 WeakPolarHBondContact O-CB 3.46Å; M72-S90 PolarHBondContact O-OG 2.81Å; C84-S90 WeakPolarHBondContact SG-CB 3.08Å; S90-G92 PolarHBondContact O-N 3.44Å; S90-G92 PolarHBondContact OG-N 3.27Å; S90-V246 WeakPolarHBondContact OG-CG2 3.48Å; S90-A263 PolarHBondContact N-O 2.88Å; S90-A263 VanDerWaalsContact N-O 3.07Å; S90-D264 WeakPolarHBondContact O-CA 3.16Å
91	T	87.8	Confident	89.3	Confident	31 Å²	31	42.8 Å²	42.8	19%	0.19	23%	0.229	C	C	.	.			trans	-74.6	-13.3	170.7	57.5	0	0	0	0	112.2	S70 Y89 M94	S70-T91 PolarHBondContact OG-O 2.92Å; Y89-T91 HydrophobicContact CE2-CG2 4.36Å; T91-M94 WeakPolarHBondContact CB-O 3.1Å; T91-M94 WeakPolarHBondContact O-CB 3.49Å; T91-M94 PolarHBondContact O-N 2.99Å; T91-M94 PolarHBondContact OG1-O 2.99Å
92	G	88.2	Confident	89.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.			trans	73.1	-122.5	178.8	0	0	0	0	0	112.1	C68 S90 M94 P245 V246	C68-G92 CarbonylContact O-C 3.54Å; C68-G92 WeakPolarHBondContact O-CA 3.49Å; S90-G92 PolarHBondContact O-N 3.44Å; S90-G92 PolarHBondContact OG-N 3.27Å; G92-M94 PolarHBondContact O-N 2.86Å; G92-P245 WeakPolarHBondContact O-CA 3.47Å; G92-V246 PolarHBondContact O-N 3.45Å
93	D	88.2	Confident	89	Confident	16 Å²	16	44 Å²	44	9%	0.086	24%	0.241	C	C	.	.	S	Bend	trans	-93.7	28.8	176	65.9	-28.6	0	0	0	112.3	T67 C68 K153 G242 T243	T67-D93 HydrophobicContact CG2-CB 4.34Å; C68-D93 WeakPolarHBondContact O-CB 3.4Å; C68-D93 PolarHBondContact O-N 3.42Å; D93-K153 WeakPolarHBondContact OD2-CE 3.16Å; D93-K153 IonicContact OD2-NZ 2.85Å; D93-K153 PolarHBondContact OD2-NZ 2.88Å; D93-G242 PolarHBondContact O-N 2.84Å; D93-T243 WeakPolarHBondContact CB-O 3.09Å; D93-T243 PolarHBondContact O-N 3.28Å; D93-T243 PolarHBondContact O-OG1 3.22Å; D93-T243 VanDerWaalsContact O-OG1 3.13Å
94	M	89.7	Confident	88.7	Confident	26 Å²	26	42.1 Å²	42.1	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.3	179.2	-171.5	-170.2	-60.3	0	0	110.4	T91 G92 R239 L240 T241 T243	T91-M94 WeakPolarHBondContact CB-O 3.1Å; T91-M94 WeakPolarHBondContact O-CB 3.49Å; T91-M94 PolarHBondContact O-N 2.99Å; T91-M94 PolarHBondContact OG1-O 2.99Å; G92-M94 PolarHBondContact O-N 2.86Å; M94-R239 HydrophobicContact CG-CG 3.95Å; M94-R239 VanDerWaalsContact SD-CD 3.58Å; M94-R239 HydrophobicContact SD-CG 3.51Å; M94-R239 VanDerWaalsContact SD-CG 3.51Å; M94-R239 VanDerWaalsContact SD-CZ 3.54Å; M94-R239 PolarHBondContact SD-NE 3.37Å; M94-R239 VanDerWaalsContact SD-NE 3.41Å; M94-L240 CarbonylContact C-O 3.53Å; M94-L240 VanDerWaalsContact CA-O 3.23Å; M94-L240 WeakPolarHBondContact CA-O 3.49Å; M94-L240 VanDerWaalsContact CG-O 3.32Å; M94-L240 WeakPolarHBondContact CG-O 3.39Å; M94-T241 HydrophobicContact CE-CG2 3.98Å; M94-T241 HydrophobicContact CG-CG2 4.17Å; M94-T243 PolarHBondContact N-OG1 2.75Å
95	L	89.5	Confident	88.3	Confident	47 Å²	47	50.1 Å²	50.1	25%	0.246	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.8	166.5	175	68.5	0	0	0	108.6	F106 M147 R239 L240 T243	L95-F106 HydrophobicContact CD1-CE1 3.92Å; L95-F106 HydrophobicContact CD1-CZ 3.98Å; L95-F106 HydrophobicContact CD2-CD2 4.07Å; L95-F106 HydrophobicContact CD2-CE1 4.3Å; L95-F106 HydrophobicContact CD2-CE2 3.79Å; L95-F106 HydrophobicContact CD2-CG 4.45Å; L95-F106 HydrophobicContact CD2-CZ 3.91Å; L95-F106 HydrophobicContact CG-CZ 4.28Å; L95-M147 HydrophobicContact CD2-SD 4.37Å; L95-R239 CarbonylContact O-C 3.5Å; L95-R239 VanDerWaalsContact O-CA 3.32Å; L95-R239 WeakPolarHBondContact O-CA 3.43Å; L95-L240 HydrophobicContact CB-CB 4.34Å; L95-L240 PolarHBondContact N-O 2.85Å; L95-L240 PolarHBondContact O-N 2.8Å; L95-T243 HydrophobicContact CB-CG2 4.13Å
96	E	88.8	Confident	88	Confident	61 Å²	61	50 Å²	50	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.8	178.2	-179.1	162.1	-127.5	0	0	111	T98 I238 R239	E96-T98 HydrophobicContact CG-CG2 3.93Å; E96-I238 CarbonylContact C-O 3.59Å; E96-I238 VanDerWaalsContact CA-O 3.31Å; E96-I238 WeakPolarHBondContact CA-O 3.32Å; E96-R239 IonicContact OE1-CZ 3.6Å; E96-R239 VanDerWaalsContact OE1-CZ 3.28Å; E96-R239 IonicContact OE1-NE 3.37Å; E96-R239 PolarHBondContact OE1-NE 3.14Å; E96-R239 IonicContact OE1-NH2 3.79Å; E96-R239 PolarHBondContact OE1-NH2 2.72Å; E96-R239 IonicContact OE2-CZ 3.27Å; E96-R239 IonicContact OE2-NE 3.05Å; E96-R239 IonicContact OE2-NH2 3.69Å; E96-R239 PolarHBondContact OE2-NH2 2.84Å
97	V	88.8	Confident	88	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.4	176	-171	0	0	0	0	108.1	W100 P104 F106 E237 I238	V97-W100 HydrophobicContact CB-CH2 4.35Å; V97-W100 HydrophobicContact CB-CZ2 4.25Å; V97-W100 HydrophobicContact CG1-CD2 4.07Å; V97-W100 HydrophobicContact CG1-CE3 4.05Å; V97-W100 HydrophobicContact CG1-CH2 3.78Å; V97-W100 HydrophobicContact CG1-CZ2 3.74Å; V97-W100 HydrophobicContact CG1-CZ3 3.92Å; V97-P104 HydrophobicContact CG1-CG 4.28Å; V97-F106 HydrophobicContact CG2-CE2 4.11Å; V97-F106 HydrophobicContact CG2-CZ 3.5Å; V97-E237 CarbonylContact O-C 3.58Å; V97-E237 WeakPolarHBondContact O-CA 3.48Å; V97-E237 WeakPolarHBondContact O-CB 3.5Å; V97-I238 PolarHBondContact N-O 2.97Å; V97-I238 PolarHBondContact O-N 2.95Å
98	T	83.7	Confident	88	Confident	72 Å²	72	52.1 Å²	52.1	44%	0.442	28%	0.276	S	S	.	.			trans	-123.7	-9.5	178.7	52.7	0	0	0	0	112.5	E96 E237	E96-T98 HydrophobicContact CG-CG2 3.93Å; T98-E237 HydrophobicContact CG2-CB 3.95Å
99	K	81.9	Confident	87.9	Confident	132 Å²	132	53 Å²	53	57%	0.574	28%	0.284	S	S	*	.			trans	-124	139.9	177.3	-66	-174.9	-179.3	-178.8	0	109.7
100	W	85.2	Confident	87.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-127.5	53.1	-172.4	-61.3	98.3	0	0	0	110.1	V97 P104 L107 P128 Q129 G130 L133 I235 K236 I238	V97-W100 HydrophobicContact CB-CH2 4.35Å; V97-W100 HydrophobicContact CB-CZ2 4.25Å; V97-W100 HydrophobicContact CG1-CD2 4.07Å; V97-W100 HydrophobicContact CG1-CE3 4.05Å; V97-W100 HydrophobicContact CG1-CH2 3.78Å; V97-W100 HydrophobicContact CG1-CZ2 3.74Å; V97-W100 HydrophobicContact CG1-CZ3 3.92Å; W100-P104 HydrophobicContact CZ3-CG 4.14Å; W100-L107 HydrophobicContact CH2-CD1 3.83Å; W100-L107 HydrophobicContact CZ3-CD1 3.65Å; W100-P128 HydrophobicContact CB-CB 4.29Å; W100-P128 CarbonylContact O-C 3.54Å; W100-P128 WeakPolarHBondContact O-CB 3.47Å; W100-Q129 PolarHBondContact O-N 3.5Å; W100-G130 PolarHBondContact N-O 2.86Å; W100-G130 WeakPolarHBondContact O-CA 2.97Å; W100-G130 PolarHBondContact O-N 3.4Å; W100-L133 HydrophobicContact CD2-CB 3.57Å; W100-L133 HydrophobicContact CD2-CD1 4.38Å; W100-L133 HydrophobicContact CD2-CG 4.45Å; W100-L133 HydrophobicContact CE3-CB 3.64Å; W100-L133 HydrophobicContact CE3-CD1 3.69Å; W100-L133 HydrophobicContact CE3-CD2 4.22Å; W100-L133 HydrophobicContact CE3-CG 4.02Å; W100-L133 HydrophobicContact CG-CB 4.08Å; W100-L133 HydrophobicContact CH2-CB 4.04Å; W100-L133 HydrophobicContact CH2-CD2 3.91Å; W100-L133 HydrophobicContact CH2-CG 4.45Å; W100-L133 HydrophobicContact CZ2-CB 4.02Å; W100-L133 HydrophobicContact CZ3-CB 3.87Å; W100-L133 HydrophobicContact CZ3-CD1 3.94Å; W100-L133 HydrophobicContact CZ3-CD2 3.69Å; W100-L133 HydrophobicContact CZ3-CG 4.02Å; W100-I235 HydrophobicContact CZ2-CG2 4.01Å; W100-I235 PolarHBondContact NE1-O 2.92Å; W100-K236 PolarHBondContact NE1-O 2.94Å; W100-I238 HydrophobicContact CH2-CD1 3.72Å; W100-I238 HydrophobicContact CH2-CG1 4.28Å; W100-I238 HydrophobicContact CZ2-CD1 4.04Å; W100-I238 HydrophobicContact CZ2-CG1 4.11Å
101	D	82.2	Confident	87.3	Confident	126 Å²	126	56 Å²	56	67%	0.674	31%	0.307	S	S	*	.	S	Bend	trans	-74.8	-34.9	177.1	-61.5	-41.8	0	0	0	111.4
102	S	86.9	Confident	87	Confident	85 Å²	85	57.8 Å²	57.8	59%	0.594	32%	0.317	S	S	*	.	S	Bend	trans	-139.7	165	172.8	61.8	0	0	0	0	110.3	P104	S102-P104 WeakPolarHBondContact O-CD 2.85Å
103	M	89	Confident	86.2	Confident	56 Å²	56	65 Å²	65	28%	0.276	35%	0.346	S	S	.	.			trans	-72.9	122.2	175	-175.4	67.4	74.8	0	0	109.4	L107 W126 L133 L145	M103-L107 HydrophobicContact CG-CB 4.49Å; M103-L107 HydrophobicContact SD-CB 3.89Å; M103-L107 HydrophobicContact SD-CD1 4.39Å; M103-W126 HydrophobicContact CE-CB 3.77Å; M103-L133 HydrophobicContact CE-CD1 3.85Å; M103-L133 HydrophobicContact SD-CD1 4.16Å; M103-L145 HydrophobicContact SD-CD1 4.37Å
104	P	87.3	Confident	84.9	Confident	25 Å²	25	68 Å²	68	16%	0.162	38%	0.38	C	S	.	.			trans	-63.6	144.2	175.3	-20.9	32	0	0	0	112.9	V97 W100 S102 F106 L107	V97-P104 HydrophobicContact CG1-CG 4.28Å; W100-P104 HydrophobicContact CZ3-CG 4.14Å; S102-P104 WeakPolarHBondContact O-CD 2.85Å; P104-F106 HydrophobicContact CB-CD1 3.97Å; P104-F106 HydrophobicContact CB-CD2 4.49Å; P104-F106 HydrophobicContact CB-CE1 3.43Å; P104-F106 VanDerWaalsContact CB-CE1 3.43Å; P104-F106 HydrophobicContact CB-CE2 4.01Å; P104-F106 HydrophobicContact CB-CG 4.48Å; P104-F106 HydrophobicContact CB-CZ 3.44Å; P104-F106 VanDerWaalsContact CB-CZ 3.44Å; P104-F106 HydrophobicContact CG-CE1 4.41Å; P104-F106 HydrophobicContact CG-CZ 4.03Å; P104-F106 PolarHBondContact O-N 3.27Å; P104-F106 VanDerWaalsContact O-N 3.15Å; P104-L107 HydrophobicContact CB-CD1 4.41Å; P104-L107 HydrophobicContact CG-CD1 4.04Å; P104-L107 PolarHBondContact O-N 3.37Å
105	D	84.3	Confident	83.3	Confident	168 Å²	168	68.8 Å²	68.8	90%	0.898	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.6	-174.5	-65	-25.7	0	0	0	114.8	L107	D105-L107 VanDerWaalsContact C-N 3.26Å; D105-L107 PolarHBondContact O-N 3.22Å
106	F	86.3	Confident	81.5	Confident	68 Å²	68	75.5 Å²	75.5	30%	0.298	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.9	178.8	56	-96.6	0	0	0	113.5	L95 V97 P104 M147	L95-F106 HydrophobicContact CD1-CE1 3.92Å; L95-F106 HydrophobicContact CD1-CZ 3.98Å; L95-F106 HydrophobicContact CD2-CD2 4.07Å; L95-F106 HydrophobicContact CD2-CE1 4.3Å; L95-F106 HydrophobicContact CD2-CE2 3.79Å; L95-F106 HydrophobicContact CD2-CG 4.45Å; L95-F106 HydrophobicContact CD2-CZ 3.91Å; L95-F106 HydrophobicContact CG-CZ 4.28Å; V97-F106 HydrophobicContact CG2-CE2 4.11Å; V97-F106 HydrophobicContact CG2-CZ 3.5Å; P104-F106 HydrophobicContact CB-CD1 3.97Å; P104-F106 HydrophobicContact CB-CD2 4.49Å; P104-F106 HydrophobicContact CB-CE1 3.43Å; P104-F106 VanDerWaalsContact CB-CE1 3.43Å; P104-F106 HydrophobicContact CB-CE2 4.01Å; P104-F106 HydrophobicContact CB-CG 4.48Å; P104-F106 HydrophobicContact CB-CZ 3.44Å; P104-F106 VanDerWaalsContact CB-CZ 3.44Å; P104-F106 HydrophobicContact CG-CE1 4.41Å; P104-F106 HydrophobicContact CG-CZ 4.03Å; P104-F106 PolarHBondContact O-N 3.27Å; P104-F106 VanDerWaalsContact O-N 3.15Å; F106-M147 HydrophobicContact CD2-CG 3.89Å; F106-M147 HydrophobicContact CD2-SD 3.74Å; F106-M147 HydrophobicContact CE2-SD 3.81Å
107	L	92.3	Very high	79.9	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.042	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.3	176.1	-71.1	174.5	0	0	0	110.7	W100 M103 P104 D105 L145 S146 M147 W213	W100-L107 HydrophobicContact CH2-CD1 3.83Å; W100-L107 HydrophobicContact CZ3-CD1 3.65Å; M103-L107 HydrophobicContact CG-CB 4.49Å; M103-L107 HydrophobicContact SD-CB 3.89Å; M103-L107 HydrophobicContact SD-CD1 4.39Å; P104-L107 HydrophobicContact CB-CD1 4.41Å; P104-L107 HydrophobicContact CG-CD1 4.04Å; P104-L107 PolarHBondContact O-N 3.37Å; D105-L107 VanDerWaalsContact C-N 3.26Å; D105-L107 PolarHBondContact O-N 3.22Å; L107-L145 HydrophobicContact CB-CD1 4.08Å; L107-L145 HydrophobicContact CD2-CD1 4.18Å; L107-L145 HydrophobicContact CD2-CD2 4.28Å; L107-L145 HydrophobicContact CD2-CG 4.05Å; L107-L145 HydrophobicContact CG-CD1 4.49Å; L107-S146 WeakPolarHBondContact CA-O 3.11Å; L107-M147 HydrophobicContact CD2-CB 3.64Å; L107-M147 HydrophobicContact CD2-CG 3.83Å; L107-M147 HydrophobicContact CD2-SD 3.85Å; L107-W213 HydrophobicContact CD2-CZ3 4.24Å
108	T	91	Very high	78.2	Confident	60 Å²	60	82.5 Å²	82.5	37%	0.368	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.7	174.3	62.9	0	0	0	0	110.4	L145 S146	T108-L145 CarbonylContact O-C 3.58Å; T108-L145 WeakPolarHBondContact O-CA 3.43Å; T108-S146 PolarHBondContact N-O 2.88Å; T108-S146 PolarHBondContact O-N 3.47Å
109	S	90.5	Very high	77	Confident	48 Å²	48	81.1 Å²	81.1	34%	0.336	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.2	174.7	176.7	0	0	0	0	109.3	W126	S109-W126 PolarHBondContact OG-N 2.81Å
110	D	88	Confident	76.2	Confident	80 Å²	80	83 Å²	83	43%	0.428	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	151.2	175.3	-63.4	-55.8	0	0	0	110.5	I144	D110-I144 HydrophobicContact CB-CB 4.35Å; D110-I144 PolarHBondContact N-O 3.49Å; D110-I144 PolarHBondContact O-N 2.9Å
111	T	84.8	Confident	75.7	Confident	55 Å²	55	84.1 Å²	84.1	34%	0.337	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.4	174.8	-56.2	0	0	0	0	109.7	C121 T124 C141 T142 V143	T111-C121 HydrophobicContact CG2-CB 3.65Å; T111-T124 WeakPolarHBondContact CG2-OG1 3.5Å; T111-C141 HydrophobicContact CG2-CB 4.14Å; T111-T142 WeakPolarHBondContact CA-O 3.38Å; T111-V143 HydrophobicContact CG2-CG1 4.31Å
112	T	79.9	Confident	75.3	Confident	67 Å²	67	84.7 Å²	84.7	41%	0.411	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.5	175.5	57.8	0	0	0	0	110.7	C141 T142 I144	T112-C141 CarbonylContact O-C 3.58Å; T112-C141 WeakPolarHBondContact O-CA 3.34Å; T112-T142 PolarHBondContact N-O 3.27Å; T112-T142 PolarHBondContact O-N 3.41Å; T112-T142 WeakPolarHBondContact OG1-CB 3.14Å; T112-T142 PolarHBondContact OG1-O 3.45Å; T112-I144 HydrophobicContact CG2-CD1 3.96Å
113	Y	73	Confident	74.6	Confident	152 Å²	152	87.4 Å²	87.4	60%	0.596	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.2	-179.3	61.4	-86.3	0	0	0	111.1	S115	Y113-S115 VanDerWaalsContact CD2-O 3.29Å; Y113-S115 WeakPolarHBondContact CD2-O 3.42Å; Y113-S115 WeakPolarHBondContact CE2-O 3.17Å
114	G	61.1	Low	74.3	Confident	78 Å²	78	85.5 Å²	85.5	80%	0.804	48%	0.476	S	S	*	.			trans	-91.6	-6.9	-177.8	0	0	0	0	0	115.7	S140	G114-S140 PolarHBondContact N-O 3.04Å
115	S	55.9	Low	74.3	Confident	43 Å²	43	85.1 Å²	85.1	30%	0.301	48%	0.476	S	S	.	.			trans	-104	145.9	-169.7	-173.2	0	0	0	0	113.9	Y113 S117	Y113-S115 VanDerWaalsContact CD2-O 3.29Å; Y113-S115 WeakPolarHBondContact CD2-O 3.42Å; Y113-S115 WeakPolarHBondContact CE2-O 3.17Å; S115-S117 PolarHBondContact O-N 2.78Å; S115-S117 PolarHBondContact OG-N 3.37Å; S115-S117 PolarHBondContact OG-OG 3.05Å
116	L	51.4	Low	74.6	Confident	188 Å²	188	78 Å²	78	98%	0.984	44%	0.437	S	S	*	.	S	Bend	trans	-67.9	-10.1	169.9	-77.2	155.9	0	0	0	113.5
117	S	54.1	Low	74.8	Confident	57 Å²	57	76.9 Å²	76.9	40%	0.399	44%	0.437	S	S	.	.	S	Bend	trans	-89.9	143.5	177.2	54.6	0	0	0	0	111.7	S115 V119	S115-S117 PolarHBondContact O-N 2.78Å; S115-S117 PolarHBondContact OG-N 3.37Å; S115-S117 PolarHBondContact OG-OG 3.05Å; S117-V119 PolarHBondContact O-N 2.91Å; S117-V119 WeakPolarHBondContact OG-CG2 3.4Å
118	N	52.8	Low	74.6	Confident	164 Å²	164	78.7 Å²	78.7	88%	0.877	45%	0.45	S	S	*	.			trans	-65.7	55.1	176.9	-77.5	-20	0	0	0	113.1	K120	N118-K120 PolarHBondContact O-N 3.23Å
119	V	59.7	Low	74.3	Confident	44 Å²	44	80.3 Å²	80.3	27%	0.267	45%	0.453	S	S	.	.			trans	-71.9	111.9	172.8	-177.6	0	0	0	0	107.7	S117 C121	S117-V119 PolarHBondContact O-N 2.91Å; S117-V119 WeakPolarHBondContact OG-CG2 3.4Å; V119-C121 PolarHBondContact O-N 3.26Å
120	K	64.4	Low	73.7	Confident	170 Å²	170	79.1 Å²	79.1	74%	0.739	45%	0.448	S	S	*	.			trans	-80	111.2	174.6	-69.4	-176.8	178.1	-179.6	0	109.1	N118 N122	N118-K120 PolarHBondContact O-N 3.23Å; K120-N122 PolarHBondContact O-N 2.98Å
121	C	75.8	Confident	73.1	Confident	24 Å²	24	81.2 Å²	81.2	16%	0.162	45%	0.454	C	S	.	.			trans	-75.2	52.9	177.8	-60.5	0	0	0	0	112.5	T111 V119 L123 T124 C141	T111-C121 HydrophobicContact CG2-CB 3.65Å; V119-C121 PolarHBondContact O-N 3.26Å; C121-L123 PolarHBondContact O-N 3.2Å; C121-T124 HydrophobicContact CB-CG2 4.24Å; C121-T124 VanDerWaalsContact CB-OG1 3.24Å; C121-T124 WeakPolarHBondContact CB-OG1 3.31Å; C121-T124 PolarHBondContact O-N 3.42Å; C121-T124 PolarHBondContact O-OG1 3.43Å; C121-C141 HydrophobicContact CB-CB 3.96Å; C121-C141 WeakPolarHBondContact CB-SG 3.24Å; C121-C141 WeakPolarHBondContact SG-CB 3.49Å; C121-C141 CovalentContact SG-SG 2.05Å; C121-C141 PolarHBondContact SG-SG 3.46Å
122	N	72.1	Confident	73.2	Confident	138 Å²	138	80.3 Å²	80.3	74%	0.738	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-27.4	-169.6	-77.2	-2	0	0	0	114.6	K120	K120-N122 PolarHBondContact O-N 2.98Å
123	L	73.4	Confident	73.8	Confident	143 Å²	143	77.1 Å²	77.1	75%	0.749	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	2.8	-179.1	-67.1	173.1	0	0	0	112.8	C121 T138	C121-L123 PolarHBondContact O-N 3.2Å; L123-T138 HydrophobicContact CB-CG2 4.11Å
124	T	82.5	Confident	74.6	Confident	16 Å²	16	69.9 Å²	69.9	10%	0.098	40%	0.398	C	S	.	.			trans	-101.2	138.4	-179.8	67.1	0	0	0	0	111.1	T111 C121 K136 T138 C141	T111-T124 WeakPolarHBondContact CG2-OG1 3.5Å; C121-T124 HydrophobicContact CB-CG2 4.24Å; C121-T124 VanDerWaalsContact CB-OG1 3.24Å; C121-T124 WeakPolarHBondContact CB-OG1 3.31Å; C121-T124 PolarHBondContact O-N 3.42Å; C121-T124 PolarHBondContact O-OG1 3.43Å; T124-K136 CarbonylContact C-O 3.51Å; T124-K136 VanDerWaalsContact CA-O 3.28Å; T124-K136 WeakPolarHBondContact CA-O 3.47Å; T124-T138 HydrophobicContact CG2-CG2 3.64Å; T124-T138 WeakPolarHBondContact CG2-OG1 3.45Å; T124-C141 HydrophobicContact CG2-CB 3.74Å
125	G	87.2	Confident	76	Confident	16 Å²	16	66.2 Å²	66.2	17%	0.165	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-174.7	172.6	0	0	0	0	0	111.3	K136	G125-K136 PolarHBondContact N-O 3.24Å; G125-K136 PolarHBondContact O-N 3.5Å
126	W	91.5	Very high	77.5	Confident	19 Å²	19	67.3 Å²	67.3	7%	0.072	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.8	175.7	-68.6	88.6	0	0	0	110.6	M103 S109 L133 V134 G135 L145 W213 L233 I235	M103-W126 HydrophobicContact CE-CB 3.77Å; S109-W126 PolarHBondContact OG-N 2.81Å; W126-L133 HydrophobicContact CD2-CD2 4.26Å; W126-L133 HydrophobicContact CE3-CD2 3.47Å; W126-L133 VanDerWaalsContact CE3-CD2 3.47Å; W126-L133 HydrophobicContact CE3-CG 3.72Å; W126-L133 HydrophobicContact CZ3-CD2 3.93Å; W126-L133 HydrophobicContact CZ3-CG 4.26Å; W126-V134 CarbonylContact C-O 3.52Å; W126-V134 WeakPolarHBondContact CA-O 3.34Å; W126-G135 VanDerWaalsContact CD2-CA 3.49Å; W126-L145 HydrophobicContact CB-CD1 4.4Å; W126-L145 HydrophobicContact CD2-CB 3.95Å; W126-L145 HydrophobicContact CD2-CD1 4.35Å; W126-L145 HydrophobicContact CD2-CD2 4.27Å; W126-L145 HydrophobicContact CD2-CG 4.44Å; W126-L145 VanDerWaalsContact CE2-CB 3.49Å; W126-L145 HydrophobicContact CE3-CD2 4.22Å; W126-L145 HydrophobicContact CG-CB 4.21Å; W126-L145 HydrophobicContact CG-CD1 4.13Å; W126-L145 HydrophobicContact CH2-CB 4.42Å; W126-L145 HydrophobicContact CH2-CD2 4.31Å; W126-L145 HydrophobicContact CZ2-CB 3.75Å; W126-L145 HydrophobicContact CZ2-CD2 4.42Å; W126-L145 HydrophobicContact CZ3-CD2 4.24Å; W126-W213 HydrophobicContact CH2-CB 4.23Å; W126-W213 HydrophobicContact CZ2-CB 3.98Å; W126-L233 HydrophobicContact CH2-CB 4.24Å; W126-L233 HydrophobicContact CH2-CD2 3.58Å; W126-L233 HydrophobicContact CH2-CG 3.86Å; W126-L233 HydrophobicContact CZ2-CD2 4.14Å; W126-L233 HydrophobicContact CZ3-CG 4.48Å; W126-I235 HydrophobicContact CH2-CD1 3.6Å; W126-I235 HydrophobicContact CH2-CG1 4.15Å; W126-I235 HydrophobicContact CZ3-CD1 3.63Å; W126-I235 HydrophobicContact CZ3-CG1 3.98Å
127	S	88.9	Confident	79.1	Confident	44 Å²	44	58.4 Å²	58.4	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.1	-176.9	61.2	0	0	0	0	111.6	V134	S127-V134 PolarHBondContact N-O 2.84Å; S127-V134 PolarHBondContact O-N 2.98Å; S127-V134 PolarHBondContact OG-O 2.82Å
128	P	89.9	Confident	80.3	Confident	47 Å²	47	56.9 Å²	56.9	31%	0.305	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.7	172.6	25.1	-29.3	0	0	0	111.2	W100 L133	W100-P128 HydrophobicContact CB-CB 4.29Å; W100-P128 CarbonylContact O-C 3.54Å; W100-P128 WeakPolarHBondContact O-CB 3.47Å; P128-L133 HydrophobicContact CB-CD1 4.35Å
129	Q	83.2	Confident	81	Confident	94 Å²	94	50.8 Å²	50.8	44%	0.439	27%	0.268	S	S	.	.			trans	-122	29.5	178.4	-64	-164.3	-6.4	0	0	113.5	W100 K131 H132 V134	W100-Q129 PolarHBondContact O-N 3.5Å; Q129-K131 PolarHBondContact O-N 2.79Å; Q129-H132 PolarHBondContact N-O 3.5Å; Q129-H132 PolarHBondContact OE1-NE2 2.85Å; Q129-V134 HydrophobicContact CB-CG2 4.48Å; Q129-V134 VanDerWaalsContact CD-CG2 3.43Å; Q129-V134 HydrophobicContact CG-CG2 3.86Å
130	G	77.6	Confident	81.5	Confident	23 Å²	23	49.9 Å²	49.9	24%	0.237	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	76.8	-61	-179.5	0	0	0	0	0	113.1	W100	W100-G130 PolarHBondContact N-O 2.86Å; W100-G130 WeakPolarHBondContact O-CA 2.97Å; W100-G130 PolarHBondContact O-N 3.4Å
131	K	76.8	Confident	82.4	Confident	124 Å²	124	41.8 Å²	41.8	54%	0.539	23%	0.228	S	C	.	.	S	Bend	trans	-91.3	-22.4	-177.2	-65.9	-175	-178.1	178	0	114.2	Q129 F416	Q129-K131 PolarHBondContact O-N 2.79Å; K131-F416 VanDerWaalsContact NZ-CZ 3.25Å
132	H	85.7	Confident	82.8	Confident	36 Å²	36	42.1 Å²	42.1	17%	0.167	23%	0.229	C	C	.	.	S	Bend	trans	-153.2	153.8	-176.1	51.1	-84	0	0	0	110	Q129 V134 H234 I235	Q129-H132 PolarHBondContact N-O 3.5Å; Q129-H132 PolarHBondContact OE1-NE2 2.85Å; H132-V134 WeakPolarHBondContact CD2-CG2 3.4Å; H132-H234 AromaticContact CD2-ND1 3.99Å; H132-I235 CarbonylContact C-O 3.54Å; H132-I235 WeakPolarHBondContact CA-O 3.46Å
133	L	92	Very high	83.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.4	170.3	-169.8	74.2	0	0	0	109.1	W100 M103 W126 P128 L145 H234 I235	W100-L133 HydrophobicContact CD2-CB 3.57Å; W100-L133 HydrophobicContact CD2-CD1 4.38Å; W100-L133 HydrophobicContact CD2-CG 4.45Å; W100-L133 HydrophobicContact CE3-CB 3.64Å; W100-L133 HydrophobicContact CE3-CD1 3.69Å; W100-L133 HydrophobicContact CE3-CD2 4.22Å; W100-L133 HydrophobicContact CE3-CG 4.02Å; W100-L133 HydrophobicContact CG-CB 4.08Å; W100-L133 HydrophobicContact CH2-CB 4.04Å; W100-L133 HydrophobicContact CH2-CD2 3.91Å; W100-L133 HydrophobicContact CH2-CG 4.45Å; W100-L133 HydrophobicContact CZ2-CB 4.02Å; W100-L133 HydrophobicContact CZ3-CB 3.87Å; W100-L133 HydrophobicContact CZ3-CD1 3.94Å; W100-L133 HydrophobicContact CZ3-CD2 3.69Å; W100-L133 HydrophobicContact CZ3-CG 4.02Å; M103-L133 HydrophobicContact CE-CD1 3.85Å; M103-L133 HydrophobicContact SD-CD1 4.16Å; W126-L133 HydrophobicContact CD2-CD2 4.26Å; W126-L133 HydrophobicContact CE3-CD2 3.47Å; W126-L133 VanDerWaalsContact CE3-CD2 3.47Å; W126-L133 HydrophobicContact CE3-CG 3.72Å; W126-L133 HydrophobicContact CZ3-CD2 3.93Å; W126-L133 HydrophobicContact CZ3-CG 4.26Å; P128-L133 HydrophobicContact CB-CD1 4.35Å; L133-L145 HydrophobicContact CD2-CD1 4.19Å; L133-L145 HydrophobicContact CD2-CD2 3.5Å; L133-H234 CarbonylContact O-C 3.51Å; L133-H234 WeakPolarHBondContact O-CA 3.31Å; L133-I235 HydrophobicContact CB-CB 4.32Å; L133-I235 PolarHBondContact N-O 2.82Å; L133-I235 PolarHBondContact O-N 2.84Å
134	V	90.4	Very high	84.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.5	-179.5	-176.4	0	0	0	0	110.4	W126 S127 Q129 H132 K136 E232	W126-V134 CarbonylContact C-O 3.52Å; W126-V134 WeakPolarHBondContact CA-O 3.34Å; S127-V134 PolarHBondContact N-O 2.84Å; S127-V134 PolarHBondContact O-N 2.98Å; S127-V134 PolarHBondContact OG-O 2.82Å; Q129-V134 HydrophobicContact CB-CG2 4.48Å; Q129-V134 VanDerWaalsContact CD-CG2 3.43Å; Q129-V134 HydrophobicContact CG-CG2 3.86Å; H132-V134 WeakPolarHBondContact CD2-CG2 3.4Å; V134-K136 HydrophobicContact CG1-CD 4.32Å; V134-K136 HydrophobicContact CG1-CG 3.67Å; V134-E232 HydrophobicContact CG1-CB 4.34Å
135	G	91	Very high	85.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.7	164.1	0	0	0	0	0	109.7	W126 L215 E232 L233	W126-G135 VanDerWaalsContact CD2-CA 3.49Å; G135-L215 VanDerWaalsContact O-CD2 3.25Å; G135-L215 WeakPolarHBondContact O-CD2 3.33Å; G135-E232 CarbonylContact O-C 3.59Å; G135-E232 VanDerWaalsContact O-CA 3.28Å; G135-E232 WeakPolarHBondContact O-CA 3.47Å; G135-L233 PolarHBondContact N-O 3.42Å; G135-L233 PolarHBondContact O-N 2.77Å
136	K	88.2	Confident	85.4	Confident	67 Å²	67	28.1 Å²	28.1	29%	0.291	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.4	174.5	-53.8	-162.5	-177.1	-150.5	0	110.2	T124 G125 V134 V143 E232	T124-K136 CarbonylContact C-O 3.51Å; T124-K136 VanDerWaalsContact CA-O 3.28Å; T124-K136 WeakPolarHBondContact CA-O 3.47Å; G125-K136 PolarHBondContact N-O 3.24Å; G125-K136 PolarHBondContact O-N 3.5Å; V134-K136 HydrophobicContact CG1-CD 4.32Å; V134-K136 HydrophobicContact CG1-CG 3.67Å; K136-V143 WeakPolarHBondContact O-CG1 3.24Å; K136-E232 HydrophobicContact CD-CG 4.4Å; K136-E232 WeakPolarHBondContact CD-OE1 3.39Å; K136-E232 WeakPolarHBondContact CE-OE1 3.41Å; K136-E232 HydrophobicContact CG-CG 4.11Å; K136-E232 IonicContact NZ-OE1 3.2Å; K136-E232 PolarHBondContact NZ-OE1 2.91Å
137	T	84.6	Confident	85.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.			trans	-131.3	146.3	175.9	-162.7	0	0	0	0	111.7	C141 L215 V217 D230 P231	T137-C141 PolarHBondContact OG1-O 2.93Å; T137-L215 HydrophobicContact CG2-CD2 3.97Å; T137-L215 HydrophobicContact CG2-CG 3.71Å; T137-V217 HydrophobicContact CG2-CG2 3.9Å; T137-D230 WeakPolarHBondContact O-CB 3.26Å; T137-P231 HydrophobicContact CG2-CG 3.68Å; T137-P231 PolarHBondContact N-O 3.15Å
138	T	78.1	Confident	85.5	Confident	25 Å²	25	32.7 Å²	32.7	15%	0.153	17%	0.166	C	C	.	.			trans	-120.4	174.9	-179	65.4	0	0	0	0	110.5	L123 T124 S140 C141	L123-T138 HydrophobicContact CB-CG2 4.11Å; T124-T138 HydrophobicContact CG2-CG2 3.64Å; T124-T138 WeakPolarHBondContact CG2-OG1 3.45Å; T138-S140 PolarHBondContact O-N 3.09Å; T138-C141 WeakPolarHBondContact O-CB 3.46Å; T138-C141 PolarHBondContact O-N 3.48Å
139	D	68.6	Low	85.5	Confident	37 Å²	37	31.1 Å²	31.1	20%	0.198	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.1	118.8	176.9	-61.2	-2.8	0	0	0	114.4	C141 V220 Q223 R224	D139-C141 PolarHBondContact O-N 3.29Å; D139-C141 VanDerWaalsContact O-N 3.15Å; D139-V220 HydrophobicContact CB-CG1 4.16Å; D139-Q223 VanDerWaalsContact OD1-CG 3.23Å; D139-Q223 WeakPolarHBondContact OD1-CG 3.32Å; D139-Q223 PolarHBondContact OD1-OE1 3.18Å; D139-R224 WeakPolarHBondContact OD2-CB 3.32Å; D139-R224 WeakPolarHBondContact OD2-CG 3.42Å
140	S	70.6	Confident	85.7	Confident	24 Å²	24	30.6 Å²	30.6	17%	0.168	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	3.5	178.4	64.3	0	0	0	0	117.6	G114 T138	G114-S140 PolarHBondContact N-O 3.04Å; T138-S140 PolarHBondContact O-N 3.09Å
141	C	82.3	Confident	86.2	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145	175.5	-54.6	0	0	0	0	109.5	T111 T112 C121 T124 T137 T138 D139	T111-C141 HydrophobicContact CG2-CB 4.14Å; T112-C141 CarbonylContact O-C 3.58Å; T112-C141 WeakPolarHBondContact O-CA 3.34Å; C121-C141 HydrophobicContact CB-CB 3.96Å; C121-C141 WeakPolarHBondContact CB-SG 3.24Å; C121-C141 WeakPolarHBondContact SG-CB 3.49Å; C121-C141 CovalentContact SG-SG 2.05Å; C121-C141 PolarHBondContact SG-SG 3.46Å; T124-C141 HydrophobicContact CG2-CB 3.74Å; T137-C141 PolarHBondContact OG1-O 2.93Å; T138-C141 WeakPolarHBondContact O-CB 3.46Å; T138-C141 PolarHBondContact O-N 3.48Å; D139-C141 PolarHBondContact O-N 3.29Å; D139-C141 VanDerWaalsContact O-N 3.15Å
142	T	84.6	Confident	86.6	Confident	30 Å²	30	25 Å²	25	18%	0.184	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.5	170.3	-65.1	0	0	0	0	107.1	T111 T112 I144 Y214 L216	T111-T142 WeakPolarHBondContact CA-O 3.38Å; T112-T142 PolarHBondContact N-O 3.27Å; T112-T142 PolarHBondContact O-N 3.41Å; T112-T142 WeakPolarHBondContact OG1-CB 3.14Å; T112-T142 PolarHBondContact OG1-O 3.45Å; T142-I144 HydrophobicContact CG2-CG1 4.25Å; T142-Y214 HydrophobicContact CG2-CD1 3.94Å; T142-L216 HydrophobicContact CG2-CB 4.04Å; T142-L216 WeakPolarHBondContact OG1-CB 3.15Å
143	V	90.6	Very high	86.7	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.3	176.8	-60.3	0	0	0	0	110.1	T111 K136 L215	T111-V143 HydrophobicContact CG2-CG1 4.31Å; K136-V143 WeakPolarHBondContact O-CG1 3.24Å; V143-L215 HydrophobicContact CG2-CB 3.7Å; V143-L215 HydrophobicContact CG2-CD2 4.07Å; V143-L215 HydrophobicContact CG2-CG 4.26Å; V143-L215 PolarHBondContact N-O 3.28Å; V143-L215 PolarHBondContact O-N 2.97Å
144	I	91.6	Very high	86.6	Confident	13 Å²	13	31.9 Å²	31.9	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.3	-173.4	-47.8	173.1	0	0	0	107.2	D110 T112 T142 Q212 W213 Y214	D110-I144 HydrophobicContact CB-CB 4.35Å; D110-I144 PolarHBondContact N-O 3.49Å; D110-I144 PolarHBondContact O-N 2.9Å; T112-I144 HydrophobicContact CG2-CD1 3.96Å; T142-I144 HydrophobicContact CG2-CG1 4.25Å; I144-Q212 HydrophobicContact CG2-CB 4.25Å; I144-W213 CarbonylContact C-O 3.57Å; I144-W213 VanDerWaalsContact CA-O 3.32Å; I144-W213 WeakPolarHBondContact CA-O 3.49Å; I144-Y214 HydrophobicContact CB-CE1 4.44Å; I144-Y214 HydrophobicContact CD1-CD1 4.07Å; I144-Y214 HydrophobicContact CD1-CE1 3.37Å; I144-Y214 HydrophobicContact CG1-CD1 3.72Å; I144-Y214 HydrophobicContact CG1-CE1 3.53Å; I144-Y214 HydrophobicContact CG1-CG 4.49Å; I144-Y214 HydrophobicContact CG2-CD1 4.44Å; I144-Y214 HydrophobicContact CG2-CD2 4.37Å; I144-Y214 HydrophobicContact CG2-CE1 4.09Å; I144-Y214 HydrophobicContact CG2-CE2 4.02Å
145	L	94.9	Very high	86.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.9	164.7	-175	66.9	0	0	0	107.2	M103 L107 T108 W126 L133 Q212 W213 I235	M103-L145 HydrophobicContact SD-CD1 4.37Å; L107-L145 HydrophobicContact CB-CD1 4.08Å; L107-L145 HydrophobicContact CD2-CD1 4.18Å; L107-L145 HydrophobicContact CD2-CD2 4.28Å; L107-L145 HydrophobicContact CD2-CG 4.05Å; L107-L145 HydrophobicContact CG-CD1 4.49Å; T108-L145 CarbonylContact O-C 3.58Å; T108-L145 WeakPolarHBondContact O-CA 3.43Å; W126-L145 HydrophobicContact CB-CD1 4.4Å; W126-L145 HydrophobicContact CD2-CB 3.95Å; W126-L145 HydrophobicContact CD2-CD1 4.35Å; W126-L145 HydrophobicContact CD2-CD2 4.27Å; W126-L145 HydrophobicContact CD2-CG 4.44Å; W126-L145 VanDerWaalsContact CE2-CB 3.49Å; W126-L145 HydrophobicContact CE3-CD2 4.22Å; W126-L145 HydrophobicContact CG-CB 4.21Å; W126-L145 HydrophobicContact CG-CD1 4.13Å; W126-L145 HydrophobicContact CH2-CB 4.42Å; W126-L145 HydrophobicContact CH2-CD2 4.31Å; W126-L145 HydrophobicContact CZ2-CB 3.75Å; W126-L145 HydrophobicContact CZ2-CD2 4.42Å; W126-L145 HydrophobicContact CZ3-CD2 4.24Å; L133-L145 HydrophobicContact CD2-CD1 4.19Å; L133-L145 HydrophobicContact CD2-CD2 3.5Å; L145-Q212 CarbonylContact O-C 3.6Å; L145-Q212 WeakPolarHBondContact O-CA 3.35Å; L145-W213 HydrophobicContact CB-CB 4.17Å; L145-W213 HydrophobicContact CB-CE3 3.96Å; L145-W213 HydrophobicContact CD2-CD2 4.19Å; L145-W213 HydrophobicContact CD2-CE3 3.71Å; L145-W213 HydrophobicContact CD2-CZ3 4.16Å; L145-W213 HydrophobicContact CG-CE3 3.86Å; L145-W213 HydrophobicContact CG-CZ3 4.31Å; L145-W213 PolarHBondContact N-O 3.41Å; L145-W213 PolarHBondContact O-N 3.12Å; L145-I235 HydrophobicContact CD2-CD1 3.95Å
146	S	92.9	Very high	86.8	Confident	7 Å²	7	34.6 Å²	34.6	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136	-179.8	-58.1	0	0	0	0	110.7	L107 T108 L211 Q212	L107-S146 WeakPolarHBondContact CA-O 3.11Å; T108-S146 PolarHBondContact N-O 2.88Å; T108-S146 PolarHBondContact O-N 3.47Å; S146-L211 CarbonylContact C-O 3.56Å; S146-L211 WeakPolarHBondContact CA-O 3.49Å; S146-Q212 PolarHBondContact OG-NE2 2.9Å
147	M	93.2	Very high	87.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.6	175.9	-167.5	165.5	69	0	0	109.2	L95 F106 L107 V149 I157 L211 W213 I238 L240	L95-M147 HydrophobicContact CD2-SD 4.37Å; F106-M147 HydrophobicContact CD2-CG 3.89Å; F106-M147 HydrophobicContact CD2-SD 3.74Å; F106-M147 HydrophobicContact CE2-SD 3.81Å; L107-M147 HydrophobicContact CD2-CB 3.64Å; L107-M147 HydrophobicContact CD2-CG 3.83Å; L107-M147 HydrophobicContact CD2-SD 3.85Å; M147-V149 HydrophobicContact CE-CG1 4Å; M147-V149 HydrophobicContact CG-CG1 3.69Å; M147-V149 HydrophobicContact SD-CG1 4.35Å; M147-I157 HydrophobicContact CE-CD1 3.61Å; M147-L211 HydrophobicContact CB-CB 4.27Å; M147-L211 HydrophobicContact CE-CB 4.39Å; M147-L211 HydrophobicContact CE-CD1 3.52Å; M147-L211 HydrophobicContact CE-CG 4.49Å; M147-L211 PolarHBondContact N-O 3.21Å; M147-L211 PolarHBondContact O-N 3.04Å; M147-W213 HydrophobicContact CB-CH2 4.39Å; M147-W213 HydrophobicContact CB-CZ3 3.96Å; M147-W213 HydrophobicContact CE-CH2 3.91Å; M147-W213 HydrophobicContact SD-CH2 4.38Å; M147-I238 HydrophobicContact CE-CG2 4.24Å; M147-L240 HydrophobicContact CE-CD2 4.28Å
148	K	89.8	Confident	87.5	Confident	158 Å²	158	32.9 Å²	32.9	69%	0.687	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92	122.6	176	-66	178.7	-175.2	172.5	0	108.8
149	V	89.7	Confident	88.3	Confident	15 Å²	15	31.7 Å²	31.7	9%	0.091	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.1	-174.7	-53.6	0	0	0	0	111.2	M147 H208 N209 L211 L240	M147-V149 HydrophobicContact CE-CG1 4Å; M147-V149 HydrophobicContact CG-CG1 3.69Å; M147-V149 HydrophobicContact SD-CG1 4.35Å; V149-H208 WeakPolarHBondContact O-CA 3.33Å; V149-N209 HydrophobicContact CG2-CB 3.86Å; V149-N209 PolarHBondContact N-O 3.41Å; V149-N209 PolarHBondContact O-N 2.74Å; V149-N209 VanDerWaalsContact O-O 3.14Å; V149-L211 HydrophobicContact CG1-CD1 4.16Å; V149-L211 HydrophobicContact CG2-CD1 3.83Å; V149-L211 HydrophobicContact CG2-CG 4.07Å; V149-L240 HydrophobicContact CB-CD2 3.83Å; V149-L240 HydrophobicContact CG1-CD2 3.55Å; V149-L240 HydrophobicContact CG2-CD2 4.18Å
150	Y	87.2	Confident	89.4	Confident	83 Å²	83	30.2 Å²	30.2	33%	0.325	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113	174.8	177.4	-104.8	0	0	0	108.6	L152 G207 H208 P244	Y150-L152 HydrophobicContact CD1-CD2 4.35Å; Y150-L152 HydrophobicContact CE1-CD2 3.5Å; Y150-L152 VanDerWaalsContact CE1-CD2 3.5Å; Y150-L152 HydrophobicContact CE1-CG 4.19Å; Y150-G207 WeakPolarHBondContact CA-O 3.31Å; Y150-H208 AromaticContact CD2-CD2 3.67Å; Y150-H208 AromaticContact CD2-CE1 3.38Å; Y150-H208 WeakPolarHBondContact CD2-CE1 3.48Å; Y150-H208 AromaticContact CD2-CG 3.69Å; Y150-H208 AromaticContact CD2-ND1 3.53Å; Y150-H208 AromaticContact CD2-NE2 3.47Å; Y150-H208 WeakPolarHBondContact CD2-NE2 3.42Å; Y150-H208 AromaticContact CE2-CD2 3.89Å; Y150-H208 AromaticContact CE2-NE2 3.66Å; Y150-H208 AromaticContact CG-CE1 3.98Å; Y150-P244 HydrophobicContact CD1-CG 4.28Å; Y150-P244 WeakPolarHBondContact O-CD 3.42Å
151	N	88.6	Confident	90.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.2	-177.8	-87.4	36.9	0	0	0	110	K153 P205 V206 G207 T241 G242	N151-K153 VanDerWaalsContact C-N 3.33Å; N151-P205 WeakPolarHBondContact CB-O 3.3Å; N151-V206 WeakPolarHBondContact O-CG1 3.45Å; N151-G207 PolarHBondContact N-O 3.03Å; N151-G207 PolarHBondContact O-N 3.09Å; N151-T241 PolarHBondContact ND2-O 3.14Å; N151-G242 CarbonylContact C-O 3.56Å; N151-G242 VanDerWaalsContact CA-O 3.24Å; N151-G242 WeakPolarHBondContact CA-O 3.23Å
152	L	85	Confident	90.5	Very high	29 Å²	29	29.2 Å²	29.2	15%	0.152	15%	0.152	C	C	.	.	S	Bend	trans	-74.3	-27.6	175.2	-72.5	175.6	0	0	0	112	T67 Y150 G242 P244	T67-L152 HydrophobicContact CG2-CB 4Å; T67-L152 HydrophobicContact CG2-CD1 4.14Å; Y150-L152 HydrophobicContact CD1-CD2 4.35Å; Y150-L152 HydrophobicContact CE1-CD2 3.5Å; Y150-L152 VanDerWaalsContact CE1-CD2 3.5Å; Y150-L152 HydrophobicContact CE1-CG 4.19Å; L152-G242 PolarHBondContact N-O 2.97Å; L152-P244 HydrophobicContact CD1-CB 4.24Å
153	K	87.2	Confident	90.4	Very high	77 Å²	77	28 Å²	28	34%	0.335	14%	0.144	S	C	.	.	S	Bend	trans	-136.5	162	176.8	69.3	-179.7	178	-164.3	0	110.8	T67 D93 N151 G155	T67-K153 HydrophobicContact CG2-CD 4.19Å; T67-K153 HydrophobicContact CG2-CG 4.4Å; T67-K153 PolarHBondContact OG1-NZ 3.11Å; D93-K153 WeakPolarHBondContact OD2-CE 3.16Å; D93-K153 IonicContact OD2-NZ 2.85Å; D93-K153 PolarHBondContact OD2-NZ 2.88Å; N151-K153 VanDerWaalsContact C-N 3.33Å; K153-G155 PolarHBondContact O-N 3.07Å
154	P	90.1	Very high	89.2	Confident	104 Å²	104	31 Å²	31	68%	0.675	16%	0.158	S	C	*	.			trans	-54.1	126.2	173.8	-21.7	32.5	0	0	0	109.5	V206	P154-V206 HydrophobicContact CG-CG2 3.77Å
155	G	91.1	Very high	87.9	Confident	7 Å²	7	31.6 Å²	31.6	7%	0.072	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-175	-174.5	0	0	0	0	0	112.2	K153 V204 T241	K153-G155 PolarHBondContact O-N 3.07Å; G155-V204 PolarHBondContact N-O 3.5Å; G155-V204 PolarHBondContact O-N 3.26Å; G155-T241 WeakPolarHBondContact CA-O 3.45Å
156	T	93.3	Very high	86.2	Confident	50 Å²	50	35.5 Å²	35.5	31%	0.307	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.8	176.5	56.8	0	0	0	0	109.8	T201 F202 L240 T241	T156-T201 HydrophobicContact CG2-CG2 4.42Å; T156-F202 CarbonylContact C-O 3.55Å; T156-F202 VanDerWaalsContact CA-O 3.23Å; T156-F202 WeakPolarHBondContact CA-O 3.06Å; T156-L240 WeakPolarHBondContact O-CA 3.47Å; T156-T241 PolarHBondContact N-OG1 2.03Å; T156-T241 PolarHBondContact O-N 2.65Å; T156-T241 PolarHBondContact O-OG1 3.1Å; T156-T241 PolarHBondContact OG1-OG1 3.45Å
157	I	94.2	Very high	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.9	166	-176.6	164	0	0	0	109.4	M147 F159 F172 T201 F202 V204 L211 W213 I238 R239 L240	M147-I157 HydrophobicContact CE-CD1 3.61Å; I157-F159 HydrophobicContact CG1-CD1 4.24Å; I157-F172 HydrophobicContact CD1-CE2 4.33Å; I157-F172 HydrophobicContact CD1-CZ 3.96Å; I157-F172 HydrophobicContact CG2-CE1 3.79Å; I157-F172 HydrophobicContact CG2-CZ 3.73Å; I157-T201 CarbonylContact O-C 3.57Å; I157-T201 VanDerWaalsContact O-CA 3.28Å; I157-T201 WeakPolarHBondContact O-CA 3.08Å; I157-F202 HydrophobicContact CG2-CB 4Å; I157-F202 HydrophobicContact CG2-CD2 4.43Å; I157-F202 PolarHBondContact N-O 3.17Å; I157-F202 PolarHBondContact O-N 3.13Å; I157-V204 HydrophobicContact CB-CG2 3.97Å; I157-V204 HydrophobicContact CG2-CG2 3.69Å; I157-L211 HydrophobicContact CB-CD1 4.47Å; I157-L211 HydrophobicContact CD1-CD1 3.62Å; I157-W213 HydrophobicContact CD1-CH2 3.95Å; I157-W213 HydrophobicContact CD1-CZ2 3.87Å; I157-I238 HydrophobicContact CD1-CG2 4.01Å; I157-I238 HydrophobicContact CG1-CG2 4.34Å; I157-R239 CarbonylContact C-O 3.54Å; I157-R239 WeakPolarHBondContact CA-O 3.25Å; I157-L240 HydrophobicContact CB-CD1 3.99Å
158	T	93.7	Very high	83.9	Confident	31 Å²	31	36.4 Å²	36.4	19%	0.19	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.3	173.5	-58.3	0	0	0	0	108.6	T199 V200 T201 I238 R239	T158-T199 HydrophobicContact CG2-CG2 3.46Å; T158-T199 VanDerWaalsContact CG2-CG2 3.46Å; T158-V200 CarbonylContact C-O 3.55Å; T158-V200 WeakPolarHBondContact CA-O 3.41Å; T158-T201 WeakPolarHBondContact CG2-OG1 3.29Å; T158-T201 WeakPolarHBondContact OG1-CG2 2.99Å; T158-T201 PolarHBondContact OG1-OG1 3.27Å; T158-I238 CarbonylContact O-C 3.5Å; T158-R239 PolarHBondContact N-O 3.24Å; T158-R239 PolarHBondContact O-N 3.44Å
159	F	94.6	Very high	83.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.4	172.9	61	-91.7	0	0	0	111.6	I157 Y161 F172 L189 T199 V200 F202 W213 E237 I238	I157-F159 HydrophobicContact CG1-CD1 4.24Å; F159-Y161 HydrophobicContact CD2-CD1 4.13Å; F159-Y161 AromaticContact CE2-CD1 3.86Å; F159-Y161 HydrophobicContact CE2-CD1 3.86Å; F159-Y161 HydrophobicContact CE2-CG 4.4Å; F159-F172 HydrophobicContact CE1-CB 4.38Å; F159-F172 AromaticContact CE1-CD1 3.9Å; F159-F172 HydrophobicContact CE1-CD1 3.9Å; F159-F172 AromaticContact CE1-CD2 3.81Å; F159-F172 HydrophobicContact CE1-CD2 3.81Å; F159-F172 HydrophobicContact CE1-CE1 4.11Å; F159-F172 HydrophobicContact CE1-CE2 4.03Å; F159-F172 AromaticContact CE1-CG 3.75Å; F159-F172 HydrophobicContact CE1-CG 3.75Å; F159-F172 HydrophobicContact CE1-CZ 4.18Å; F159-F172 HydrophobicContact CZ-CB 3.93Å; F159-F172 HydrophobicContact CZ-CD1 4.28Å; F159-F172 AromaticContact CZ-CD2 4Å; F159-F172 HydrophobicContact CZ-CD2 4Å; F159-F172 AromaticContact CZ-CG 3.79Å; F159-F172 HydrophobicContact CZ-CG 3.79Å; F159-L189 HydrophobicContact CE2-CD1 4.02Å; F159-L189 HydrophobicContact CE2-CD2 3.96Å; F159-L189 HydrophobicContact CZ-CD1 4.36Å; F159-L189 HydrophobicContact CZ-CD2 3.84Å; F159-T199 WeakPolarHBondContact O-CA 3.46Å; F159-V200 HydrophobicContact CD1-CG2 4.08Å; F159-V200 HydrophobicContact CD2-CG2 3.79Å; F159-V200 HydrophobicContact CE1-CG2 3.71Å; F159-V200 HydrophobicContact CE2-CG2 3.38Å; F159-V200 HydrophobicContact CG-CG2 4.12Å; F159-V200 HydrophobicContact CZ-CG2 3.34Å; F159-V200 PolarHBondContact N-O 3.21Å; F159-V200 PolarHBondContact O-N 3.1Å; F159-F202 AromaticContact CE1-CD2 3.94Å; F159-F202 HydrophobicContact CE1-CD2 3.94Å; F159-F202 AromaticContact CE1-CE2 3.68Å; F159-F202 HydrophobicContact CE1-CE2 3.68Å; F159-F202 AromaticContact CZ-CE2 3.88Å; F159-F202 HydrophobicContact CZ-CE2 3.88Å; F159-W213 HydrophobicContact CD1-CZ2 4.14Å; F159-W213 AromaticContact CD1-NE1 3.83Å; F159-W213 AromaticContact CD2-NE1 3.7Å; F159-W213 HydrophobicContact CE1-CZ2 4.41Å; F159-W213 AromaticContact CE1-NE1 3.57Å; F159-W213 AromaticContact CE2-CD1 3.98Å; F159-W213 AromaticContact CE2-NE1 3.44Å; F159-W213 HydrophobicContact CG-CZ2 4.47Å; F159-W213 AromaticContact CG-NE1 3.88Å; F159-W213 AromaticContact CZ-CD1 3.98Å; F159-W213 AromaticContact CZ-NE1 3.37Å; F159-E237 CarbonylContact C-O 3.57Å; F159-E237 WeakPolarHBondContact CA-O 3.25Å; F159-E237 WeakPolarHBondContact CB-O 3.37Å; F159-I238 HydrophobicContact CB-CB 4.48Å; F159-I238 HydrophobicContact CB-CG1 4.07Å
160	T	92.3	Very high	83.2	Confident	5 Å²	5	28.3 Å²	28.3	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126	179.9	-61.1	0	0	0	0	109.3	Y197 E198 T199 I235 K236 E237	T160-Y197 HydrophobicContact CG2-CD1 4.02Å; T160-Y197 HydrophobicContact CG2-CG 4.28Å; T160-E198 CarbonylContact C-O 3.55Å; T160-E198 VanDerWaalsContact CA-O 3.26Å; T160-E198 WeakPolarHBondContact CA-O 3.17Å; T160-T199 PolarHBondContact OG1-OG1 2.81Å; T160-I235 CarbonylContact O-C 3.51Å; T160-K236 HydrophobicContact CG2-CB 4.15Å; T160-K236 HydrophobicContact CG2-CD 4.16Å; T160-K236 PolarHBondContact O-N 2.77Å; T160-E237 WeakPolarHBondContact CB-OE1 3.4Å; T160-E237 PolarHBondContact N-O 2.76Å; T160-E237 PolarHBondContact OG1-OE1 3.06Å
161	Y	92.2	Very high	83.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.9	-174	77.4	-86	0	0	0	113	F159 I163 L189 G190 T192 Y197 E198 V200 L233 H234	F159-Y161 HydrophobicContact CD2-CD1 4.13Å; F159-Y161 AromaticContact CE2-CD1 3.86Å; F159-Y161 HydrophobicContact CE2-CD1 3.86Å; F159-Y161 HydrophobicContact CE2-CG 4.4Å; Y161-I163 HydrophobicContact CD2-CD1 4.17Å; Y161-I163 HydrophobicContact CD2-CG1 3.93Å; Y161-I163 HydrophobicContact CE2-CD1 3.9Å; Y161-I163 HydrophobicContact CE2-CG1 4Å; Y161-L189 HydrophobicContact CD1-CD2 4.46Å; Y161-L189 HydrophobicContact CD2-CB 4.38Å; Y161-L189 HydrophobicContact CD2-CD1 4.41Å; Y161-L189 HydrophobicContact CE1-CB 4.37Å; Y161-L189 HydrophobicContact CE1-CD2 4.03Å; Y161-L189 HydrophobicContact CE2-CB 3.77Å; Y161-L189 HydrophobicContact CG-CD1 4.43Å; Y161-G190 VanDerWaalsContact CE2-O 3.25Å; Y161-G190 WeakPolarHBondContact CE2-O 3.48Å; Y161-G190 PolarHBondContact OH-N 3.07Å; Y161-G190 PolarHBondContact OH-O 3.18Å; Y161-G190 VanDerWaalsContact OH-O 3.1Å; Y161-T192 HydrophobicContact CD2-CG2 4.18Å; Y161-T192 HydrophobicContact CE2-CG2 3.72Å; Y161-Y197 WeakPolarHBondContact O-CA 3.48Å; Y161-E198 WeakPolarHBondContact CD1-O 3.14Å; Y161-E198 HydrophobicContact CE1-CB 4.18Å; Y161-E198 PolarHBondContact N-O 3.44Å; Y161-E198 PolarHBondContact O-N 3.21Å; Y161-E198 PolarHBondContact OH-OE2 3.28Å; Y161-V200 HydrophobicContact CD1-CG2 4.09Å; Y161-V200 HydrophobicContact CE1-CG1 3.8Å; Y161-V200 HydrophobicContact CE1-CG2 4.01Å; Y161-L233 HydrophobicContact CD2-CD1 3.87Å; Y161-L233 HydrophobicContact CG-CD1 4.3Å; Y161-H234 CarbonylContact C-O 3.55Å; Y161-H234 WeakPolarHBondContact CA-O 3.37Å; Y161-H234 WeakPolarHBondContact CB-O 3.31Å
162	Q	84.8	Confident	83.2	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.019	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137	172.4	172.2	178.3	24.9	0	0	110.1	Q164 T192 G193 S194 Y197 H234	Q162-Q164 HydrophobicContact CG-CG 4.07Å; Q162-T192 WeakPolarHBondContact CA-OG1 3.31Å; Q162-T192 WeakPolarHBondContact CG-OG1 3.5Å; Q162-G193 PolarHBondContact NE2-O 2.84Å; Q162-S194 PolarHBondContact NE2-O 2.04Å; Q162-Y197 HydrophobicContact CB-CD1 3.67Å; Q162-Y197 HydrophobicContact CB-CD2 4.42Å; Q162-Y197 HydrophobicContact CB-CE1 3.56Å; Q162-Y197 HydrophobicContact CB-CE2 4.27Å; Q162-Y197 HydrophobicContact CB-CG 4.12Å; Q162-Y197 PolarHBondContact OE1-OH 3.14Å; Q162-H234 HydrophobicContact CB-CB 4.23Å; Q162-H234 PolarHBondContact N-O 3Å; Q162-H234 PolarHBondContact O-N 3.1Å
163	I	80.8	Confident	83.4	Confident	5 Å²	5	23.2 Å²	23.2	3%	0.026	13%	0.129	C	C	.	.			trans	-130.5	111.7	169.5	-53.6	173.2	0	0	0	107.4	Y161 A170 L189 L191 T192 G193 L233	Y161-I163 HydrophobicContact CD2-CD1 4.17Å; Y161-I163 HydrophobicContact CD2-CG1 3.93Å; Y161-I163 HydrophobicContact CE2-CD1 3.9Å; Y161-I163 HydrophobicContact CE2-CG1 4Å; I163-A170 HydrophobicContact CD1-CB 3.63Å; I163-L189 HydrophobicContact CD1-CB 4.02Å; I163-L191 HydrophobicContact CB-CD2 4.04Å; I163-L191 HydrophobicContact CG2-CD2 3.51Å; I163-T192 PolarHBondContact N-OG1 3.29Å; I163-T192 PolarHBondContact O-N 3.33Å; I163-T192 PolarHBondContact O-OG1 3.05Å; I163-G193 PolarHBondContact O-N 2.83Å; I163-G193 VanDerWaalsContact O-N 3.12Å; I163-L233 HydrophobicContact CD1-CD1 4.09Å; I163-L233 HydrophobicContact CG1-CD1 3.69Å
164	Q	67	Low	83.5	Confident	63 Å²	63	19.7 Å²	19.7	29%	0.294	11%	0.114	S	C	.	.			trans	-80.1	-36.7	-173.1	-65.9	-179.4	-2.9	0	0	113.1	Q162	Q162-Q164 HydrophobicContact CG-CG 4.07Å
165	E	62.8	Low	83.3	Confident	26 Å²	26	17.1 Å²	17.1	12%	0.121	9%	0.09	C	C	.	.	S	Bend	trans	-124	150.2	-160.5	-81.7	163.1	-161.1	0	0	114.5	L191 K229	E165-L191 WeakPolarHBondContact O-CD2 3.48Å; E165-K229 VanDerWaalsContact OE1-CD 3.24Å; E165-K229 WeakPolarHBondContact OE1-CD 3.41Å; E165-K229 VanDerWaalsContact OE1-CE 3.3Å; E165-K229 WeakPolarHBondContact OE1-CE 3.25Å; E165-K229 IonicContact OE1-NZ 2.75Å; E165-K229 PolarHBondContact OE1-NZ 3.49Å; E165-K229 WeakPolarHBondContact OE2-CB 3.48Å; E165-K229 VanDerWaalsContact OE2-CD 3.26Å; E165-K229 WeakPolarHBondContact OE2-CD 3.13Å; E165-K229 WeakPolarHBondContact OE2-CE 3.5Å; E165-K229 VanDerWaalsContact OE2-CG 3.25Å; E165-K229 WeakPolarHBondContact OE2-CG 3.48Å; E165-K229 IonicContact OE2-NZ 3.68Å
166	Y	60.7	Low	83	Confident	82 Å²	82	18.7 Å²	18.7	32%	0.322	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	117.6	169.9	-66.2	-92.1	0	0	0	109	L191 T730	Y166-L191 HydrophobicContact CD1-CD1 3.35Å; Y166-L191 HydrophobicContact CD2-CD1 4.36Å; Y166-L191 HydrophobicContact CE1-CD1 3.06Å; Y166-L191 HydrophobicContact CE2-CD1 4.13Å; Y166-L191 HydrophobicContact CG-CD1 4.01Å; Y166-L191 VanDerWaalsContact CZ-CD1 3.48Å; Y166-T730 HydrophobicContact CE1-CG2 4.37Å; Y166-T730 WeakPolarHBondContact CE1-OG1 3.21Å
167	G	63.5	Low	82.2	Confident	23 Å²	23	22 Å²	22	24%	0.237	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	160.3	-24	176.2	0	0	0	0	0	114.2	E218	G167-E218 PolarHBondContact O-N 3.39Å; G167-E218 VanDerWaalsContact O-N 3.1Å
168	G	73.7	Confident	81.5	Confident	3 Å²	3	31.3 Å²	31.3	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.7	176.1	0	0	0	0	0	114	L216 K728	G168-L216 CarbonylContact C-O 3.59Å; G168-L216 WeakPolarHBondContact CA-O 3.31Å; G168-K728 PolarHBondContact O-NZ 2.71Å
169	L	78	Confident	80.6	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.2	164	-70.8	168	0	0	0	109.2	F171 L188 L215 L216 E218 Y677	L169-F171 HydrophobicContact CB-CD2 4.48Å; L169-F171 HydrophobicContact CB-CE2 3.57Å; L169-F171 HydrophobicContact CB-CZ 3.88Å; L169-F171 HydrophobicContact CD1-CE2 4.42Å; L169-F171 HydrophobicContact CD1-CZ 4.19Å; L169-F171 HydrophobicContact CD2-CZ 4.46Å; L169-F171 HydrophobicContact CG-CZ 4.42Å; L169-L188 HydrophobicContact CD2-CD1 3.99Å; L169-L215 WeakPolarHBondContact O-CA 3.27Å; L169-L216 HydrophobicContact CB-CD1 3.88Å; L169-L216 HydrophobicContact CB-CG 4.16Å; L169-L216 HydrophobicContact CD1-CD1 4.11Å; L169-L216 HydrophobicContact CG-CD1 4.47Å; L169-L216 PolarHBondContact N-O 3.44Å; L169-L216 PolarHBondContact O-N 3.32Å; L169-E218 HydrophobicContact CD1-CB 4.13Å; L169-E218 HydrophobicContact CD1-CG 3.84Å; L169-E218 HydrophobicContact CG-CB 4.1Å; L169-E218 HydrophobicContact CG-CG 4.15Å; L169-Y677 HydrophobicContact CD1-CE1 4.27Å; L169-Y677 HydrophobicContact CD1-CE2 3.97Å; L169-Y677 WeakPolarHBondContact CD1-OH 3.13Å
170	A	87.2	Confident	79.7	Confident	2 Å²	2	37.3 Å²	37.3	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.1	177.5	0	0	0	0	0	110	I163 L189 Y214 L215 L233	I163-A170 HydrophobicContact CD1-CB 3.63Å; A170-L189 HydrophobicContact CB-CB 4.01Å; A170-L189 HydrophobicContact CB-CD1 4.16Å; A170-L189 HydrophobicContact CB-CG 4.38Å; A170-L189 PolarHBondContact O-N 3.28Å; A170-Y214 CarbonylContact C-O 3.58Å; A170-Y214 WeakPolarHBondContact CA-O 3.27Å; A170-L215 HydrophobicContact CB-CD1 4.22Å; A170-L233 HydrophobicContact CB-CD2 4.17Å
171	F	85.5	Confident	78.5	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.1	179.5	-54.9	-87.1	0	0	0	110.6	L169 I173 F187 L188 W213 Y214 L216 T671 P672	L169-F171 HydrophobicContact CB-CD2 4.48Å; L169-F171 HydrophobicContact CB-CE2 3.57Å; L169-F171 HydrophobicContact CB-CZ 3.88Å; L169-F171 HydrophobicContact CD1-CE2 4.42Å; L169-F171 HydrophobicContact CD1-CZ 4.19Å; L169-F171 HydrophobicContact CD2-CZ 4.46Å; L169-F171 HydrophobicContact CG-CZ 4.42Å; F171-I173 HydrophobicContact CB-CG1 4.36Å; F171-F187 CarbonylContact C-O 3.56Å; F171-F187 VanDerWaalsContact CA-O 3.26Å; F171-F187 WeakPolarHBondContact CA-O 3.44Å; F171-L188 HydrophobicContact CD1-CB 4.39Å; F171-L188 HydrophobicContact CD1-CD1 3.82Å; F171-L188 HydrophobicContact CE1-CB 4.41Å; F171-L188 HydrophobicContact CE1-CD1 3.35Å; F171-L188 HydrophobicContact CE1-CG 4.49Å; F171-L188 HydrophobicContact CZ-CD1 3.83Å; F171-W213 CarbonylContact O-C 3.6Å; F171-W213 WeakPolarHBondContact O-CA 3.5Å; F171-Y214 PolarHBondContact N-O 2.96Å; F171-Y214 PolarHBondContact O-N 2.87Å; F171-L216 HydrophobicContact CD2-CD2 4.39Å; F171-L216 HydrophobicContact CE2-CD2 4.02Å; F171-L216 HydrophobicContact CE2-CG 4.47Å; F171-T671 HydrophobicContact CD1-CG2 4.19Å; F171-T671 HydrophobicContact CE1-CG2 3.27Å; F171-T671 HydrophobicContact CE2-CG2 4.43Å; F171-T671 HydrophobicContact CZ-CG2 3.43Å; F171-T671 VanDerWaalsContact CZ-CG2 3.43Å; F171-P672 HydrophobicContact CD2-CG 4.47Å
172	F	90.4	Very high	77.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	166.1	-178.6	-110.5	0	0	0	109.5	I157 F159 I174 S186 F187 L189 F202 L211 Q212 W213	I157-F172 HydrophobicContact CD1-CE2 4.33Å; I157-F172 HydrophobicContact CD1-CZ 3.96Å; I157-F172 HydrophobicContact CG2-CE1 3.79Å; I157-F172 HydrophobicContact CG2-CZ 3.73Å; F159-F172 HydrophobicContact CE1-CB 4.38Å; F159-F172 AromaticContact CE1-CD1 3.9Å; F159-F172 HydrophobicContact CE1-CD1 3.9Å; F159-F172 AromaticContact CE1-CD2 3.81Å; F159-F172 HydrophobicContact CE1-CD2 3.81Å; F159-F172 HydrophobicContact CE1-CE1 4.11Å; F159-F172 HydrophobicContact CE1-CE2 4.03Å; F159-F172 AromaticContact CE1-CG 3.75Å; F159-F172 HydrophobicContact CE1-CG 3.75Å; F159-F172 HydrophobicContact CE1-CZ 4.18Å; F159-F172 HydrophobicContact CZ-CB 3.93Å; F159-F172 HydrophobicContact CZ-CD1 4.28Å; F159-F172 AromaticContact CZ-CD2 4Å; F159-F172 HydrophobicContact CZ-CD2 4Å; F159-F172 AromaticContact CZ-CG 3.79Å; F159-F172 HydrophobicContact CZ-CG 3.79Å; F172-I174 HydrophobicContact CD1-CG1 4.48Å; F172-I174 HydrophobicContact CE1-CD1 3.99Å; F172-I174 HydrophobicContact CE1-CG1 3.74Å; F172-I174 HydrophobicContact CZ-CG1 4.18Å; F172-S186 WeakPolarHBondContact O-CA 3.11Å; F172-F187 AromaticContact CD1-CD2 3.93Å; F172-F187 HydrophobicContact CD1-CD2 3.93Å; F172-F187 PolarHBondContact N-O 3.35Å; F172-F187 WeakPolarHBondContact O-CD2 3.15Å; F172-F187 PolarHBondContact O-N 3.25Å; F172-L189 HydrophobicContact CB-CD2 4.21Å; F172-F202 HydrophobicContact CB-CE2 4.45Å; F172-F202 AromaticContact CD1-CD2 3.34Å; F172-F202 HydrophobicContact CD1-CD2 3.34Å; F172-F202 AromaticContact CD1-CE2 3.5Å; F172-F202 HydrophobicContact CD1-CE2 3.5Å; F172-F202 VanDerWaalsContact CD1-CE2 3.5Å; F172-F202 HydrophobicContact CD1-CG 4.06Å; F172-F202 HydrophobicContact CD1-CZ 4.34Å; F172-F202 HydrophobicContact CE1-CB 4.25Å; F172-F202 AromaticContact CE1-CD2 3.47Å; F172-F202 HydrophobicContact CE1-CD2 3.47Å; F172-F202 VanDerWaalsContact CE1-CD2 3.47Å; F172-F202 HydrophobicContact CE1-CE2 4.11Å; F172-F202 HydrophobicContact CE1-CG 4.06Å; F172-F202 HydrophobicContact CG-CD2 4.4Å; F172-F202 HydrophobicContact CG-CE2 4.23Å; F172-L211 HydrophobicContact CE2-CB 4.05Å; F172-L211 HydrophobicContact CZ-CB 4Å; F172-L211 HydrophobicContact CZ-CD2 4.17Å; F172-Q212 CarbonylContact C-O 3.56Å; F172-Q212 WeakPolarHBondContact CA-O 3.37Å; F172-W213 AromaticContact CD2-CD1 3.77Å; F172-W213 AromaticContact CD2-CD2 3.91Å; F172-W213 HydrophobicContact CD2-CD2 3.91Å; F172-W213 AromaticContact CD2-CE2 3.62Å; F172-W213 HydrophobicContact CD2-CG 4.02Å; F172-W213 HydrophobicContact CD2-CZ2 4.15Å; F172-W213 AromaticContact CD2-NE1 3.51Å; F172-W213 HydrophobicContact CE2-CD2 4.03Å; F172-W213 AromaticContact CE2-CE2 3.58Å; F172-W213 HydrophobicContact CE2-CE3 4.45Å; F172-W213 HydrophobicContact CE2-CH2 4.1Å; F172-W213 AromaticContact CE2-CZ2 3.63Å; F172-W213 HydrophobicContact CE2-CZ2 3.63Å; F172-W213 HydrophobicContact CE2-CZ3 4.48Å; F172-W213 AromaticContact CE2-NE1 3.92Å
173	I	88.3	Confident	76.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.3	-174.7	-55.1	-179.1	0	0	0	110.3	F171 R175 Q181 G185 Q212 Y214	F171-I173 HydrophobicContact CB-CG1 4.36Å; I173-R175 HydrophobicContact CG2-CG 4.13Å; I173-Q181 HydrophobicContact CG2-CG 4.44Å; I173-G185 CarbonylContact C-O 3.15Å; I173-G185 VanDerWaalsContact CA-O 3.3Å; I173-G185 WeakPolarHBondContact CA-O 3.15Å; I173-Q212 PolarHBondContact N-O 3.49Å; I173-Q212 PolarHBondContact O-N 3.04Å; I173-Y214 HydrophobicContact CB-CE2 4.46Å; I173-Y214 HydrophobicContact CD1-CD2 3.78Å; I173-Y214 HydrophobicContact CD1-CE2 3.78Å; I173-Y214 HydrophobicContact CG1-CD2 4.18Å; I173-Y214 HydrophobicContact CG1-CE2 4.36Å
174	I	88.6	Confident	75.4	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121	173	-51.3	-178.3	0	0	0	109.1	F172 L182 G185 F187 F202 S203 L211	F172-I174 HydrophobicContact CD1-CG1 4.48Å; F172-I174 HydrophobicContact CE1-CD1 3.99Å; F172-I174 HydrophobicContact CE1-CG1 3.74Å; F172-I174 HydrophobicContact CZ-CG1 4.18Å; I174-L182 HydrophobicContact CB-CD1 4.28Å; I174-L182 HydrophobicContact CG2-CD1 3.64Å; I174-G185 PolarHBondContact N-O 3.33Å; I174-F187 HydrophobicContact CD1-CE2 4.19Å; I174-F187 HydrophobicContact CG1-CE2 4.38Å; I174-F202 HydrophobicContact CD1-CB 4.12Å; I174-S203 WeakPolarHBondContact CD1-O 3.45Å; I174-L211 HydrophobicContact CB-CD2 4.13Å; I174-L211 HydrophobicContact CD1-CD2 4.22Å; I174-L211 HydrophobicContact CG1-CD2 3.74Å; I174-L211 HydrophobicContact CG2-CD2 3.72Å
175	R	87.5	Confident	75.4	Confident	49 Å²	49	47.5 Å²	47.5	19%	0.185	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.1	174.2	-66.3	-179.8	173.8	143.2	-2.6	110.6	I173 N209 I210 Y214	I173-R175 HydrophobicContact CG2-CG 4.13Å; R175-N209 CarbonylContact O-C 3.19Å; R175-N209 WeakPolarHBondContact O-CA 3.32Å; R175-I210 HydrophobicContact CB-CB 4.35Å; R175-I210 PolarHBondContact N-O 3.14Å; R175-I210 PolarHBondContact O-N 3.45Å; R175-Y214 PolarHBondContact NH1-OH 2.94Å
176	N	83.1	Confident	76.1	Confident	41 Å²	41	47.6 Å²	47.6	22%	0.219	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	179	170.1	67.4	10	0	0	0	112.1	R178 C179 T180	N176-R178 PolarHBondContact O-N 3.33Å; N176-R178 VanDerWaalsContact O-N 3.12Å; N176-R178 PolarHBondContact OD1-N 3.31Å; N176-R178 VanDerWaalsContact OD1-N 3.14Å; N176-C179 PolarHBondContact O-N 3.09Å; N176-T180 PolarHBondContact N-O 3.42Å; N176-T180 VanDerWaalsContact N-O 3.15Å; N176-T180 PolarHBondContact ND2-OG1 3.5Å; N176-T180 PolarHBondContact OD1-N 3.19Å; N176-T180 PolarHBondContact OD1-O 3.41Å; N176-T180 PolarHBondContact OD1-OG1 3.29Å
177	E	77.4	Confident	77	Confident	119 Å²	119	46.2 Å²	46.2	56%	0.556	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-28.1	176	50.5	167.6	-144.3	0	0	115.7	C179 H208	E177-C179 PolarHBondContact O-N 3.22Å; E177-H208 HydrophobicContact CB-CB 3.83Å; E177-H208 PolarHBondContact N-O 2.91Å; E177-H208 IonicContact OE2-CD2 3.59Å
178	R	79.8	Confident	77.6	Confident	196 Å²	196	46.7 Å²	46.7	74%	0.74	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	11.6	178.4	-61.2	-175.4	-173.9	172.8	0	112.6	N176 T180	N176-R178 PolarHBondContact O-N 3.33Å; N176-R178 VanDerWaalsContact O-N 3.12Å; N176-R178 PolarHBondContact OD1-N 3.31Å; N176-R178 VanDerWaalsContact OD1-N 3.14Å; R178-T180 HydrophobicContact CB-CG2 4.28Å; R178-T180 PolarHBondContact O-N 3.21Å; R178-T180 VanDerWaalsContact O-N 3.09Å
179	C	74.4	Confident	78	Confident	83 Å²	83	46.6 Å²	46.6	56%	0.561	25%	0.25	S	C	*	.	S	Bend	trans	57.3	17.9	-172.7	-59.9	0	0	0	0	114	N176 E177	N176-C179 PolarHBondContact O-N 3.09Å; E177-C179 PolarHBondContact O-N 3.22Å
180	T	75.5	Confident	77.6	Confident	74 Å²	74	46.7 Å²	46.7	45%	0.454	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-85.5	137.1	175.6	60.1	0	0	0	0	109.9	N176 R178	N176-T180 PolarHBondContact N-O 3.42Å; N176-T180 VanDerWaalsContact N-O 3.15Å; N176-T180 PolarHBondContact ND2-OG1 3.5Å; N176-T180 PolarHBondContact OD1-N 3.19Å; N176-T180 PolarHBondContact OD1-O 3.41Å; N176-T180 PolarHBondContact OD1-OG1 3.29Å; R178-T180 HydrophobicContact CB-CG2 4.28Å; R178-T180 PolarHBondContact O-N 3.21Å; R178-T180 VanDerWaalsContact O-N 3.09Å
181	Q	67.7	Low	76.7	Confident	67 Å²	67	46.9 Å²	46.9	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.4	179.9	-173.6	180	-24.2	0	0	110.4	I173 S186	I173-Q181 HydrophobicContact CG2-CG 4.44Å; Q181-S186 VanDerWaalsContact NE2-CB 3.28Å; Q181-S186 PolarHBondContact NE2-OG 2.74Å; Q181-S186 VanDerWaalsContact NE2-OG 3.11Å
182	L	67.4	Low	75.8	Confident	49 Å²	49	47.2 Å²	47.2	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142.3	172.4	-65.7	165.6	0	0	0	109.9	I174 G184 G185 P205	I174-L182 HydrophobicContact CB-CD1 4.28Å; I174-L182 HydrophobicContact CG2-CD1 3.64Å; L182-G184 PolarHBondContact O-N 2.72Å; L182-G185 PolarHBondContact O-N 3.49Å; L182-P205 HydrophobicContact CD1-CG 3.65Å
183	P	61.3	Low	74.4	Confident	132 Å²	132	48.2 Å²	48.2	86%	0.857	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	116.4	173.4	-22.7	31.7	0	0	0	110.8	G185	P183-G185 VanDerWaalsContact C-N 3.33Å
184	G	64	Low	72.9	Confident	37 Å²	37	51.5 Å²	51.5	38%	0.381	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.7	12.5	-175.5	0	0	0	0	0	115.6	L182 S186 F187	L182-G184 PolarHBondContact O-N 2.72Å; G184-S186 VanDerWaalsContact C-N 3.25Å; G184-S186 PolarHBondContact O-N 2.88Å; G184-F187 WeakPolarHBondContact O-CE1 3.08Å; G184-F187 WeakPolarHBondContact O-CZ 3.44Å
185	G	67.4	Low	71.5	Confident	5 Å²	5	58.6 Å²	58.6	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	18.3	178.7	0	0	0	0	0	115.2	I173 I174 L182 P183	I173-G185 CarbonylContact C-O 3.15Å; I173-G185 VanDerWaalsContact CA-O 3.3Å; I173-G185 WeakPolarHBondContact CA-O 3.15Å; I174-G185 PolarHBondContact N-O 3.33Å; L182-G185 PolarHBondContact O-N 3.49Å; P183-G185 VanDerWaalsContact C-N 3.33Å
186	S	76.1	Confident	70.4	Confident	28 Å²	28	58.2 Å²	58.2	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.1	171.4	59.3	0	0	0	0	110	F172 Q181 G184 S673	F172-S186 WeakPolarHBondContact O-CA 3.11Å; Q181-S186 VanDerWaalsContact NE2-CB 3.28Å; Q181-S186 PolarHBondContact NE2-OG 2.74Å; Q181-S186 VanDerWaalsContact NE2-OG 3.11Å; G184-S186 VanDerWaalsContact C-N 3.25Å; G184-S186 PolarHBondContact O-N 2.88Å; S186-S673 WeakPolarHBondContact CB-OG 3.49Å; S186-S673 PolarHBondContact OG-OG 2.85Å
187	F	79.5	Confident	70.1	Confident	54 Å²	54	59 Å²	59	24%	0.237	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.8	-173	-51.2	-81.7	0	0	0	108.9	F171 F172 I174 G184 F202	F171-F187 CarbonylContact C-O 3.56Å; F171-F187 VanDerWaalsContact CA-O 3.26Å; F171-F187 WeakPolarHBondContact CA-O 3.44Å; F172-F187 AromaticContact CD1-CD2 3.93Å; F172-F187 HydrophobicContact CD1-CD2 3.93Å; F172-F187 PolarHBondContact N-O 3.35Å; F172-F187 WeakPolarHBondContact O-CD2 3.15Å; F172-F187 PolarHBondContact O-N 3.25Å; I174-F187 HydrophobicContact CD1-CE2 4.19Å; I174-F187 HydrophobicContact CG1-CE2 4.38Å; G184-F187 WeakPolarHBondContact O-CE1 3.08Å; G184-F187 WeakPolarHBondContact O-CZ 3.44Å; F187-F202 HydrophobicContact CB-CD1 4.47Å; F187-F202 HydrophobicContact CB-CE1 3.64Å; F187-F202 HydrophobicContact CB-CZ 3.66Å; F187-F202 AromaticContact CD1-CD1 3.62Å; F187-F202 HydrophobicContact CD1-CD1 3.62Å; F187-F202 AromaticContact CD1-CE1 3.28Å; F187-F202 HydrophobicContact CD1-CE1 3.28Å; F187-F202 HydrophobicContact CD1-CZ 4.2Å; F187-F202 AromaticContact CD2-CD1 3.63Å; F187-F202 HydrophobicContact CD2-CD1 3.63Å; F187-F202 HydrophobicContact CD2-CD2 4.49Å; F187-F202 AromaticContact CD2-CE1 3.67Å; F187-F202 HydrophobicContact CD2-CE1 3.67Å; F187-F202 HydrophobicContact CD2-CG 4.07Å; F187-F202 HydrophobicContact CD2-CZ 4.11Å; F187-F202 AromaticContact CE1-CD1 3.58Å; F187-F202 HydrophobicContact CE1-CD1 3.58Å; F187-F202 AromaticContact CE1-CE1 3.75Å; F187-F202 HydrophobicContact CE1-CE1 3.75Å; F187-F202 HydrophobicContact CE2-CB 4.31Å; F187-F202 AromaticContact CE2-CD1 3.6Å; F187-F202 HydrophobicContact CE2-CD1 3.6Å; F187-F202 HydrophobicContact CE2-CE1 4.11Å; F187-F202 AromaticContact CE2-CG 3.98Å; F187-F202 HydrophobicContact CE2-CG 3.98Å; F187-F202 AromaticContact CG-CD1 3.63Å; F187-F202 HydrophobicContact CG-CD1 3.63Å; F187-F202 AromaticContact CG-CE1 3.21Å; F187-F202 HydrophobicContact CG-CE1 3.21Å; F187-F202 HydrophobicContact CG-CG 4.45Å; F187-F202 AromaticContact CG-CZ 3.73Å; F187-F202 HydrophobicContact CG-CZ 3.73Å; F187-F202 AromaticContact CZ-CD1 3.57Å; F187-F202 HydrophobicContact CZ-CD1 3.57Å; F187-F202 HydrophobicContact CZ-CE1 4.14Å; F187-F202 HydrophobicContact CZ-CG 4.29Å
188	L	77.2	Confident	70.1	Confident	33 Å²	33	56.2 Å²	56.2	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.5	171.2	-177.8	81.7	0	0	0	108.9	L169 F171 F715 S727	L169-L188 HydrophobicContact CD2-CD1 3.99Å; F171-L188 HydrophobicContact CD1-CB 4.39Å; F171-L188 HydrophobicContact CD1-CD1 3.82Å; F171-L188 HydrophobicContact CE1-CB 4.41Å; F171-L188 HydrophobicContact CE1-CD1 3.35Å; F171-L188 HydrophobicContact CE1-CG 4.49Å; F171-L188 HydrophobicContact CZ-CD1 3.83Å; L188-F715 HydrophobicContact CB-CZ 4.27Å; L188-F715 HydrophobicContact CD1-CE1 4.36Å; L188-F715 HydrophobicContact CD1-CZ 3.93Å; L188-F715 HydrophobicContact CD2-CE1 4.27Å; L188-F715 HydrophobicContact CD2-CE2 3.47Å; L188-F715 VanDerWaalsContact CD2-CE2 3.47Å; L188-F715 HydrophobicContact CD2-CZ 3.28Å; L188-F715 HydrophobicContact CG-CZ 4.01Å; L188-S727 VanDerWaalsContact CD2-OG 3.26Å; L188-S727 WeakPolarHBondContact CD2-OG 3.45Å
189	L	81.8	Confident	70.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88	121.5	170.4	-55.2	-175.9	0	0	0	109.7	F159 Y161 I163 A170 F172 V200 L233	F159-L189 HydrophobicContact CE2-CD1 4.02Å; F159-L189 HydrophobicContact CE2-CD2 3.96Å; F159-L189 HydrophobicContact CZ-CD1 4.36Å; F159-L189 HydrophobicContact CZ-CD2 3.84Å; Y161-L189 HydrophobicContact CD1-CD2 4.46Å; Y161-L189 HydrophobicContact CD2-CB 4.38Å; Y161-L189 HydrophobicContact CD2-CD1 4.41Å; Y161-L189 HydrophobicContact CE1-CB 4.37Å; Y161-L189 HydrophobicContact CE1-CD2 4.03Å; Y161-L189 HydrophobicContact CE2-CB 3.77Å; Y161-L189 HydrophobicContact CG-CD1 4.43Å; I163-L189 HydrophobicContact CD1-CB 4.02Å; A170-L189 HydrophobicContact CB-CB 4.01Å; A170-L189 HydrophobicContact CB-CD1 4.16Å; A170-L189 HydrophobicContact CB-CG 4.38Å; A170-L189 PolarHBondContact O-N 3.28Å; F172-L189 HydrophobicContact CB-CD2 4.21Å; L189-V200 HydrophobicContact CD2-CG2 4.37Å; L189-L233 HydrophobicContact CD1-CD1 4.25Å; L189-L233 HydrophobicContact CD1-CD2 4.16Å
190	G	69.9	Low	71	Confident	3 Å²	3	47 Å²	47	3%	0.031	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69.4	162.5	177.8	0	0	0	0	0	113.3	Y161	Y161-G190 VanDerWaalsContact CE2-O 3.25Å; Y161-G190 WeakPolarHBondContact CE2-O 3.48Å; Y161-G190 PolarHBondContact OH-N 3.07Å; Y161-G190 PolarHBondContact OH-O 3.18Å; Y161-G190 VanDerWaalsContact OH-O 3.1Å
191	L	68.1	Low	71.7	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.037	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-79.2	122.9	176.3	-73.2	169.5	0	0	0	110.5	I163 E165 Y166 K728	I163-L191 HydrophobicContact CB-CD2 4.04Å; I163-L191 HydrophobicContact CG2-CD2 3.51Å; E165-L191 WeakPolarHBondContact O-CD2 3.48Å; Y166-L191 HydrophobicContact CD1-CD1 3.35Å; Y166-L191 HydrophobicContact CD2-CD1 4.36Å; Y166-L191 HydrophobicContact CE1-CD1 3.06Å; Y166-L191 HydrophobicContact CE2-CD1 4.13Å; Y166-L191 HydrophobicContact CG-CD1 4.01Å; Y166-L191 VanDerWaalsContact CZ-CD1 3.48Å; L191-K728 HydrophobicContact CD1-CB 4.28Å; L191-K728 HydrophobicContact CD1-CD 3.93Å; L191-K728 HydrophobicContact CD1-CG 3.9Å; L191-K728 HydrophobicContact CG-CD 4.15Å; L191-K728 HydrophobicContact CG-CG 4.07Å
192	T	67.4	Low	72.7	Confident	11 Å²	11	44.2 Å²	44.2	7%	0.067	26%	0.259	C	S	.	.			trans	-87.4	-25.3	177.8	68.9	0	0	0	0	111.8	Y161 Q162 I163 A196 E198	Y161-T192 HydrophobicContact CD2-CG2 4.18Å; Y161-T192 HydrophobicContact CE2-CG2 3.72Å; Q162-T192 WeakPolarHBondContact CA-OG1 3.31Å; Q162-T192 WeakPolarHBondContact CG-OG1 3.5Å; I163-T192 PolarHBondContact N-OG1 3.29Å; I163-T192 PolarHBondContact O-N 3.33Å; I163-T192 PolarHBondContact O-OG1 3.05Å; T192-A196 WeakPolarHBondContact CB-O 3.26Å; T192-A196 WeakPolarHBondContact O-CB 3.38Å; T192-A196 PolarHBondContact OG1-O 2.73Å; T192-E198 HydrophobicContact CG2-CB 3.74Å; T192-E198 HydrophobicContact CG2-CG 3.66Å
193	G	59.1	Low	73.7	Confident	20 Å²	20	46.5 Å²	46.5	21%	0.206	28%	0.279	C	S	.	.			trans	87.7	-176.7	-177.3	0	0	0	0	0	113.4	Q162 I163 Y195	Q162-G193 PolarHBondContact NE2-O 2.84Å; I163-G193 PolarHBondContact O-N 2.83Å; I163-G193 VanDerWaalsContact O-N 3.12Å; G193-Y195 VanDerWaalsContact C-N 3.25Å; G193-Y195 PolarHBondContact O-N 3.23Å
194	S	58.3	Low	75.1	Confident	69 Å²	69	40.3 Å²	40.3	48%	0.483	24%	0.239	S	C	.	.	S	Bend	trans	-66.3	-22.5	-169.5	-56.4	0	0	0	0	114.5	Q162	Q162-S194 PolarHBondContact NE2-O 2.04Å
195	Y	57.7	Low	76.3	Confident	153 Å²	153	40.9 Å²	40.9	60%	0.6	24%	0.236	S	C	*	.	S	Bend	trans	-134.1	8	-169.1	-51.9	-71.1	0	0	0	115.1	G193	G193-Y195 VanDerWaalsContact C-N 3.25Å; G193-Y195 PolarHBondContact O-N 3.23Å
196	A	66.1	Low	77.2	Confident	42 Å²	42	44.7 Å²	44.7	35%	0.347	26%	0.258	S	S	.	.			trans	-119	142.3	177.9	0	0	0	0	0	111.5	T192	T192-A196 WeakPolarHBondContact CB-O 3.26Å; T192-A196 WeakPolarHBondContact O-CB 3.38Å; T192-A196 PolarHBondContact OG1-O 2.73Å
197	Y	76.4	Confident	77.7	Confident	56 Å²	56	44.1 Å²	44.1	22%	0.22	26%	0.257	C	S	.	.			trans	-105.5	144.9	164.3	-77.8	-98.8	0	0	0	108.2	T160 Y161 Q162 K236 F415	T160-Y197 HydrophobicContact CG2-CD1 4.02Å; T160-Y197 HydrophobicContact CG2-CG 4.28Å; Y161-Y197 WeakPolarHBondContact O-CA 3.48Å; Q162-Y197 HydrophobicContact CB-CD1 3.67Å; Q162-Y197 HydrophobicContact CB-CD2 4.42Å; Q162-Y197 HydrophobicContact CB-CE1 3.56Å; Q162-Y197 HydrophobicContact CB-CE2 4.27Å; Q162-Y197 HydrophobicContact CB-CG 4.12Å; Q162-Y197 PolarHBondContact OE1-OH 3.14Å; Y197-K236 HydrophobicContact CD1-CB 3.97Å; Y197-K236 HydrophobicContact CD1-CD 4.25Å; Y197-K236 HydrophobicContact CE1-CB 3.85Å; Y197-K236 HydrophobicContact CE1-CD 4.4Å; Y197-F415 HydrophobicContact CD2-CZ 4.44Å; Y197-F415 AromaticContact CE2-CE2 3.79Å; Y197-F415 HydrophobicContact CE2-CE2 3.79Å; Y197-F415 AromaticContact CE2-CZ 3.48Å; Y197-F415 HydrophobicContact CE2-CZ 3.48Å; Y197-F415 VanDerWaalsContact CE2-CZ 3.48Å
198	E	77.2	Confident	78.1	Confident	62 Å²	62	46.4 Å²	46.4	29%	0.29	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146	173.5	-75.2	-170.9	-178.4	0	0	111.1	T160 Y161 T192 Y700	T160-E198 CarbonylContact C-O 3.55Å; T160-E198 VanDerWaalsContact CA-O 3.26Å; T160-E198 WeakPolarHBondContact CA-O 3.17Å; Y161-E198 WeakPolarHBondContact CD1-O 3.14Å; Y161-E198 HydrophobicContact CE1-CB 4.18Å; Y161-E198 PolarHBondContact N-O 3.44Å; Y161-E198 PolarHBondContact O-N 3.21Å; Y161-E198 PolarHBondContact OH-OE2 3.28Å; T192-E198 HydrophobicContact CG2-CB 3.74Å; T192-E198 HydrophobicContact CG2-CG 3.66Å; E198-Y700 WeakPolarHBondContact OE2-CE1 3.34Å
199	T	86.8	Confident	78.7	Confident	83 Å²	83	45.1 Å²	45.1	51%	0.509	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.6	179.1	-54.5	0	0	0	0	109.6	T158 F159 T160	T158-T199 HydrophobicContact CG2-CG2 3.46Å; T158-T199 VanDerWaalsContact CG2-CG2 3.46Å; F159-T199 WeakPolarHBondContact O-CA 3.46Å; T160-T199 PolarHBondContact OG1-OG1 2.81Å
200	V	86.3	Confident	79.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.9	179.8	-70.7	0	0	0	0	111	T158 F159 Y161 L189 F202 Y700	T158-V200 CarbonylContact C-O 3.55Å; T158-V200 WeakPolarHBondContact CA-O 3.41Å; F159-V200 HydrophobicContact CD1-CG2 4.08Å; F159-V200 HydrophobicContact CD2-CG2 3.79Å; F159-V200 HydrophobicContact CE1-CG2 3.71Å; F159-V200 HydrophobicContact CE2-CG2 3.38Å; F159-V200 HydrophobicContact CG-CG2 4.12Å; F159-V200 HydrophobicContact CZ-CG2 3.34Å; F159-V200 PolarHBondContact N-O 3.21Å; F159-V200 PolarHBondContact O-N 3.1Å; Y161-V200 HydrophobicContact CD1-CG2 4.09Å; Y161-V200 HydrophobicContact CE1-CG1 3.8Å; Y161-V200 HydrophobicContact CE1-CG2 4.01Å; L189-V200 HydrophobicContact CD2-CG2 4.37Å; V200-F202 HydrophobicContact CB-CE2 3.88Å; V200-F202 HydrophobicContact CB-CZ 3.97Å; V200-F202 HydrophobicContact CG2-CE2 3.65Å; V200-F202 HydrophobicContact CG2-CZ 4.12Å; V200-Y700 HydrophobicContact CG1-CE1 4.22Å
201	T	90.4	Very high	80.2	Confident	72 Å²	72	46.3 Å²	46.3	44%	0.442	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.6	-179.3	-60.1	0	0	0	0	111.7	T156 I157 T158	T156-T201 HydrophobicContact CG2-CG2 4.42Å; I157-T201 CarbonylContact O-C 3.57Å; I157-T201 VanDerWaalsContact O-CA 3.28Å; I157-T201 WeakPolarHBondContact O-CA 3.08Å; T158-T201 WeakPolarHBondContact CG2-OG1 3.29Å; T158-T201 WeakPolarHBondContact OG1-CG2 2.99Å; T158-T201 PolarHBondContact OG1-OG1 3.27Å
202	F	89	Confident	81.4	Confident	11 Å²	11	46.9 Å²	46.9	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.8	-180	-53.6	-73.3	0	0	0	111.7	T156 I157 F159 F172 I174 F187 V200 I699	T156-F202 CarbonylContact C-O 3.55Å; T156-F202 VanDerWaalsContact CA-O 3.23Å; T156-F202 WeakPolarHBondContact CA-O 3.06Å; I157-F202 HydrophobicContact CG2-CB 4Å; I157-F202 HydrophobicContact CG2-CD2 4.43Å; I157-F202 PolarHBondContact N-O 3.17Å; I157-F202 PolarHBondContact O-N 3.13Å; F159-F202 AromaticContact CE1-CD2 3.94Å; F159-F202 HydrophobicContact CE1-CD2 3.94Å; F159-F202 AromaticContact CE1-CE2 3.68Å; F159-F202 HydrophobicContact CE1-CE2 3.68Å; F159-F202 AromaticContact CZ-CE2 3.88Å; F159-F202 HydrophobicContact CZ-CE2 3.88Å; F172-F202 HydrophobicContact CB-CE2 4.45Å; F172-F202 AromaticContact CD1-CD2 3.34Å; F172-F202 HydrophobicContact CD1-CD2 3.34Å; F172-F202 AromaticContact CD1-CE2 3.5Å; F172-F202 HydrophobicContact CD1-CE2 3.5Å; F172-F202 VanDerWaalsContact CD1-CE2 3.5Å; F172-F202 HydrophobicContact CD1-CG 4.06Å; F172-F202 HydrophobicContact CD1-CZ 4.34Å; F172-F202 HydrophobicContact CE1-CB 4.25Å; F172-F202 AromaticContact CE1-CD2 3.47Å; F172-F202 HydrophobicContact CE1-CD2 3.47Å; F172-F202 VanDerWaalsContact CE1-CD2 3.47Å; F172-F202 HydrophobicContact CE1-CE2 4.11Å; F172-F202 HydrophobicContact CE1-CG 4.06Å; F172-F202 HydrophobicContact CG-CD2 4.4Å; F172-F202 HydrophobicContact CG-CE2 4.23Å; I174-F202 HydrophobicContact CD1-CB 4.12Å; F187-F202 HydrophobicContact CB-CD1 4.47Å; F187-F202 HydrophobicContact CB-CE1 3.64Å; F187-F202 HydrophobicContact CB-CZ 3.66Å; F187-F202 AromaticContact CD1-CD1 3.62Å; F187-F202 HydrophobicContact CD1-CD1 3.62Å; F187-F202 AromaticContact CD1-CE1 3.28Å; F187-F202 HydrophobicContact CD1-CE1 3.28Å; F187-F202 HydrophobicContact CD1-CZ 4.2Å; F187-F202 AromaticContact CD2-CD1 3.63Å; F187-F202 HydrophobicContact CD2-CD1 3.63Å; F187-F202 HydrophobicContact CD2-CD2 4.49Å; F187-F202 AromaticContact CD2-CE1 3.67Å; F187-F202 HydrophobicContact CD2-CE1 3.67Å; F187-F202 HydrophobicContact CD2-CG 4.07Å; F187-F202 HydrophobicContact CD2-CZ 4.11Å; F187-F202 AromaticContact CE1-CD1 3.58Å; F187-F202 HydrophobicContact CE1-CD1 3.58Å; F187-F202 AromaticContact CE1-CE1 3.75Å; F187-F202 HydrophobicContact CE1-CE1 3.75Å; F187-F202 HydrophobicContact CE2-CB 4.31Å; F187-F202 AromaticContact CE2-CD1 3.6Å; F187-F202 HydrophobicContact CE2-CD1 3.6Å; F187-F202 HydrophobicContact CE2-CE1 4.11Å; F187-F202 AromaticContact CE2-CG 3.98Å; F187-F202 HydrophobicContact CE2-CG 3.98Å; F187-F202 AromaticContact CG-CD1 3.63Å; F187-F202 HydrophobicContact CG-CD1 3.63Å; F187-F202 AromaticContact CG-CE1 3.21Å; F187-F202 HydrophobicContact CG-CE1 3.21Å; F187-F202 HydrophobicContact CG-CG 4.45Å; F187-F202 AromaticContact CG-CZ 3.73Å; F187-F202 HydrophobicContact CG-CZ 3.73Å; F187-F202 AromaticContact CZ-CD1 3.57Å; F187-F202 HydrophobicContact CZ-CD1 3.57Å; F187-F202 HydrophobicContact CZ-CE1 4.14Å; F187-F202 HydrophobicContact CZ-CG 4.29Å; V200-F202 HydrophobicContact CB-CE2 3.88Å; V200-F202 HydrophobicContact CB-CZ 3.97Å; V200-F202 HydrophobicContact CG2-CE2 3.65Å; V200-F202 HydrophobicContact CG2-CZ 4.12Å; F202-I699 HydrophobicContact CE1-CD1 4.04Å
203	S	88.7	Confident	82.7	Confident	98 Å²	98	46.4 Å²	46.4	69%	0.685	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.8	175.8	-55.9	0	0	0	0	111.8	I174	I174-S203 WeakPolarHBondContact CD1-O 3.45Å
204	V	90.1	Very high	84.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.6	178.2	-176.4	0	0	0	0	109	G155 I157 N209 L211 L240	G155-V204 PolarHBondContact N-O 3.5Å; G155-V204 PolarHBondContact O-N 3.26Å; I157-V204 HydrophobicContact CB-CG2 3.97Å; I157-V204 HydrophobicContact CG2-CG2 3.69Å; V204-N209 HydrophobicContact CG1-CB 4.21Å; V204-L211 HydrophobicContact CG2-CD1 4.46Å; V204-L211 HydrophobicContact CG2-CD2 4.3Å; V204-L240 HydrophobicContact CB-CD1 4.37Å; V204-L240 HydrophobicContact CG2-CD1 3.89Å
205	P	88	Confident	85.7	Confident	49 Å²	49	43 Å²	43	32%	0.318	24%	0.237	S	C	.	.			trans	-65	164.3	178.7	-22.3	33.7	0	0	0	113.9	N151 L182 N209	N151-P205 WeakPolarHBondContact CB-O 3.3Å; L182-P205 HydrophobicContact CD1-CG 3.65Å; P205-N209 PolarHBondContact O-ND2 2.99Å
206	V	86.9	Confident	86.9	Confident	85 Å²	85	36.8 Å²	36.8	52%	0.515	21%	0.214	S	C	.	.	S	Bend	trans	-63.4	145.2	169.1	-179	0	0	0	0	110.5	N151 P154	N151-V206 WeakPolarHBondContact O-CG1 3.45Å; P154-V206 HydrophobicContact CG-CG2 3.77Å
207	G	86.7	Confident	87.5	Confident	16 Å²	16	35.4 Å²	35.4	17%	0.165	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.7	-160.2	175.5	0	0	0	0	0	113.4	Y150 N151 N209	Y150-G207 WeakPolarHBondContact CA-O 3.31Å; N151-G207 PolarHBondContact N-O 3.03Å; N151-G207 PolarHBondContact O-N 3.09Å; G207-N209 PolarHBondContact O-ND2 2.86Å
208	H	87.9	Confident	87.2	Confident	102 Å²	102	34.3 Å²	34.3	47%	0.472	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.1	-178.2	-71.6	-74.4	0	0	0	111.4	V149 Y150 E177	V149-H208 WeakPolarHBondContact O-CA 3.33Å; Y150-H208 AromaticContact CD2-CD2 3.67Å; Y150-H208 AromaticContact CD2-CE1 3.38Å; Y150-H208 WeakPolarHBondContact CD2-CE1 3.48Å; Y150-H208 AromaticContact CD2-CG 3.69Å; Y150-H208 AromaticContact CD2-ND1 3.53Å; Y150-H208 AromaticContact CD2-NE2 3.47Å; Y150-H208 WeakPolarHBondContact CD2-NE2 3.42Å; Y150-H208 AromaticContact CE2-CD2 3.89Å; Y150-H208 AromaticContact CE2-NE2 3.66Å; Y150-H208 AromaticContact CG-CE1 3.98Å; E177-H208 HydrophobicContact CB-CB 3.83Å; E177-H208 PolarHBondContact N-O 2.91Å; E177-H208 IonicContact OE2-CD2 3.59Å
209	N	89.6	Confident	86.5	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.7	177.9	-58	-85	0	0	0	110.8	V149 R175 V204 P205 G207	V149-N209 HydrophobicContact CG2-CB 3.86Å; V149-N209 PolarHBondContact N-O 3.41Å; V149-N209 PolarHBondContact O-N 2.74Å; V149-N209 VanDerWaalsContact O-O 3.14Å; R175-N209 CarbonylContact O-C 3.19Å; R175-N209 WeakPolarHBondContact O-CA 3.32Å; V204-N209 HydrophobicContact CG1-CB 4.21Å; P205-N209 PolarHBondContact O-ND2 2.99Å; G207-N209 PolarHBondContact O-ND2 2.86Å
210	I	91	Very high	85.3	Confident	29 Å²	29	31.2 Å²	31.2	15%	0.149	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.2	173.4	-51.3	175.8	0	0	0	106.9	R175 Q212	R175-I210 HydrophobicContact CB-CB 4.35Å; R175-I210 PolarHBondContact N-O 3.14Å; R175-I210 PolarHBondContact O-N 3.45Å; I210-Q212 HydrophobicContact CG2-CG 3.78Å
211	L	93	Very high	83.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.5	-179.3	-51.2	176.2	0	0	0	108	S146 M147 V149 I157 F172 I174 V204 L240	S146-L211 CarbonylContact C-O 3.56Å; S146-L211 WeakPolarHBondContact CA-O 3.49Å; M147-L211 HydrophobicContact CB-CB 4.27Å; M147-L211 HydrophobicContact CE-CB 4.39Å; M147-L211 HydrophobicContact CE-CD1 3.52Å; M147-L211 HydrophobicContact CE-CG 4.49Å; M147-L211 PolarHBondContact N-O 3.21Å; M147-L211 PolarHBondContact O-N 3.04Å; V149-L211 HydrophobicContact CG1-CD1 4.16Å; V149-L211 HydrophobicContact CG2-CD1 3.83Å; V149-L211 HydrophobicContact CG2-CG 4.07Å; I157-L211 HydrophobicContact CB-CD1 4.47Å; I157-L211 HydrophobicContact CD1-CD1 3.62Å; F172-L211 HydrophobicContact CE2-CB 4.05Å; F172-L211 HydrophobicContact CZ-CB 4Å; F172-L211 HydrophobicContact CZ-CD2 4.17Å; I174-L211 HydrophobicContact CB-CD2 4.13Å; I174-L211 HydrophobicContact CD1-CD2 4.22Å; I174-L211 HydrophobicContact CG1-CD2 3.74Å; I174-L211 HydrophobicContact CG2-CD2 3.72Å; V204-L211 HydrophobicContact CG2-CD1 4.46Å; V204-L211 HydrophobicContact CG2-CD2 4.3Å; L211-L240 HydrophobicContact CD1-CD1 4.29Å
212	Q	92.5	Very high	82.2	Confident	19 Å²	19	35.3 Å²	35.3	9%	0.089	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.5	-170.4	-58.6	-174.7	-75.3	0	0	112.6	I144 L145 S146 F172 I173 I210 Y214	I144-Q212 HydrophobicContact CG2-CB 4.25Å; L145-Q212 CarbonylContact O-C 3.6Å; L145-Q212 WeakPolarHBondContact O-CA 3.35Å; S146-Q212 PolarHBondContact OG-NE2 2.9Å; F172-Q212 CarbonylContact C-O 3.56Å; F172-Q212 WeakPolarHBondContact CA-O 3.37Å; I173-Q212 PolarHBondContact N-O 3.49Å; I173-Q212 PolarHBondContact O-N 3.04Å; I210-Q212 HydrophobicContact CG2-CG 3.78Å; Q212-Y214 HydrophobicContact CB-CD2 4.08Å; Q212-Y214 HydrophobicContact CB-CE2 3.62Å
213	W	94.3	Very high	80.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.6	169	-58.6	-103	0	0	0	108.9	L107 W126 I144 L145 M147 I157 F159 F171 F172 L233 I235 I238	L107-W213 HydrophobicContact CD2-CZ3 4.24Å; W126-W213 HydrophobicContact CH2-CB 4.23Å; W126-W213 HydrophobicContact CZ2-CB 3.98Å; I144-W213 CarbonylContact C-O 3.57Å; I144-W213 VanDerWaalsContact CA-O 3.32Å; I144-W213 WeakPolarHBondContact CA-O 3.49Å; L145-W213 HydrophobicContact CB-CB 4.17Å; L145-W213 HydrophobicContact CB-CE3 3.96Å; L145-W213 HydrophobicContact CD2-CD2 4.19Å; L145-W213 HydrophobicContact CD2-CE3 3.71Å; L145-W213 HydrophobicContact CD2-CZ3 4.16Å; L145-W213 HydrophobicContact CG-CE3 3.86Å; L145-W213 HydrophobicContact CG-CZ3 4.31Å; L145-W213 PolarHBondContact N-O 3.41Å; L145-W213 PolarHBondContact O-N 3.12Å; M147-W213 HydrophobicContact CB-CH2 4.39Å; M147-W213 HydrophobicContact CB-CZ3 3.96Å; M147-W213 HydrophobicContact CE-CH2 3.91Å; M147-W213 HydrophobicContact SD-CH2 4.38Å; I157-W213 HydrophobicContact CD1-CH2 3.95Å; I157-W213 HydrophobicContact CD1-CZ2 3.87Å; F159-W213 HydrophobicContact CD1-CZ2 4.14Å; F159-W213 AromaticContact CD1-NE1 3.83Å; F159-W213 AromaticContact CD2-NE1 3.7Å; F159-W213 HydrophobicContact CE1-CZ2 4.41Å; F159-W213 AromaticContact CE1-NE1 3.57Å; F159-W213 AromaticContact CE2-CD1 3.98Å; F159-W213 AromaticContact CE2-NE1 3.44Å; F159-W213 HydrophobicContact CG-CZ2 4.47Å; F159-W213 AromaticContact CG-NE1 3.88Å; F159-W213 AromaticContact CZ-CD1 3.98Å; F159-W213 AromaticContact CZ-NE1 3.37Å; F171-W213 CarbonylContact O-C 3.6Å; F171-W213 WeakPolarHBondContact O-CA 3.5Å; F172-W213 AromaticContact CD2-CD1 3.77Å; F172-W213 AromaticContact CD2-CD2 3.91Å; F172-W213 HydrophobicContact CD2-CD2 3.91Å; F172-W213 AromaticContact CD2-CE2 3.62Å; F172-W213 HydrophobicContact CD2-CG 4.02Å; F172-W213 HydrophobicContact CD2-CZ2 4.15Å; F172-W213 AromaticContact CD2-NE1 3.51Å; F172-W213 HydrophobicContact CE2-CD2 4.03Å; F172-W213 AromaticContact CE2-CE2 3.58Å; F172-W213 HydrophobicContact CE2-CE3 4.45Å; F172-W213 HydrophobicContact CE2-CH2 4.1Å; F172-W213 AromaticContact CE2-CZ2 3.63Å; F172-W213 HydrophobicContact CE2-CZ2 3.63Å; F172-W213 HydrophobicContact CE2-CZ3 4.48Å; F172-W213 AromaticContact CE2-NE1 3.92Å; W213-L233 HydrophobicContact CB-CD2 4.49Å; W213-I235 HydrophobicContact CD2-CD1 4.17Å; W213-I235 HydrophobicContact CG-CD1 3.97Å; W213-I238 HydrophobicContact CH2-CD1 3.8Å; W213-I238 HydrophobicContact CH2-CG2 4.46Å; W213-I238 HydrophobicContact CZ2-CD1 3.85Å; W213-I238 HydrophobicContact CZ2-CG1 4.37Å; W213-I238 HydrophobicContact CZ2-CG2 4.47Å
214	Y	90.5	Very high	79.2	Confident	18 Å²	18	38.4 Å²	38.4	7%	0.071	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.9	174	-76.2	-100.2	0	0	0	109	T142 I144 A170 F171 I173 R175 Q212 P672	T142-Y214 HydrophobicContact CG2-CD1 3.94Å; I144-Y214 HydrophobicContact CB-CE1 4.44Å; I144-Y214 HydrophobicContact CD1-CD1 4.07Å; I144-Y214 HydrophobicContact CD1-CE1 3.37Å; I144-Y214 HydrophobicContact CG1-CD1 3.72Å; I144-Y214 HydrophobicContact CG1-CE1 3.53Å; I144-Y214 HydrophobicContact CG1-CG 4.49Å; I144-Y214 HydrophobicContact CG2-CD1 4.44Å; I144-Y214 HydrophobicContact CG2-CD2 4.37Å; I144-Y214 HydrophobicContact CG2-CE1 4.09Å; I144-Y214 HydrophobicContact CG2-CE2 4.02Å; A170-Y214 CarbonylContact C-O 3.58Å; A170-Y214 WeakPolarHBondContact CA-O 3.27Å; F171-Y214 PolarHBondContact N-O 2.96Å; F171-Y214 PolarHBondContact O-N 2.87Å; I173-Y214 HydrophobicContact CB-CE2 4.46Å; I173-Y214 HydrophobicContact CD1-CD2 3.78Å; I173-Y214 HydrophobicContact CD1-CE2 3.78Å; I173-Y214 HydrophobicContact CG1-CD2 4.18Å; I173-Y214 HydrophobicContact CG1-CE2 4.36Å; R175-Y214 PolarHBondContact NH1-OH 2.94Å; Q212-Y214 HydrophobicContact CB-CD2 4.08Å; Q212-Y214 HydrophobicContact CB-CE2 3.62Å; Y214-P672 HydrophobicContact CD1-CB 4.2Å; Y214-P672 HydrophobicContact CD1-CG 4.23Å; Y214-P672 HydrophobicContact CE1-CB 4.28Å
215	L	90	Very high	77.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.4	166.6	174.9	70.7	0	0	0	108.1	G135 T137 V143 L169 A170 L233	G135-L215 VanDerWaalsContact O-CD2 3.25Å; G135-L215 WeakPolarHBondContact O-CD2 3.33Å; T137-L215 HydrophobicContact CG2-CD2 3.97Å; T137-L215 HydrophobicContact CG2-CG 3.71Å; V143-L215 HydrophobicContact CG2-CB 3.7Å; V143-L215 HydrophobicContact CG2-CD2 4.07Å; V143-L215 HydrophobicContact CG2-CG 4.26Å; V143-L215 PolarHBondContact N-O 3.28Å; V143-L215 PolarHBondContact O-N 2.97Å; L169-L215 WeakPolarHBondContact O-CA 3.27Å; A170-L215 HydrophobicContact CB-CD1 4.22Å; L215-L233 HydrophobicContact CD1-CB 4.26Å; L215-L233 HydrophobicContact CD2-CB 3.99Å
216	L	84.3	Confident	75.7	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.115	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.4	179.8	64.2	90.1	0	0	0	110.9	T142 G168 L169 F171 P672	T142-L216 HydrophobicContact CG2-CB 4.04Å; T142-L216 WeakPolarHBondContact OG1-CB 3.15Å; G168-L216 CarbonylContact C-O 3.59Å; G168-L216 WeakPolarHBondContact CA-O 3.31Å; L169-L216 HydrophobicContact CB-CD1 3.88Å; L169-L216 HydrophobicContact CB-CG 4.16Å; L169-L216 HydrophobicContact CD1-CD1 4.11Å; L169-L216 HydrophobicContact CG-CD1 4.47Å; L169-L216 PolarHBondContact N-O 3.44Å; L169-L216 PolarHBondContact O-N 3.32Å; F171-L216 HydrophobicContact CD2-CD2 4.39Å; F171-L216 HydrophobicContact CE2-CD2 4.02Å; F171-L216 HydrophobicContact CE2-CG 4.47Å; L216-P672 HydrophobicContact CD2-CG 3.35Å
217	V	78.1	Confident	74.1	Confident	12 Å²	12	43.4 Å²	43.4	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.5	172.9	-178.8	0	0	0	0	108	T137 N219 Q223 P231	T137-V217 HydrophobicContact CG2-CG2 3.9Å; V217-N219 VanDerWaalsContact C-N 3.35Å; V217-Q223 HydrophobicContact CG1-CB 4.15Å; V217-P231 HydrophobicContact CG2-CG 4.3Å
218	E	69.3	Low	72.7	Confident	34 Å²	34	44.3 Å²	44.3	16%	0.159	22%	0.219	C	C	.	.	S	Bend	trans	-63.7	-42.2	179.6	-172.5	159.2	-136.4	0	0	111.4	G167 L169 H679	G167-E218 PolarHBondContact O-N 3.39Å; G167-E218 VanDerWaalsContact O-N 3.1Å; L169-E218 HydrophobicContact CD1-CB 4.13Å; L169-E218 HydrophobicContact CD1-CG 3.84Å; L169-E218 HydrophobicContact CG-CB 4.1Å; L169-E218 HydrophobicContact CG-CG 4.15Å; E218-H679 IonicContact OE1-CE1 3.9Å; E218-H679 PolarHBondContact OE1-CE1 3.09Å; E218-H679 IonicContact OE1-NE2 3.67Å; E218-H679 PolarHBondContact OE1-NE2 2.95Å
219	N	62.8	Low	71.6	Confident	31 Å²	31	43.9 Å²	43.9	17%	0.166	22%	0.216	C	C	.	.			trans	-137.6	102.4	177.7	-166.2	-37.4	0	0	0	112.7	V217 Y221 I222 Q223 D827	V217-N219 VanDerWaalsContact C-N 3.35Å; N219-Y221 VanDerWaalsContact C-N 3.25Å; N219-Y221 PolarHBondContact O-N 3.31Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.29Å; N219-Y221 PolarHBondContact OD1-N 2.75Å; N219-I222 HydrophobicContact CB-CB 4.22Å; N219-I222 HydrophobicContact CB-CD1 3.91Å; N219-I222 HydrophobicContact CB-CG1 4.1Å; N219-I222 VanDerWaalsContact ND2-CD1 3.28Å; N219-I222 WeakPolarHBondContact ND2-CD1 3.44Å; N219-I222 PolarHBondContact O-N 3.27Å; N219-I222 PolarHBondContact OD1-N 2.71Å; N219-I222 VanDerWaalsContact OD1-N 3.14Å; N219-Q223 PolarHBondContact O-N 2.75Å; N219-D827 WeakPolarHBondContact CB-OD2 3.46Å; N219-D827 PolarHBondContact ND2-OD2 2.95Å
220	V	62.8	Low	70.9	Confident	49 Å²	49	46.5 Å²	46.5	30%	0.297	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-33.4	178.4	-178.7	0	0	0	0	112.3	D139 R224	D139-V220 HydrophobicContact CB-CG1 4.16Å; V220-R224 WeakPolarHBondContact O-CB 3.49Å; V220-R224 PolarHBondContact O-N 2.93Å
221	Y	56.5	Low	70.3	Confident	147 Å²	147	45.3 Å²	45.3	58%	0.576	22%	0.224	S	C	*	.	H	α-helix	trans	-71.6	-42.6	-175.8	-166	-103.8	0	0	0	111.3	N219 L225	N219-Y221 VanDerWaalsContact C-N 3.25Å; N219-Y221 PolarHBondContact O-N 3.31Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.29Å; N219-Y221 PolarHBondContact OD1-N 2.75Å; Y221-L225 HydrophobicContact CD1-CD1 3.5Å; Y221-L225 HydrophobicContact CE1-CD1 3.12Å; Y221-L225 HydrophobicContact CE1-CG 4.4Å; Y221-L225 HydrophobicContact CE2-CD1 4.23Å; Y221-L225 HydrophobicContact CG-CD1 4.2Å; Y221-L225 PolarHBondContact O-N 3.49Å
222	I	53.6	Low	70	Confident	12 Å²	12	47 Å²	47	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-44.5	177.1	-61.2	175.4	0	0	0	110.5	N219 R224 Y226 L228 D827 T829	N219-I222 HydrophobicContact CB-CB 4.22Å; N219-I222 HydrophobicContact CB-CD1 3.91Å; N219-I222 HydrophobicContact CB-CG1 4.1Å; N219-I222 VanDerWaalsContact ND2-CD1 3.28Å; N219-I222 WeakPolarHBondContact ND2-CD1 3.44Å; N219-I222 PolarHBondContact O-N 3.27Å; N219-I222 PolarHBondContact OD1-N 2.71Å; N219-I222 VanDerWaalsContact OD1-N 3.14Å; I222-R224 PolarHBondContact O-N 2.94Å; I222-Y226 WeakPolarHBondContact O-CD2 3.33Å; I222-Y226 PolarHBondContact O-N 3.14Å; I222-L228 HydrophobicContact CG2-CD1 3.71Å; I222-D827 HydrophobicContact CD1-CB 4.25Å; I222-T829 HydrophobicContact CD1-CG2 4.41Å; I222-T829 WeakPolarHBondContact CD1-O 3.32Å
223	Q	58.6	Low	69.9	Low	8 Å²	8	46.1 Å²	46.1	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-46.4	179.3	-167.7	177.8	13.3	0	0	111.8	D139 V217 N219 G227 L228 D230	D139-Q223 VanDerWaalsContact OD1-CG 3.23Å; D139-Q223 WeakPolarHBondContact OD1-CG 3.32Å; D139-Q223 PolarHBondContact OD1-OE1 3.18Å; V217-Q223 HydrophobicContact CG1-CB 4.15Å; N219-Q223 PolarHBondContact O-N 2.75Å; Q223-G227 PolarHBondContact O-N 3.3Å; Q223-L228 HydrophobicContact CG-CB 4.33Å; Q223-D230 PolarHBondContact NE2-OD1 3.45Å
224	R	56.5	Low	69.7	Low	165 Å²	165	46.8 Å²	46.8	62%	0.623	23%	0.231	S	C	*	.	H	α-helix	trans	-69.1	-38.6	-176.3	-165.6	177.4	-145.1	160.3	9.3	114.3	D139 V220 I222	D139-R224 WeakPolarHBondContact OD2-CB 3.32Å; D139-R224 WeakPolarHBondContact OD2-CG 3.42Å; V220-R224 WeakPolarHBondContact O-CB 3.49Å; V220-R224 PolarHBondContact O-N 2.93Å; I222-R224 PolarHBondContact O-N 2.94Å
225	L	51.3	Low	69.8	Low	91 Å²	91	45.9 Å²	45.9	48%	0.476	23%	0.227	S	C	.	.	H	α-helix	trans	-72.6	-29.6	-177.4	-84.7	164.5	0	0	0	113	Y221	Y221-L225 HydrophobicContact CD1-CD1 3.5Å; Y221-L225 HydrophobicContact CE1-CD1 3.12Å; Y221-L225 HydrophobicContact CE1-CG 4.4Å; Y221-L225 HydrophobicContact CE2-CD1 4.23Å; Y221-L225 HydrophobicContact CG-CD1 4.2Å; Y221-L225 PolarHBondContact O-N 3.49Å
226	Y	54.3	Low	69.7	Low	83 Å²	83	50.2 Å²	50.2	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-122.9	-0.3	-167.7	-60.5	-85.4	0	0	0	114.5	I222 L228 K758 C830 D831	I222-Y226 WeakPolarHBondContact O-CD2 3.33Å; I222-Y226 PolarHBondContact O-N 3.14Å; Y226-L228 VanDerWaalsContact C-N 3.32Å; Y226-L228 PolarHBondContact O-N 2.84Å; Y226-K758 PolarHBondContact OH-NZ 3.43Å; Y226-C830 VanDerWaalsContact CD2-O 3.26Å; Y226-C830 WeakPolarHBondContact CD2-O 2.95Å; Y226-C830 VanDerWaalsContact CE2-C 3.49Å; Y226-C830 WeakPolarHBondContact CE2-O 3.31Å; Y226-D831 HydrophobicContact CD1-CB 3.57Å; Y226-D831 HydrophobicContact CD2-CB 4.19Å; Y226-D831 HydrophobicContact CE1-CB 3.3Å; Y226-D831 VanDerWaalsContact CE2-CA 3.5Å; Y226-D831 HydrophobicContact CE2-CB 4.01Å; Y226-D831 HydrophobicContact CG-CB 3.99Å
227	G	52.6	Low	70	Confident	68 Å²	68	51.9 Å²	51.9	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	36.3	175.4	0	0	0	0	0	113	Q223	Q223-G227 PolarHBondContact O-N 3.3Å
228	L	57.6	Low	70.8	Confident	34 Å²	34	51.5 Å²	51.5	18%	0.178	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-56.1	143.1	172.4	-61.7	178.8	0	0	0	109.5	I222 Q223 Y226 D230 N782	I222-L228 HydrophobicContact CG2-CD1 3.71Å; Q223-L228 HydrophobicContact CG-CB 4.33Å; Y226-L228 VanDerWaalsContact C-N 3.32Å; Y226-L228 PolarHBondContact O-N 2.84Å; L228-D230 PolarHBondContact O-N 2.85Å; L228-N782 HydrophobicContact CD2-CB 3.91Å
229	K	64.4	Low	71.9	Confident	94 Å²	94	54 Å²	54	41%	0.409	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-59.8	137.6	176	-178	171	154.4	-153.2	0	110.5	E165	E165-K229 VanDerWaalsContact OE1-CD 3.24Å; E165-K229 WeakPolarHBondContact OE1-CD 3.41Å; E165-K229 VanDerWaalsContact OE1-CE 3.3Å; E165-K229 WeakPolarHBondContact OE1-CE 3.25Å; E165-K229 IonicContact OE1-NZ 2.75Å; E165-K229 PolarHBondContact OE1-NZ 3.49Å; E165-K229 WeakPolarHBondContact OE2-CB 3.48Å; E165-K229 VanDerWaalsContact OE2-CD 3.26Å; E165-K229 WeakPolarHBondContact OE2-CD 3.13Å; E165-K229 WeakPolarHBondContact OE2-CE 3.5Å; E165-K229 VanDerWaalsContact OE2-CG 3.25Å; E165-K229 WeakPolarHBondContact OE2-CG 3.48Å; E165-K229 IonicContact OE2-NZ 3.68Å
230	D	73.8	Confident	73.4	Confident	59 Å²	59	52.5 Å²	52.5	32%	0.316	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-59.9	128.7	179.1	-69.9	-38.8	0	0	0	110.6	T137 Q223 L228 E232	T137-D230 WeakPolarHBondContact O-CB 3.26Å; Q223-D230 PolarHBondContact NE2-OD1 3.45Å; L228-D230 PolarHBondContact O-N 2.85Å; D230-E232 PolarHBondContact O-N 3.49Å
231	P	79.3	Confident	74.8	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.026	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67	139.1	179.7	24.5	-29.5	0	0	0	110.8	T137 V217	T137-P231 HydrophobicContact CG2-CG 3.68Å; T137-P231 PolarHBondContact N-O 3.15Å; V217-P231 HydrophobicContact CG2-CG 4.3Å
232	E	86.2	Confident	76.3	Confident	36 Å²	36	44.9 Å²	44.9	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.7	179.1	-55.5	-170.1	168.3	0	0	110.9	V134 G135 K136 D230 H234	V134-E232 HydrophobicContact CG1-CB 4.34Å; G135-E232 CarbonylContact O-C 3.59Å; G135-E232 VanDerWaalsContact O-CA 3.28Å; G135-E232 WeakPolarHBondContact O-CA 3.47Å; K136-E232 HydrophobicContact CD-CG 4.4Å; K136-E232 WeakPolarHBondContact CD-OE1 3.39Å; K136-E232 WeakPolarHBondContact CE-OE1 3.41Å; K136-E232 HydrophobicContact CG-CG 4.11Å; K136-E232 IonicContact NZ-OE1 3.2Å; K136-E232 PolarHBondContact NZ-OE1 2.91Å; D230-E232 PolarHBondContact O-N 3.49Å; E232-H234 IonicContact OE2-CD2 3.97Å; E232-H234 IonicContact OE2-CE1 2.87Å; E232-H234 IonicContact OE2-NE2 3.85Å; E232-H234 PolarHBondContact OE2-NE2 3.01Å
233	L	90.1	Very high	77.9	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117	170	172.9	58.5	0	0	0	108.3	W126 G135 Y161 I163 A170 L189 W213 L215 I235	W126-L233 HydrophobicContact CH2-CB 4.24Å; W126-L233 HydrophobicContact CH2-CD2 3.58Å; W126-L233 HydrophobicContact CH2-CG 3.86Å; W126-L233 HydrophobicContact CZ2-CD2 4.14Å; W126-L233 HydrophobicContact CZ3-CG 4.48Å; G135-L233 PolarHBondContact N-O 3.42Å; G135-L233 PolarHBondContact O-N 2.77Å; Y161-L233 HydrophobicContact CD2-CD1 3.87Å; Y161-L233 HydrophobicContact CG-CD1 4.3Å; I163-L233 HydrophobicContact CD1-CD1 4.09Å; I163-L233 HydrophobicContact CG1-CD1 3.69Å; A170-L233 HydrophobicContact CB-CD2 4.17Å; L189-L233 HydrophobicContact CD1-CD1 4.25Å; L189-L233 HydrophobicContact CD1-CD2 4.16Å; W213-L233 HydrophobicContact CB-CD2 4.49Å; L215-L233 HydrophobicContact CD1-CB 4.26Å; L215-L233 HydrophobicContact CD2-CB 3.99Å; L233-I235 HydrophobicContact CG-CG1 4.4Å
234	H	90.3	Very high	79.2	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124	178.4	-61.7	-170.8	0	0	0	108.3	H132 L133 Y161 Q162 E232	H132-H234 AromaticContact CD2-ND1 3.99Å; L133-H234 CarbonylContact O-C 3.51Å; L133-H234 WeakPolarHBondContact O-CA 3.31Å; Y161-H234 CarbonylContact C-O 3.55Å; Y161-H234 WeakPolarHBondContact CA-O 3.37Å; Y161-H234 WeakPolarHBondContact CB-O 3.31Å; Q162-H234 HydrophobicContact CB-CB 4.23Å; Q162-H234 PolarHBondContact N-O 3Å; Q162-H234 PolarHBondContact O-N 3.1Å; E232-H234 IonicContact OE2-CD2 3.97Å; E232-H234 IonicContact OE2-CE1 2.87Å; E232-H234 IonicContact OE2-NE2 3.85Å; E232-H234 PolarHBondContact OE2-NE2 3.01Å
235	I	93	Very high	80.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.4	173.1	-59.1	176.2	0	0	0	107.7	W100 W126 H132 L133 L145 T160 W213 L233 I238	W100-I235 HydrophobicContact CZ2-CG2 4.01Å; W100-I235 PolarHBondContact NE1-O 2.92Å; W126-I235 HydrophobicContact CH2-CD1 3.6Å; W126-I235 HydrophobicContact CH2-CG1 4.15Å; W126-I235 HydrophobicContact CZ3-CD1 3.63Å; W126-I235 HydrophobicContact CZ3-CG1 3.98Å; H132-I235 CarbonylContact C-O 3.54Å; H132-I235 WeakPolarHBondContact CA-O 3.46Å; L133-I235 HydrophobicContact CB-CB 4.32Å; L133-I235 PolarHBondContact N-O 2.82Å; L133-I235 PolarHBondContact O-N 2.84Å; L145-I235 HydrophobicContact CD2-CD1 3.95Å; T160-I235 CarbonylContact O-C 3.51Å; W213-I235 HydrophobicContact CD2-CD1 4.17Å; W213-I235 HydrophobicContact CG-CD1 3.97Å; L233-I235 HydrophobicContact CG-CG1 4.4Å; I235-I238 HydrophobicContact CG2-CD1 4.03Å; I235-I238 HydrophobicContact CG2-CG1 3.62Å
236	K	87.7	Confident	82.1	Confident	91 Å²	91	38.7 Å²	38.7	40%	0.396	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-48	179.5	-177.5	-178.2	177.4	-174.2	0	111.2	W100 T160 Y197	W100-K236 PolarHBondContact NE1-O 2.94Å; T160-K236 HydrophobicContact CG2-CB 4.15Å; T160-K236 HydrophobicContact CG2-CD 4.16Å; T160-K236 PolarHBondContact O-N 2.77Å; Y197-K236 HydrophobicContact CD1-CB 3.97Å; Y197-K236 HydrophobicContact CD1-CD 4.25Å; Y197-K236 HydrophobicContact CE1-CB 3.85Å; Y197-K236 HydrophobicContact CE1-CD 4.4Å
237	E	91.1	Very high	83.6	Confident	58 Å²	58	37.9 Å²	37.9	27%	0.271	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.7	-178.7	76.8	-152.2	158.1	0	0	112.1	V97 T98 F159 T160	V97-E237 CarbonylContact O-C 3.58Å; V97-E237 WeakPolarHBondContact O-CA 3.48Å; V97-E237 WeakPolarHBondContact O-CB 3.5Å; T98-E237 HydrophobicContact CG2-CB 3.95Å; F159-E237 CarbonylContact C-O 3.57Å; F159-E237 WeakPolarHBondContact CA-O 3.25Å; F159-E237 WeakPolarHBondContact CB-O 3.37Å; T160-E237 WeakPolarHBondContact CB-OE1 3.4Å; T160-E237 PolarHBondContact N-O 2.76Å; T160-E237 PolarHBondContact OG1-OE1 3.06Å
238	I	94.5	Very high	85.2	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.8	173.9	-57.6	176.6	0	0	0	108	E96 V97 W100 M147 I157 T158 F159 W213 I235	E96-I238 CarbonylContact C-O 3.59Å; E96-I238 VanDerWaalsContact CA-O 3.31Å; E96-I238 WeakPolarHBondContact CA-O 3.32Å; V97-I238 PolarHBondContact N-O 2.97Å; V97-I238 PolarHBondContact O-N 2.95Å; W100-I238 HydrophobicContact CH2-CD1 3.72Å; W100-I238 HydrophobicContact CH2-CG1 4.28Å; W100-I238 HydrophobicContact CZ2-CD1 4.04Å; W100-I238 HydrophobicContact CZ2-CG1 4.11Å; M147-I238 HydrophobicContact CE-CG2 4.24Å; I157-I238 HydrophobicContact CD1-CG2 4.01Å; I157-I238 HydrophobicContact CG1-CG2 4.34Å; T158-I238 CarbonylContact O-C 3.5Å; F159-I238 HydrophobicContact CB-CB 4.48Å; F159-I238 HydrophobicContact CB-CG1 4.07Å; W213-I238 HydrophobicContact CH2-CD1 3.8Å; W213-I238 HydrophobicContact CH2-CG2 4.46Å; W213-I238 HydrophobicContact CZ2-CD1 3.85Å; W213-I238 HydrophobicContact CZ2-CG1 4.37Å; W213-I238 HydrophobicContact CZ2-CG2 4.47Å; I235-I238 HydrophobicContact CG2-CD1 4.03Å; I235-I238 HydrophobicContact CG2-CG1 3.62Å
239	R	92.9	Very high	86.7	Confident	86 Å²	86	37.3 Å²	37.3	33%	0.325	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.1	177.3	179.7	178.8	-90.8	-142.9	-14.3	109.2	M94 L95 E96 I157 T158	M94-R239 HydrophobicContact CG-CG 3.95Å; M94-R239 VanDerWaalsContact SD-CD 3.58Å; M94-R239 HydrophobicContact SD-CG 3.51Å; M94-R239 VanDerWaalsContact SD-CG 3.51Å; M94-R239 VanDerWaalsContact SD-CZ 3.54Å; M94-R239 PolarHBondContact SD-NE 3.37Å; M94-R239 VanDerWaalsContact SD-NE 3.41Å; L95-R239 CarbonylContact O-C 3.5Å; L95-R239 VanDerWaalsContact O-CA 3.32Å; L95-R239 WeakPolarHBondContact O-CA 3.43Å; E96-R239 IonicContact OE1-CZ 3.6Å; E96-R239 VanDerWaalsContact OE1-CZ 3.28Å; E96-R239 IonicContact OE1-NE 3.37Å; E96-R239 PolarHBondContact OE1-NE 3.14Å; E96-R239 IonicContact OE1-NH2 3.79Å; E96-R239 PolarHBondContact OE1-NH2 2.72Å; E96-R239 IonicContact OE2-CZ 3.27Å; E96-R239 IonicContact OE2-NE 3.05Å; E96-R239 IonicContact OE2-NH2 3.69Å; E96-R239 PolarHBondContact OE2-NH2 2.84Å; I157-R239 CarbonylContact C-O 3.54Å; I157-R239 WeakPolarHBondContact CA-O 3.25Å; T158-R239 PolarHBondContact N-O 3.24Å; T158-R239 PolarHBondContact O-N 3.44Å
240	L	93.8	Very high	88	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.6	179	172.1	69.9	0	0	0	109.7	M94 L95 M147 V149 T156 I157 V204 L211 T243	M94-L240 CarbonylContact C-O 3.53Å; M94-L240 VanDerWaalsContact CA-O 3.23Å; M94-L240 WeakPolarHBondContact CA-O 3.49Å; M94-L240 VanDerWaalsContact CG-O 3.32Å; M94-L240 WeakPolarHBondContact CG-O 3.39Å; L95-L240 HydrophobicContact CB-CB 4.34Å; L95-L240 PolarHBondContact N-O 2.85Å; L95-L240 PolarHBondContact O-N 2.8Å; M147-L240 HydrophobicContact CE-CD2 4.28Å; V149-L240 HydrophobicContact CB-CD2 3.83Å; V149-L240 HydrophobicContact CG1-CD2 3.55Å; V149-L240 HydrophobicContact CG2-CD2 4.18Å; T156-L240 WeakPolarHBondContact O-CA 3.47Å; I157-L240 HydrophobicContact CB-CD1 3.99Å; V204-L240 HydrophobicContact CB-CD1 4.37Å; V204-L240 HydrophobicContact CG2-CD1 3.89Å; L211-L240 HydrophobicContact CD1-CD1 4.29Å; L240-T243 HydrophobicContact CD2-CG2 3.61Å; L240-T243 HydrophobicContact CG-CG2 3.81Å
241	T	92.1	Very high	88.8	Confident	35 Å²	35	35.7 Å²	35.7	22%	0.215	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	158.6	176.6	65.9	0	0	0	0	112	M94 N151 G155 T156	M94-T241 HydrophobicContact CE-CG2 3.98Å; M94-T241 HydrophobicContact CG-CG2 4.17Å; N151-T241 PolarHBondContact ND2-O 3.14Å; G155-T241 WeakPolarHBondContact CA-O 3.45Å; T156-T241 PolarHBondContact N-OG1 2.03Å; T156-T241 PolarHBondContact O-N 2.65Å; T156-T241 PolarHBondContact O-OG1 3.1Å; T156-T241 PolarHBondContact OG1-OG1 3.45Å
242	G	88.4	Confident	89.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	85.7	11.7	179	0	0	0	0	0	114.2	D93 N151 L152	D93-G242 PolarHBondContact O-N 2.84Å; N151-G242 CarbonylContact C-O 3.56Å; N151-G242 VanDerWaalsContact CA-O 3.24Å; N151-G242 WeakPolarHBondContact CA-O 3.23Å; L152-G242 PolarHBondContact N-O 2.97Å
243	T	88.4	Confident	89.5	Confident	16 Å²	16	36.7 Å²	36.7	10%	0.098	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-71.2	166	175.5	60.3	0	0	0	0	110.9	D93 M94 L95 L240	D93-T243 WeakPolarHBondContact CB-O 3.09Å; D93-T243 PolarHBondContact O-N 3.28Å; D93-T243 PolarHBondContact O-OG1 3.22Å; D93-T243 VanDerWaalsContact O-OG1 3.13Å; M94-T243 PolarHBondContact N-OG1 2.75Å; L95-T243 HydrophobicContact CB-CG2 4.13Å; L240-T243 HydrophobicContact CD2-CG2 3.61Å; L240-T243 HydrophobicContact CG-CG2 3.81Å
244	P	84.6	Confident	89.5	Confident	65 Å²	65	39 Å²	39	42%	0.422	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-58	144.2	170.6	-22	35.6	0	0	0	110.4	Y150 L152	Y150-P244 HydrophobicContact CD1-CG 4.28Å; Y150-P244 WeakPolarHBondContact O-CD 3.42Å; L152-P244 HydrophobicContact CD1-CB 4.24Å
245	P	83.2	Confident	89.5	Confident	17 Å²	17	38.4 Å²	38.4	11%	0.11	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-68.1	144.4	179.3	29.2	-35.3	0	0	0	111	I66 C68 L74 G92	I66-P245 WeakPolarHBondContact O-CD 3.05Å; I66-P245 WeakPolarHBondContact O-CG 3.5Å; C68-P245 HydrophobicContact CB-CB 3.9Å; L74-P245 HydrophobicContact CB-CB 4.05Å; L74-P245 HydrophobicContact CB-CG 3.83Å; L74-P245 HydrophobicContact CD2-CG 3.7Å; L74-P245 HydrophobicContact CG-CG 4.4Å; G92-P245 WeakPolarHBondContact O-CA 3.47Å
246	V	85.6	Confident	89.4	Confident	48 Å²	48	38.9 Å²	38.9	29%	0.291	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-64	143.8	167.1	-60.6	0	0	0	0	110.5	H73 L74 S90 G92	H73-V246 WeakPolarHBondContact CA-O 3.09Å; H73-V246 HydrophobicContact CB-CG2 4.21Å; H73-V246 WeakPolarHBondContact CB-O 3.41Å; L74-V246 PolarHBondContact N-O 3.23Å; S90-V246 WeakPolarHBondContact OG-CG2 3.48Å; G92-V246 PolarHBondContact O-N 3.45Å
247	T	85.3	Confident	89.7	Confident	67 Å²	67	36 Å²	36	41%	0.411	23%	0.225	S	C	.	.	S	Bend	trans	-93.4	-9.6	-177.7	54.3	0	0	0	0	113.3	H73 L74 L76	H73-T247 PolarHBondContact ND1-O 3.33Å; L74-T247 WeakPolarHBondContact O-CA 3.22Å; L76-T247 HydrophobicContact CD1-CG2 4.09Å; L76-T247 HydrophobicContact CD2-CG2 3.78Å; L76-T247 HydrophobicContact CG-CG2 3.95Å
248	A	86.3	Confident	89.7	Confident	60 Å²	60	33.2 Å²	33.2	50%	0.496	21%	0.212	S	C	.	.	S	Bend	trans	-147.7	149.8	178.9	0	0	0	0	0	110.7
249	C	90.8	Very high	89.5	Confident	29 Å²	29	35.8 Å²	35.8	20%	0.196	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-76.3	143.4	172.1	-51.6	0	0	0	0	110.7	H73 C84 T88 Y89	H73-C249 PolarHBondContact CD2-SG 2.64Å; C84-C249 WeakPolarHBondContact CA-SG 2.96Å; C84-C249 HydrophobicContact CB-CB 3.84Å; C84-C249 WeakPolarHBondContact CB-SG 3.21Å; C84-C249 WeakPolarHBondContact SG-CB 3.36Å; C84-C249 CovalentContact SG-SG 2.03Å; C84-C249 PolarHBondContact SG-SG 2.91Å; T88-C249 WeakPolarHBondContact OG1-CB 3.21Å; Y89-C249 WeakPolarHBondContact O-CA 3.34Å
250	T	89.9	Confident	89.4	Confident	68 Å²	68	38.4 Å²	38.4	42%	0.417	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.2	176.7	-54.4	0	0	0	0	109.7	T88 Y89	T88-T250 CarbonylContact C-O 3.57Å; T88-T250 VanDerWaalsContact CA-O 3.25Å; T88-T250 WeakPolarHBondContact CA-O 3.42Å; T88-T250 WeakPolarHBondContact CB-O 3.4Å; Y89-T250 VanDerWaalsContact CD1-O 3.23Å; Y89-T250 WeakPolarHBondContact CD1-O 3.13Å; Y89-T250 HydrophobicContact CE1-CG2 3.75Å; Y89-T250 PolarHBondContact N-O 3.39Å; Y89-T250 PolarHBondContact O-N 3.05Å
251	P	92.1	Very high	89.2	Confident	52 Å²	52	45.2 Å²	45.2	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.6	173.5	28.2	-34.4	0	0	0	111.1	A253 E277	P251-A253 PolarHBondContact O-N 2.75Å; P251-E277 HydrophobicContact CB-CG 4.18Å; P251-E277 HydrophobicContact CG-CG 4.37Å; P251-E277 WeakPolarHBondContact CG-OE1 3.07Å
252	C	91.1	Very high	89.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.7	127.5	173.1	-69.1	0	0	0	0	110.4	G87 G258 C266 E277 G278	G87-C252 PolarHBondContact O-N 2.87Å; G87-C252 PolarHBondContact O-SG 3.3Å; C252-G258 PolarHBondContact SG-N 2.95Å; C252-G258 VanDerWaalsContact SG-N 3.4Å; C252-C266 WeakPolarHBondContact CA-SG 3.49Å; C252-C266 HydrophobicContact CB-CB 3.75Å; C252-C266 WeakPolarHBondContact CB-SG 3.35Å; C252-C266 WeakPolarHBondContact SG-CB 3.42Å; C252-C266 CovalentContact SG-SG 2.03Å; C252-C266 PolarHBondContact SG-SG 2.96Å; C252-E277 CarbonylContact O-C 3.3Å; C252-E277 VanDerWaalsContact O-CA 3.27Å; C252-E277 WeakPolarHBondContact O-CA 3.43Å; C252-E277 WeakPolarHBondContact O-CG 3.47Å; C252-G278 PolarHBondContact O-N 3.23Å
253	A	88.5	Confident	89.1	Confident	61 Å²	61	49.1 Å²	49.1	50%	0.504	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-60.3	153.5	178.6	0	0	0	0	0	111.4	P251 G255 S256	P251-A253 PolarHBondContact O-N 2.75Å; A253-G255 PolarHBondContact O-N 2.96Å; A253-S256 PolarHBondContact N-OG 3.36Å; A253-S256 PolarHBondContact O-N 3.45Å; A253-S256 PolarHBondContact O-OG 2.76Å
254	A	89.9	Confident	89.1	Confident	49 Å²	49	51.8 Å²	51.8	41%	0.405	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	136.7	174.7	0	0	0	0	0	111.3	S256 S275	A254-S256 VanDerWaalsContact C-N 3.33Å; A254-S275 CarbonylContact C-O 3.52Å; A254-S275 WeakPolarHBondContact CA-O 3.37Å
255	G	89.6	Confident	89.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-0.6	-169.7	0	0	0	0	0	114.9	A253 C269 S275 G294 S295	A253-G255 PolarHBondContact O-N 2.96Å; G255-C269 WeakPolarHBondContact O-CB 3.01Å; G255-C269 PolarHBondContact O-N 3.04Å; G255-C269 PolarHBondContact O-SG 3.25Å; G255-S275 VanDerWaalsContact C-OG 3.28Å; G255-S275 VanDerWaalsContact CA-OG 3.29Å; G255-S275 WeakPolarHBondContact CA-OG 3.29Å; G255-S275 PolarHBondContact N-O 2.84Å; G255-S275 PolarHBondContact N-OG 3.34Å; G255-G294 WeakPolarHBondContact O-CA 3.08Å; G255-S295 VanDerWaalsContact CA-O 3.26Å; G255-S295 WeakPolarHBondContact CA-O 3.25Å
256	S	91.4	Very high	89.6	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	163.2	169.3	69.8	0	0	0	0	111.7	A253 A254 E267 S275	A253-S256 PolarHBondContact N-OG 3.36Å; A253-S256 PolarHBondContact O-N 3.45Å; A253-S256 PolarHBondContact O-OG 2.76Å; A254-S256 VanDerWaalsContact C-N 3.33Å; S256-E267 CarbonylContact C-O 3.51Å; S256-E267 WeakPolarHBondContact CA-O 3.25Å; S256-E267 VanDerWaalsContact CB-O 3.28Å; S256-E267 WeakPolarHBondContact CB-O 3.42Å; S256-S275 PolarHBondContact N-OG 2.85Å; S256-S275 VanDerWaalsContact N-OG 3.09Å; S256-S275 PolarHBondContact O-OG 2.61Å
257	F	93.3	Very high	89.9	Confident	30 Å²	30	55.5 Å²	55.5	13%	0.132	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	152.1	179.5	73.7	-72.8	0	0	0	111.9	P259 E267 A279 K280 C282	F257-P259 HydrophobicContact CD2-CB 4Å; F257-P259 HydrophobicContact CD2-CG 3.99Å; F257-P259 HydrophobicContact CE2-CB 3.76Å; F257-P259 HydrophobicContact CE2-CG 3.61Å; F257-P259 HydrophobicContact CZ-CG 4.47Å; F257-P259 WeakPolarHBondContact O-CD 3.43Å; F257-E267 HydrophobicContact CD1-CB 4.04Å; F257-E267 VanDerWaalsContact CD1-O 3.27Å; F257-E267 WeakPolarHBondContact CD1-O 3.48Å; F257-E267 HydrophobicContact CE1-CB 3.57Å; F257-E267 HydrophobicContact CZ-CB 3.86Å; F257-E267 WeakPolarHBondContact CZ-OE2 3.34Å; F257-E267 PolarHBondContact N-O 2.81Å; F257-E267 PolarHBondContact O-N 2.86Å; F257-A279 WeakPolarHBondContact CA-O 3.35Å; F257-A279 HydrophobicContact CB-CB 4.38Å; F257-A279 WeakPolarHBondContact CB-O 3.4Å; F257-K280 WeakPolarHBondContact CD2-O 3.41Å; F257-C282 WeakPolarHBondContact CD1-SG 3.34Å
258	G	92	Very high	90.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.			trans	-116.3	90.2	177.6	0	0	0	0	0	110.5	S86 G87 C252 K260 A279	S86-G258 CarbonylContact C-O 3.52Å; G87-G258 PolarHBondContact N-O 2.9Å; C252-G258 PolarHBondContact SG-N 2.95Å; C252-G258 VanDerWaalsContact SG-N 3.4Å; G258-K260 PolarHBondContact O-N 2.94Å; G258-A279 PolarHBondContact N-O 2.81Å
259	P	90.8	Very high	90.3	Very high	56 Å²	56	54.3 Å²	54.3	36%	0.364	30%	0.296	S	S	.	.			trans	-73.7	-28.5	-172.1	26.1	-31.6	0	0	0	113.4	F257	F257-P259 HydrophobicContact CD2-CB 4Å; F257-P259 HydrophobicContact CD2-CG 3.99Å; F257-P259 HydrophobicContact CE2-CB 3.76Å; F257-P259 HydrophobicContact CE2-CG 3.61Å; F257-P259 HydrophobicContact CZ-CG 4.47Å; F257-P259 WeakPolarHBondContact O-CD 3.43Å
260	K	89.9	Confident	90.2	Very high	142 Å²	142	56.1 Å²	56.1	62%	0.617	31%	0.308	S	S	*	.	S	Bend	trans	-104.5	149	-173.1	-63.3	170.1	-173.3	163.9	0	110.7	G258	G258-K260 PolarHBondContact O-N 2.94Å
261	E	90.5	Very high	90	Very high	143 Å²	143	59.6 Å²	59.6	67%	0.668	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	153.9	160.1	-64.8	-177.9	175.5	0	0	109.6	V83 A263	V83-E261 HydrophobicContact CG1-CB 4.23Å; E261-A263 VanDerWaalsContact C-N 3.31Å; E261-A263 PolarHBondContact O-N 2.87Å
262	K	89	Confident	89.8	Confident	108 Å²	108	60.2 Å²	60.2	47%	0.47	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	37.6	-174.8	-155.3	-177.2	175.1	178.9	0	113.2	G71 M72 V83 C84	G71-K262 WeakPolarHBondContact O-CA 3.44Å; M72-K262 HydrophobicContact CG-CD 4.45Å; M72-K262 HydrophobicContact CG-CG 4.23Å; V83-K262 HydrophobicContact CG1-CB 3.61Å; V83-K262 HydrophobicContact CG1-CG 4.17Å; C84-K262 PolarHBondContact O-N 2.95Å
263	A	89.2	Confident	89.9	Confident	10 Å²	10	61 Å²	61	8%	0.083	32%	0.318	C	S	.	.			trans	-72.1	131.8	176.1	0	0	0	0	0	111.3	G71 Y89 S90 E261	G71-A263 WeakPolarHBondContact CA-O 3.49Å; Y89-A263 VanDerWaalsContact CA-O 3.23Å; Y89-A263 WeakPolarHBondContact CA-O 3.21Å; Y89-A263 WeakPolarHBondContact CB-O 3.43Å; S90-A263 PolarHBondContact N-O 2.88Å; S90-A263 VanDerWaalsContact N-O 3.07Å; E261-A263 VanDerWaalsContact C-N 3.31Å; E261-A263 PolarHBondContact O-N 2.87Å
264	D	88.4	Confident	90.2	Very high	72 Å²	72	61.5 Å²	61.5	39%	0.385	31%	0.308	S	S	.	.	S	Bend	trans	-88.9	-24.6	172.2	59.1	-15.9	0	0	0	112.6	Y89 S90	Y89-D264 VanDerWaalsContact CD2-O 3.31Å; Y89-D264 WeakPolarHBondContact CD2-O 3.4Å; S90-D264 WeakPolarHBondContact O-CA 3.16Å
265	H	88.9	Confident	90.4	Very high	102 Å²	102	59.2 Å²	59.2	47%	0.472	29%	0.289	S	S	.	.	S	Bend	trans	-144	164.5	173	65.2	49.2	0	0	0	112.1
266	C	89.7	Confident	90.5	Very high	29 Å²	29	62.5 Å²	62.5	20%	0.196	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-93.9	142.5	170.7	-58	0	0	0	0	111.8	Y89 C252	Y89-C266 WeakPolarHBondContact CD1-SG 3.37Å; C252-C266 WeakPolarHBondContact CA-SG 3.49Å; C252-C266 HydrophobicContact CB-CB 3.75Å; C252-C266 WeakPolarHBondContact CB-SG 3.35Å; C252-C266 WeakPolarHBondContact SG-CB 3.42Å; C252-C266 CovalentContact SG-SG 2.03Å; C252-C266 PolarHBondContact SG-SG 2.96Å
267	E	90.6	Very high	90.5	Very high	76 Å²	76	68.5 Å²	68.5	36%	0.355	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.9	175	-66.6	179.2	-152.8	0	0	109.9	S256 F257	S256-E267 CarbonylContact C-O 3.51Å; S256-E267 WeakPolarHBondContact CA-O 3.25Å; S256-E267 VanDerWaalsContact CB-O 3.28Å; S256-E267 WeakPolarHBondContact CB-O 3.42Å; F257-E267 HydrophobicContact CD1-CB 4.04Å; F257-E267 VanDerWaalsContact CD1-O 3.27Å; F257-E267 WeakPolarHBondContact CD1-O 3.48Å; F257-E267 HydrophobicContact CE1-CB 3.57Å; F257-E267 HydrophobicContact CZ-CB 3.86Å; F257-E267 WeakPolarHBondContact CZ-OE2 3.34Å; F257-E267 PolarHBondContact N-O 2.81Å; F257-E267 PolarHBondContact O-N 2.86Å
268	L	89.1	Confident	90.3	Very high	102 Å²	102	68.6 Å²	68.6	53%	0.534	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	144.3	176	-69.6	175.8	0	0	0	110.8
269	C	90.8	Very high	90.4	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-63.5	131	171.9	-74	0	0	0	0	111.2	G255 T273 S275 C282 N293 G294	G255-C269 WeakPolarHBondContact O-CB 3.01Å; G255-C269 PolarHBondContact O-N 3.04Å; G255-C269 PolarHBondContact O-SG 3.25Å; C269-T273 WeakPolarHBondContact CB-OG1 3.43Å; C269-S275 WeakPolarHBondContact SG-CB 3.03Å; C269-S275 PolarHBondContact SG-OG 3.24Å; C269-C282 WeakPolarHBondContact CA-SG 3.15Å; C269-C282 HydrophobicContact CB-CB 3.86Å; C269-C282 WeakPolarHBondContact CB-SG 3.44Å; C269-C282 WeakPolarHBondContact SG-CB 3.43Å; C269-C282 CovalentContact SG-SG 2.04Å; C269-C282 PolarHBondContact SG-SG 3Å; C269-N293 CarbonylContact O-C 3.49Å; C269-N293 WeakPolarHBondContact O-CA 3.06Å; C269-G294 PolarHBondContact O-N 2.87Å
270	P	89.8	Confident	90.5	Very high	68 Å²	68	73 Å²	73	44%	0.442	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-65.2	169	174.7	27.6	-34.1	0	0	0	111.3	T273	P270-T273 WeakPolarHBondContact CD-OG1 3.48Å; P270-T273 HydrophobicContact CG-CG2 4.01Å; P270-T273 WeakPolarHBondContact CG-OG1 3.33Å; P270-T273 PolarHBondContact O-N 2.79Å; P270-T273 PolarHBondContact O-OG1 3.33Å
271	R	85	Confident	90.7	Very high	140 Å²	140	70 Å²	70	53%	0.528	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	151.1	175.9	-61.9	-175.8	-175.1	169.5	-1.9	111.4	T273 N293	R271-T273 PolarHBondContact O-N 2.84Å; R271-T273 VanDerWaalsContact O-N 3.14Å; R271-N293 WeakPolarHBondContact CG-OD1 3.27Å; R271-N293 PolarHBondContact NE-OD1 2.85Å; R271-N293 VanDerWaalsContact NE-OD1 3.12Å
272	D	88.7	Confident	90.9	Very high	66 Å²	66	64.6 Å²	64.6	35%	0.353	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.8	-176.8	-56.1	-54.7	0	0	0	113.2	S284 C285 Y290 S291 R301	D272-S284 CarbonylContact O-C 3.52Å; D272-S284 WeakPolarHBondContact O-CA 3.44Å; D272-C285 PolarHBondContact O-N 2.97Å; D272-Y290 WeakPolarHBondContact OD1-CB 3.34Å; D272-S291 WeakPolarHBondContact CA-OG 3.35Å; D272-S291 PolarHBondContact N-O 3.41Å; D272-S291 PolarHBondContact N-OG 2.75Å; D272-R301 IonicContact OD1-CZ 3.83Å; D272-R301 IonicContact OD1-NH2 2.77Å; D272-R301 PolarHBondContact OD1-NH2 2.82Å; D272-R301 IonicContact OD2-NH2 3.93Å
273	T	93.4	Very high	91.1	Very high	16 Å²	16	64.7 Å²	64.7	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.4	169.8	75.2	0	0	0	0	111.8	C269 P270 R271 C282 Q283 S291	C269-T273 WeakPolarHBondContact CB-OG1 3.43Å; P270-T273 WeakPolarHBondContact CD-OG1 3.48Å; P270-T273 HydrophobicContact CG-CG2 4.01Å; P270-T273 WeakPolarHBondContact CG-OG1 3.33Å; P270-T273 PolarHBondContact O-N 2.79Å; P270-T273 PolarHBondContact O-OG1 3.33Å; R271-T273 PolarHBondContact O-N 2.84Å; R271-T273 VanDerWaalsContact O-N 3.14Å; T273-C282 WeakPolarHBondContact OG1-CB 3.36Å; T273-Q283 CarbonylContact C-O 3.56Å; T273-Q283 WeakPolarHBondContact CA-O 3.36Å; T273-Q283 VanDerWaalsContact CB-O 3.25Å; T273-Q283 WeakPolarHBondContact CB-O 3.29Å; T273-S291 PolarHBondContact N-OG 2.9Å; T273-S291 PolarHBondContact O-OG 2.96Å
274	Y	93.2	Very high	91.3	Very high	71 Å²	71	68.9 Å²	68.9	28%	0.278	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.8	177.9	72.4	-79.6	0	0	0	111.1	Q283 S295 S296 C298	Y274-Q283 HydrophobicContact CD1-CB 4.21Å; Y274-Q283 WeakPolarHBondContact CD1-O 3.04Å; Y274-Q283 HydrophobicContact CE1-CB 3.8Å; Y274-Q283 HydrophobicContact CE2-CB 4.45Å; Y274-Q283 VanDerWaalsContact CZ-OE1 3.22Å; Y274-Q283 PolarHBondContact N-O 2.78Å; Y274-Q283 PolarHBondContact O-N 2.85Å; Y274-Q283 PolarHBondContact OH-OE1 2.88Å; Y274-S295 VanDerWaalsContact CA-O 3.32Å; Y274-S295 WeakPolarHBondContact CA-O 3.19Å; Y274-S295 WeakPolarHBondContact CB-O 3.21Å; Y274-S296 WeakPolarHBondContact CD2-O 3.37Å; Y274-C298 WeakPolarHBondContact CD1-SG 3.35Å
275	S	94.4	Very high	91.5	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.014	36%	0.362	C	S	.	.			trans	-146.1	150.7	172.8	67.4	0	0	0	0	112.3	A254 G255 S256 C269	A254-S275 CarbonylContact C-O 3.52Å; A254-S275 WeakPolarHBondContact CA-O 3.37Å; G255-S275 VanDerWaalsContact C-OG 3.28Å; G255-S275 VanDerWaalsContact CA-OG 3.29Å; G255-S275 WeakPolarHBondContact CA-OG 3.29Å; G255-S275 PolarHBondContact N-O 2.84Å; G255-S275 PolarHBondContact N-OG 3.34Å; S256-S275 PolarHBondContact N-OG 2.85Å; S256-S275 VanDerWaalsContact N-OG 3.09Å; S256-S275 PolarHBondContact O-OG 2.61Å; C269-S275 WeakPolarHBondContact SG-CB 3.03Å; C269-S275 PolarHBondContact SG-OG 3.24Å
276	A	92	Very high	91.6	Very high	69 Å²	69	64.5 Å²	64.5	57%	0.57	36%	0.359	S	S	*	.			trans	-80.3	168.7	165.5	0	0	0	0	0	110.9	A279	A276-A279 VanDerWaalsContact O-CB 3.27Å; A276-A279 WeakPolarHBondContact O-CB 3.49Å; A276-A279 PolarHBondContact O-N 3.41Å
277	E	91	Very high	91.3	Very high	137 Å²	137	67.6 Å²	67.6	64%	0.64	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	138.5	174.1	-169.7	179.5	171	0	0	111.4	P251 C252 A279	P251-E277 HydrophobicContact CB-CG 4.18Å; P251-E277 HydrophobicContact CG-CG 4.37Å; P251-E277 WeakPolarHBondContact CG-OE1 3.07Å; C252-E277 CarbonylContact O-C 3.3Å; C252-E277 VanDerWaalsContact O-CA 3.27Å; C252-E277 WeakPolarHBondContact O-CA 3.43Å; C252-E277 WeakPolarHBondContact O-CG 3.47Å; E277-A279 VanDerWaalsContact C-N 3.32Å; E277-A279 PolarHBondContact O-N 3.46Å
278	G	90.6	Very high	91.1	Very high	32 Å²	32	68.6 Å²	68.6	33%	0.33	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	14	-178.6	0	0	0	0	0	115	C252	C252-G278 PolarHBondContact O-N 3.23Å
279	A	92.9	Very high	91.1	Very high	19 Å²	19	66.6 Å²	66.6	16%	0.157	38%	0.383	C	S	.	.			trans	-68.2	145.4	-178.5	0	0	0	0	0	113.4	F257 G258 A276 E277	F257-A279 WeakPolarHBondContact CA-O 3.35Å; F257-A279 HydrophobicContact CB-CB 4.38Å; F257-A279 WeakPolarHBondContact CB-O 3.4Å; G258-A279 PolarHBondContact N-O 2.81Å; A276-A279 VanDerWaalsContact O-CB 3.27Å; A276-A279 WeakPolarHBondContact O-CB 3.49Å; A276-A279 PolarHBondContact O-N 3.41Å; E277-A279 VanDerWaalsContact C-N 3.32Å; E277-A279 PolarHBondContact O-N 3.46Å
280	K	94	Very high	91	Very high	129 Å²	129	69.9 Å²	69.9	56%	0.561	40%	0.396	S	S	*	.	S	Bend	trans	-95.4	-12.1	174.9	-55.5	-177.6	-177.1	-161	0	113.3	S86 F257	S86-K280 VanDerWaalsContact OG-CD 3.3Å; S86-K280 WeakPolarHBondContact OG-CD 3.5Å; S86-K280 WeakPolarHBondContact OG-CE 3.34Å; S86-K280 PolarHBondContact OG-NZ 2.92Å; F257-K280 WeakPolarHBondContact CD2-O 3.41Å
281	S	93.5	Very high	90.9	Very high	78 Å²	78	67 Å²	67	55%	0.545	38%	0.377	S	S	.	.	S	Bend	trans	-160.9	157.1	179.1	59.7	0	0	0	0	109.9
282	C	93.8	Very high	90.7	Very high	30 Å²	30	62.2 Å²	62.2	20%	0.203	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-86	151.4	174.5	-55	0	0	0	0	112.3	F257 C269 T273	F257-C282 WeakPolarHBondContact CD1-SG 3.34Å; C269-C282 WeakPolarHBondContact CA-SG 3.15Å; C269-C282 HydrophobicContact CB-CB 3.86Å; C269-C282 WeakPolarHBondContact CB-SG 3.44Å; C269-C282 WeakPolarHBondContact SG-CB 3.43Å; C269-C282 CovalentContact SG-SG 2.04Å; C269-C282 PolarHBondContact SG-SG 3Å; T273-C282 WeakPolarHBondContact OG1-CB 3.36Å
283	Q	94.4	Very high	90.5	Very high	111 Å²	111	63.7 Å²	63.7	52%	0.519	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.2	176.4	-64.8	-178.7	-13.6	0	0	109.9	T273 Y274	T273-Q283 CarbonylContact C-O 3.56Å; T273-Q283 WeakPolarHBondContact CA-O 3.36Å; T273-Q283 VanDerWaalsContact CB-O 3.25Å; T273-Q283 WeakPolarHBondContact CB-O 3.29Å; Y274-Q283 HydrophobicContact CD1-CB 4.21Å; Y274-Q283 WeakPolarHBondContact CD1-O 3.04Å; Y274-Q283 HydrophobicContact CE1-CB 3.8Å; Y274-Q283 HydrophobicContact CE2-CB 4.45Å; Y274-Q283 VanDerWaalsContact CZ-OE1 3.22Å; Y274-Q283 PolarHBondContact N-O 2.78Å; Y274-Q283 PolarHBondContact O-N 2.85Å; Y274-Q283 PolarHBondContact OH-OE1 2.88Å
284	S	93.7	Very high	90.1	Very high	97 Å²	97	64.1 Å²	64.1	68%	0.678	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	144.1	179.1	-57.8	0	0	0	0	112.7	D272	D272-S284 CarbonylContact O-C 3.52Å; D272-S284 WeakPolarHBondContact O-CA 3.44Å
285	C	91.2	Very high	89.9	Confident	20 Å²	20	62.1 Å²	62.1	14%	0.135	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.6	147.4	171.7	-68.4	0	0	0	0	111.5	D272 S291 C298	D272-C285 PolarHBondContact O-N 2.97Å; C285-S291 VanDerWaalsContact SG-CB 3.55Å; C285-S291 PolarHBondContact SG-OG 2.94Å; C285-C298 WeakPolarHBondContact CA-SG 3.08Å; C285-C298 HydrophobicContact CB-CB 3.87Å; C285-C298 WeakPolarHBondContact CB-SG 3.38Å; C285-C298 WeakPolarHBondContact SG-CB 3.42Å; C285-C298 CovalentContact SG-SG 2.03Å; C285-C298 PolarHBondContact SG-SG 3.35Å
286	P	90.9	Very high	89.6	Confident	62 Å²	62	65.3 Å²	65.3	40%	0.403	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-55.5	154.7	165.9	-24.7	34.9	0	0	0	112.5	D288 Q289	P286-D288 VanDerWaalsContact C-N 3.27Å; P286-D288 VanDerWaalsContact CB-OD1 3.23Å; P286-D288 WeakPolarHBondContact CB-OD1 3.37Å; P286-D288 PolarHBondContact O-N 2.83Å; P286-Q289 HydrophobicContact CB-CG 4.48Å; P286-Q289 CarbonylContact O-C 3.56Å; P286-Q289 PolarHBondContact O-N 2.78Å
287	A	84.9	Confident	89.6	Confident	95 Å²	95	65.1 Å²	65.1	79%	0.785	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.3	-174.7	0	0	0	0	0	114.2	Q289 R301	A287-Q289 VanDerWaalsContact C-N 3.27Å; A287-Q289 PolarHBondContact O-N 3.47Å; A287-R301 WeakPolarHBondContact O-CD 3.21Å; A287-R301 PolarHBondContact O-NE 3.02Å; A287-R301 VanDerWaalsContact O-NE 3.14Å
288	D	84.9	Confident	89.6	Confident	97 Å²	97	59.7 Å²	59.7	52%	0.519	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.6	176.3	63	-54.2	0	0	0	113.5	P286 R301	P286-D288 VanDerWaalsContact C-N 3.27Å; P286-D288 VanDerWaalsContact CB-OD1 3.23Å; P286-D288 WeakPolarHBondContact CB-OD1 3.37Å; P286-D288 PolarHBondContact O-N 2.83Å; D288-R301 WeakPolarHBondContact O-CB 3.09Å; D288-R301 WeakPolarHBondContact O-CG 3.5Å; D288-R301 PolarHBondContact O-N 2.9Å
289	Q	90.3	Very high	89.6	Confident	59 Å²	59	60.8 Å²	60.8	28%	0.276	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	163.5	-178.8	-57.3	-173.4	3.3	0	0	111.4	P286 A287 C298 S299 R301	P286-Q289 HydrophobicContact CB-CG 4.48Å; P286-Q289 CarbonylContact O-C 3.56Å; P286-Q289 PolarHBondContact O-N 2.78Å; A287-Q289 VanDerWaalsContact C-N 3.27Å; A287-Q289 PolarHBondContact O-N 3.47Å; Q289-C298 HydrophobicContact CB-CB 3.84Å; Q289-C298 VanDerWaalsContact OE1-CB 3.32Å; Q289-S299 CarbonylContact C-O 3.45Å; Q289-S299 WeakPolarHBondContact CA-O 3.24Å; Q289-S299 WeakPolarHBondContact CB-O 3.42Å; Q289-R301 VanDerWaalsContact O-CZ 3.28Å; Q289-R301 PolarHBondContact O-NE 3.15Å; Q289-R301 PolarHBondContact O-NH2 3.26Å
290	Y	88.4	Confident	89.4	Confident	70 Å²	70	64.6 Å²	64.6	28%	0.275	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	159.9	178.3	79.3	-78	0	0	0	110.7	D272 C298 S299 P300 R301 I333	D272-Y290 WeakPolarHBondContact OD1-CB 3.34Å; Y290-C298 CarbonylContact O-C 3.6Å; Y290-C298 WeakPolarHBondContact O-CA 3.32Å; Y290-S299 VanDerWaalsContact CD1-O 3.25Å; Y290-S299 WeakPolarHBondContact CD1-O 3.44Å; Y290-S299 PolarHBondContact N-O 3.21Å; Y290-S299 PolarHBondContact O-N 3.43Å; Y290-P300 WeakPolarHBondContact CE1-O 3.27Å; Y290-R301 HydrophobicContact CD1-CG 3.96Å; Y290-R301 HydrophobicContact CG-CG 4.46Å; Y290-I333 HydrophobicContact CD1-CG2 3.76Å; Y290-I333 HydrophobicContact CD2-CG1 4.31Å; Y290-I333 HydrophobicContact CD2-CG2 3.81Å; Y290-I333 HydrophobicContact CE1-CG2 3.62Å; Y290-I333 HydrophobicContact CE2-CD1 4.18Å; Y290-I333 HydrophobicContact CE2-CG1 4.36Å; Y290-I333 HydrophobicContact CE2-CG2 3.66Å; Y290-I333 HydrophobicContact CG-CG2 3.85Å
291	S	87	Confident	89.1	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.042	39%	0.385	C	S	.	.			trans	-140.8	146.6	171.4	66.2	0	0	0	0	110.8	D272 T273 C285	D272-S291 WeakPolarHBondContact CA-OG 3.35Å; D272-S291 PolarHBondContact N-O 3.41Å; D272-S291 PolarHBondContact N-OG 2.75Å; T273-S291 PolarHBondContact N-OG 2.9Å; T273-S291 PolarHBondContact O-OG 2.96Å; C285-S291 VanDerWaalsContact SG-CB 3.55Å; C285-S291 PolarHBondContact SG-OG 2.94Å
292	G	82.1	Confident	88.9	Confident	41 Å²	41	60.2 Å²	60.2	42%	0.423	38%	0.379	S	S	.	.			trans	-73.5	169.7	169	0	0	0	0	0	111.7	G294 S295	G292-G294 PolarHBondContact O-N 3.3Å; G292-S295 WeakPolarHBondContact O-CB 3.08Å; G292-S295 PolarHBondContact O-N 2.96Å
293	N	84.8	Confident	88.7	Confident	96 Å²	96	62 Å²	62	51%	0.513	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	135.6	170.1	-69.6	70.4	0	0	0	110.4	C269 R271 S295	C269-N293 CarbonylContact O-C 3.49Å; C269-N293 WeakPolarHBondContact O-CA 3.06Å; R271-N293 WeakPolarHBondContact CG-OD1 3.27Å; R271-N293 PolarHBondContact NE-OD1 2.85Å; R271-N293 VanDerWaalsContact NE-OD1 3.12Å; N293-S295 VanDerWaalsContact C-N 3.28Å; N293-S295 PolarHBondContact O-N 3.49Å
294	G	85.1	Confident	88.4	Confident	25 Å²	25	56.9 Å²	56.9	26%	0.258	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	15.7	177.3	0	0	0	0	0	114.9	G255 C269 G292	G255-G294 WeakPolarHBondContact O-CA 3.08Å; C269-G294 PolarHBondContact O-N 2.87Å; G292-G294 PolarHBondContact O-N 3.3Å
295	S	87.1	Confident	88.1	Confident	30 Å²	30	58.5 Å²	58.5	21%	0.21	36%	0.362	C	S	.	.			trans	-76.1	141.5	-179.5	-161.5	0	0	0	0	112.2	G255 Y274 G292 N293 S297	G255-S295 VanDerWaalsContact CA-O 3.26Å; G255-S295 WeakPolarHBondContact CA-O 3.25Å; Y274-S295 VanDerWaalsContact CA-O 3.32Å; Y274-S295 WeakPolarHBondContact CA-O 3.19Å; Y274-S295 WeakPolarHBondContact CB-O 3.21Å; G292-S295 WeakPolarHBondContact O-CB 3.08Å; G292-S295 PolarHBondContact O-N 2.96Å; N293-S295 VanDerWaalsContact C-N 3.28Å; N293-S295 PolarHBondContact O-N 3.49Å; S295-S297 WeakPolarHBondContact CB-O 3.22Å; S295-S297 PolarHBondContact OG-N 3.14Å; S295-S297 PolarHBondContact OG-O 2.96Å
296	S	89.5	Confident	87.6	Confident	69 Å²	69	64.5 Å²	64.5	48%	0.483	39%	0.386	S	S	.	.	S	Bend	trans	-84.3	-13.1	172.1	56.3	0	0	0	0	113.3	Y274	Y274-S296 WeakPolarHBondContact CD2-O 3.37Å
297	S	91.2	Very high	87	Confident	64 Å²	64	65.9 Å²	65.9	45%	0.448	39%	0.39	S	S	.	.	S	Bend	trans	-151.4	166.3	-179.9	63.4	0	0	0	0	112.8	S295	S295-S297 WeakPolarHBondContact CB-O 3.22Å; S295-S297 PolarHBondContact OG-N 3.14Å; S295-S297 PolarHBondContact OG-O 2.96Å
298	C	92.2	Very high	87	Confident	23 Å²	23	63.4 Å²	63.4	16%	0.155	36%	0.363	C	S	.	.			trans	-97.1	150.4	173.7	-51	0	0	0	0	111.1	Y274 C285 Q289 Y290	Y274-C298 WeakPolarHBondContact CD1-SG 3.35Å; C285-C298 WeakPolarHBondContact CA-SG 3.08Å; C285-C298 HydrophobicContact CB-CB 3.87Å; C285-C298 WeakPolarHBondContact CB-SG 3.38Å; C285-C298 WeakPolarHBondContact SG-CB 3.42Å; C285-C298 CovalentContact SG-SG 2.03Å; C285-C298 PolarHBondContact SG-SG 3.35Å; Q289-C298 HydrophobicContact CB-CB 3.84Å; Q289-C298 VanDerWaalsContact OE1-CB 3.32Å; Y290-C298 CarbonylContact O-C 3.6Å; Y290-C298 WeakPolarHBondContact O-CA 3.32Å
299	S	89.3	Confident	87	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.1	177.9	-67.9	0	0	0	0	110.4	Q289 Y290	Q289-S299 CarbonylContact C-O 3.45Å; Q289-S299 WeakPolarHBondContact CA-O 3.24Å; Q289-S299 WeakPolarHBondContact CB-O 3.42Å; Y290-S299 VanDerWaalsContact CD1-O 3.25Å; Y290-S299 WeakPolarHBondContact CD1-O 3.44Å; Y290-S299 PolarHBondContact N-O 3.21Å; Y290-S299 PolarHBondContact O-N 3.43Å
300	P	89.5	Confident	86.6	Confident	99 Å²	99	58.2 Å²	58.2	64%	0.643	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.5	-179.8	26.7	-34.2	0	0	0	112.3	Y290	Y290-P300 WeakPolarHBondContact CE1-O 3.27Å
301	R	88.5	Confident	86.3	Confident	51 Å²	51	55.9 Å²	55.9	19%	0.192	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-72.8	130.6	175.7	-66.6	-177.1	-175.9	-84.9	-7	110.6	D272 A287 D288 Q289 Y290 K332 I333 D335	D272-R301 IonicContact OD1-CZ 3.83Å; D272-R301 IonicContact OD1-NH2 2.77Å; D272-R301 PolarHBondContact OD1-NH2 2.82Å; D272-R301 IonicContact OD2-NH2 3.93Å; A287-R301 WeakPolarHBondContact O-CD 3.21Å; A287-R301 PolarHBondContact O-NE 3.02Å; A287-R301 VanDerWaalsContact O-NE 3.14Å; D288-R301 WeakPolarHBondContact O-CB 3.09Å; D288-R301 WeakPolarHBondContact O-CG 3.5Å; D288-R301 PolarHBondContact O-N 2.9Å; Q289-R301 VanDerWaalsContact O-CZ 3.28Å; Q289-R301 PolarHBondContact O-NE 3.15Å; Q289-R301 PolarHBondContact O-NH2 3.26Å; Y290-R301 HydrophobicContact CD1-CG 3.96Å; Y290-R301 HydrophobicContact CG-CG 4.46Å; R301-K332 PolarHBondContact NH1-O 2.75Å; R301-I333 WeakPolarHBondContact CB-O 3.37Å; R301-I333 VanDerWaalsContact CD-O 3.28Å; R301-I333 WeakPolarHBondContact CD-O 3.28Å; R301-I333 WeakPolarHBondContact CG-O 3.31Å; R301-I333 PolarHBondContact NH1-O 3.19Å; R301-I333 VanDerWaalsContact NH1-O 3.12Å; R301-D335 HydrophobicContact CB-CB 4.11Å
302	P	88.7	Confident	86.1	Confident	63 Å²	63	59.4 Å²	59.4	41%	0.409	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-73.3	159.1	173.1	31.4	-34	0	0	0	111.6	I333 C334 D335	P302-I333 HydrophobicContact CG-CG2 4.44Å; P302-C334 CarbonylContact O-C 3.5Å; P302-C334 WeakPolarHBondContact O-CA 3.49Å; P302-C334 WeakPolarHBondContact O-CB 3.29Å; P302-D335 PolarHBondContact O-N 3.35Å
303	P	89.1	Confident	86	Confident	67 Å²	67	58.9 Å²	58.9	44%	0.435	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-67.6	138.1	177.5	28	-34.8	0	0	0	111.7	S338	P303-S338 WeakPolarHBondContact CB-O 3.48Å
304	C	88.9	Confident	85.8	Confident	5 Å²	5	56 Å²	56	3%	0.034	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63	137.2	178.6	-68.9	0	0	0	0	112.7	W328 C334 D335 G339 V340	C304-W328 HydrophobicContact CB-CH2 3.71Å; C304-W328 HydrophobicContact CB-CZ3 3.9Å; C304-C334 VanDerWaalsContact CA-CB 3.49Å; C304-C334 WeakPolarHBondContact CA-SG 3.26Å; C304-C334 HydrophobicContact CB-CB 3.78Å; C304-C334 WeakPolarHBondContact CB-SG 3.36Å; C304-C334 WeakPolarHBondContact SG-CB 3.32Å; C304-C334 PolarHBondContact SG-O 3.05Å; C304-C334 CovalentContact SG-SG 2.04Å; C304-C334 PolarHBondContact SG-SG 3.1Å; C304-D335 PolarHBondContact N-O 3.46Å; C304-D335 PolarHBondContact SG-O 2.81Å; C304-D335 VanDerWaalsContact SG-O 3.33Å; C304-G339 WeakPolarHBondContact O-CA 3.47Å; C304-V340 HydrophobicContact CB-CG2 4.44Å; C304-V340 PolarHBondContact O-N 3.33Å
305	K	86.6	Confident	85.5	Confident	130 Å²	130	57.6 Å²	57.6	57%	0.565	32%	0.32	S	S	*	.			trans	-112.9	166.4	176.7	-61.5	177.1	-174.1	173.4	0	110.7	D307 D308 V340	K305-D307 PolarHBondContact O-N 3.26Å; K305-D308 PolarHBondContact N-OD2 2.96Å; K305-D308 WeakPolarHBondContact O-CB 3.19Å; K305-D308 PolarHBondContact O-N 2.97Å; K305-D308 VanDerWaalsContact O-N 3.16Å; K305-V340 VanDerWaalsContact C-CG2 3.46Å
306	K	81.3	Confident	85	Confident	147 Å²	147	57 Å²	57	64%	0.639	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.3	-26.6	175.4	-67.6	-171.4	178.5	-176.4	0	113.2	D308 Y309	K306-D308 VanDerWaalsContact C-N 3.25Å; K306-D308 PolarHBondContact O-N 3Å; K306-Y309 HydrophobicContact CB-CE1 4.38Å; K306-Y309 HydrophobicContact CG-CE1 4.48Å
307	D	78.8	Confident	84.5	Confident	91 Å²	91	57.5 Å²	57.5	49%	0.487	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-75.5	-12.6	179.7	-57.3	-34.4	0	0	0	113.2	K305 I542 Q543	K305-D307 PolarHBondContact O-N 3.26Å; D307-I542 WeakPolarHBondContact O-CD1 3.21Å; D307-Q543 HydrophobicContact CB-CG 4.21Å; D307-Q543 PolarHBondContact O-NE2 2.81Å
308	D	83.2	Confident	83.7	Confident	43 Å²	43	64.2 Å²	64.2	23%	0.23	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-85.5	-6.5	-175.2	-62.3	-35.7	0	0	0	113.2	K305 K306 W328 I329	K305-D308 PolarHBondContact N-OD2 2.96Å; K305-D308 WeakPolarHBondContact O-CB 3.19Å; K305-D308 PolarHBondContact O-N 2.97Å; K305-D308 VanDerWaalsContact O-N 3.16Å; K306-D308 VanDerWaalsContact C-N 3.25Å; K306-D308 PolarHBondContact O-N 3Å; D308-W328 HydrophobicContact CB-CE3 4.03Å; D308-W328 HydrophobicContact CB-CZ3 3.89Å; D308-I329 PolarHBondContact O-N 2.91Å
309	Y	85.9	Confident	83	Confident	37 Å²	37	70.7 Å²	70.7	15%	0.145	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.3	176.6	64.4	-108.3	0	0	0	112.3	K306 W326 K327 W328 V340 L342 P343	K306-Y309 HydrophobicContact CB-CE1 4.38Å; K306-Y309 HydrophobicContact CG-CE1 4.48Å; Y309-W326 AromaticContact CD2-CD1 3.56Å; Y309-W326 HydrophobicContact CD2-CG 4.39Å; Y309-W326 AromaticContact CE2-CD1 3.64Å; Y309-K327 CarbonylContact C-O 3.59Å; Y309-K327 WeakPolarHBondContact CA-O 3.49Å; Y309-K327 WeakPolarHBondContact CB-O 3.43Å; Y309-W328 HydrophobicContact CD1-CE3 4.46Å; Y309-W328 HydrophobicContact CD1-CH2 4.04Å; Y309-W328 AromaticContact CD1-CZ3 3.78Å; Y309-W328 HydrophobicContact CD1-CZ3 3.78Å; Y309-W328 HydrophobicContact CG-CZ3 4.4Å; Y309-V340 HydrophobicContact CD1-CG2 4.48Å; Y309-V340 HydrophobicContact CE1-CG2 3.97Å; Y309-L342 HydrophobicContact CD1-CD2 4.18Å; Y309-L342 HydrophobicContact CG-CD2 3.92Å; Y309-P343 HydrophobicContact CE2-CG 3.88Å
310	T	81.6	Confident	82.4	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.055	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.8	173.7	-173.7	0	0	0	0	110.8	W326 K327 I329 E424 V434	T310-W326 WeakPolarHBondContact O-CA 3.36Å; T310-K327 HydrophobicContact CG2-CD 4.45Å; T310-K327 VanDerWaalsContact CG2-CE 3.48Å; T310-K327 HydrophobicContact CG2-CG 3.95Å; T310-K327 PolarHBondContact N-O 3.05Å; T310-K327 PolarHBondContact O-N 2.9Å; T310-I329 HydrophobicContact CG2-CG1 4.2Å; T310-E424 PolarHBondContact OG1-OE2 2.82Å; T310-E424 VanDerWaalsContact OG1-OE2 3.04Å; T310-V434 HydrophobicContact CG2-CG1 4.38Å
311	S	82	Confident	82	Confident	22 Å²	22	69.8 Å²	69.8	15%	0.154	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.2	171.8	62.7	0	0	0	0	110.6	K325	S311-K325 CarbonylContact C-O 3.59Å; S311-K325 WeakPolarHBondContact CA-O 3.46Å
312	Y	81.9	Confident	81.8	Confident	79 Å²	79	67.5 Å²	67.5	31%	0.31	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.6	170.1	71.6	-79.9	0	0	0	110.1	T314 K325 K327	Y312-T314 HydrophobicContact CE2-CG2 4.42Å; Y312-K325 HydrophobicContact CD1-CB 4.27Å; Y312-K325 WeakPolarHBondContact CD1-O 3.05Å; Y312-K325 HydrophobicContact CE1-CB 3.6Å; Y312-K325 HydrophobicContact CE2-CB 4.14Å; Y312-K325 PolarHBondContact N-O 3.06Å; Y312-K325 PolarHBondContact O-N 2.9Å; Y312-K325 VanDerWaalsContact O-O 3.05Å; Y312-K327 HydrophobicContact CD1-CB 3.95Å; Y312-K327 HydrophobicContact CD1-CD 3.84Å; Y312-K327 HydrophobicContact CD1-CG 3.72Å; Y312-K327 HydrophobicContact CE1-CB 3.79Å; Y312-K327 HydrophobicContact CE1-CD 4.3Å; Y312-K327 HydrophobicContact CE1-CG 4.09Å; Y312-K327 HydrophobicContact CG-CD 4.35Å
313	W	79.9	Confident	81.7	Confident	31 Å²	31	66.8 Å²	66.8	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.2	173.1	-69.6	87.8	0	0	0	110.6	T322 R324 R425 D426 L427	W313-T322 HydrophobicContact CE3-CG2 4Å; W313-T322 HydrophobicContact CZ3-CG2 4.33Å; W313-R324 HydrophobicContact CD2-CB 4.02Å; W313-R324 HydrophobicContact CE3-CB 3.97Å; W313-R324 HydrophobicContact CH2-CB 3.72Å; W313-R324 HydrophobicContact CZ2-CB 3.8Å; W313-R324 HydrophobicContact CZ2-CG 4.26Å; W313-R324 VanDerWaalsContact CZ2-NE 3.25Å; W313-R324 HydrophobicContact CZ3-CB 3.82Å; W313-R425 VanDerWaalsContact CD1-O 3.31Å; W313-D426 PolarHBondContact NE1-OD1 3.19Å; W313-L427 HydrophobicContact CB-CD2 4.36Å; W313-L427 HydrophobicContact CD2-CD1 3.92Å; W313-L427 HydrophobicContact CD2-CD2 3.57Å; W313-L427 HydrophobicContact CD2-CG 3.61Å; W313-L427 VanDerWaalsContact CE2-CG 3.41Å; W313-L427 HydrophobicContact CE3-CD1 3.98Å; W313-L427 HydrophobicContact CE3-CD2 3.77Å; W313-L427 HydrophobicContact CE3-CG 4.06Å; W313-L427 HydrophobicContact CG-CD2 3.83Å; W313-L427 HydrophobicContact CG-CG 4.05Å; W313-L427 HydrophobicContact CH2-CD1 3.35Å; W313-L427 HydrophobicContact CH2-CG 4.17Å; W313-L427 HydrophobicContact CZ2-CD1 3.23Å; W313-L427 HydrophobicContact CZ2-CD2 4.46Å; W313-L427 HydrophobicContact CZ2-CG 3.7Å; W313-L427 HydrophobicContact CZ3-CD1 3.72Å; W313-L427 HydrophobicContact CZ3-CD2 4.31Å; W313-L427 HydrophobicContact CZ3-CG 4.32Å
314	T	81.5	Confident	81.5	Confident	36 Å²	36	66.3 Å²	66.3	22%	0.221	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-66.1	156.3	171.6	60.2	0	0	0	0	110.7	Y312 T322 Q323 K325	Y312-T314 HydrophobicContact CE2-CG2 4.42Å; T314-T322 PolarHBondContact O-OG1 3.22Å; T314-Q323 PolarHBondContact N-O 3.21Å; T314-Q323 PolarHBondContact OG1-N 3.05Å; T314-Q323 PolarHBondContact OG1-O 3.33Å; T314-K325 HydrophobicContact CG2-CD 3.66Å; T314-K325 HydrophobicContact CG2-CG 4.11Å
315	S	78.2	Confident	81.5	Confident	58 Å²	58	69.2 Å²	69.2	41%	0.406	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-57.4	152.4	166.8	-60.3	0	0	0	0	110.4	D317 N364	S315-D317 PolarHBondContact O-N 2.97Å; S315-N364 WeakPolarHBondContact CA-OD1 3.44Å; S315-N364 WeakPolarHBondContact CB-ND2 3.49Å; S315-N364 WeakPolarHBondContact CB-OD1 3.3Å; S315-N364 PolarHBondContact OG-ND2 3.45Å; S315-N364 PolarHBondContact OG-OD1 3.11Å
316	C	77.7	Confident	81.5	Confident	16 Å²	16	65.3 Å²	65.3	11%	0.108	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.3	126	172.4	-66.5	0	0	0	0	108.9	M321 C351 G363	C316-M321 WeakPolarHBondContact CA-O 3.24Å; C316-C351 HydrophobicContact CB-CB 4.21Å; C316-C351 WeakPolarHBondContact CB-SG 3.16Å; C316-C351 WeakPolarHBondContact SG-CB 3.32Å; C316-C351 CovalentContact SG-SG 2.04Å; C316-C351 PolarHBondContact SG-SG 3.04Å; C316-G363 WeakPolarHBondContact CB-O 3.42Å
317	D	78.9	Confident	81.8	Confident	80 Å²	80	62 Å²	62	43%	0.428	30%	0.299	S	S	.	.			trans	-76.9	-178.7	174.7	68	16.7	0	0	0	111.8	S315 Q319 E320 M321	S315-D317 PolarHBondContact O-N 2.97Å; D317-Q319 PolarHBondContact O-N 3.47Å; D317-Q319 VanDerWaalsContact OD1-C 3.3Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.36Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.44Å; D317-Q319 PolarHBondContact OD1-N 2.6Å; D317-E320 PolarHBondContact O-N 2.87Å; D317-E320 PolarHBondContact OD1-N 2.97Å; D317-E320 VanDerWaalsContact OD1-N 3.08Å; D317-M321 PolarHBondContact N-O 3.32Å; D317-M321 PolarHBondContact OD1-N 3.35Å
318	Q	74.7	Confident	82.2	Confident	206 Å²	206	59.2 Å²	59.2	96%	0.963	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	178.3	-66.4	-179.9	-15.3	0	0	113.5	E320	Q318-E320 VanDerWaalsContact C-N 3.33Å
319	Q	76.6	Confident	82.1	Confident	158 Å²	158	58.3 Å²	58.3	74%	0.738	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	10.1	176.6	-63.3	-176.7	-14	0	0	111.9	D317 M321	D317-Q319 PolarHBondContact O-N 3.47Å; D317-Q319 VanDerWaalsContact OD1-C 3.3Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.36Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.44Å; D317-Q319 PolarHBondContact OD1-N 2.6Å; Q319-M321 VanDerWaalsContact C-N 3.29Å; Q319-M321 HydrophobicContact CB-CG 4.2Å; Q319-M321 PolarHBondContact O-N 2.04Å
320	E	76.2	Confident	81.5	Confident	86 Å²	86	65 Å²	65	40%	0.402	31%	0.309	S	S	.	.	S	Bend	trans	58.2	38.2	-175.7	-53.6	-170.5	132.3	0	0	113	D317 Q318 H350 C351	D317-E320 PolarHBondContact O-N 2.87Å; D317-E320 PolarHBondContact OD1-N 2.97Å; D317-E320 VanDerWaalsContact OD1-N 3.08Å; Q318-E320 VanDerWaalsContact C-N 3.33Å; E320-H350 CarbonylContact O-C 3.6Å; E320-H350 WeakPolarHBondContact O-CA 3.43Å; E320-H350 PolarHBondContact O-ND1 2.91Å; E320-H350 VanDerWaalsContact O-ND1 3.12Å; E320-H350 IonicContact OE2-CE1 3.92Å; E320-H350 PolarHBondContact OE2-CE1 3.41Å; E320-H350 IonicContact OE2-NE2 3.61Å; E320-C351 HydrophobicContact CB-CB 4.48Å; E320-C351 WeakPolarHBondContact O-CB 3.43Å; E320-C351 PolarHBondContact O-N 3.08Å
321	M	82.6	Confident	81.2	Confident	50 Å²	50	67.7 Å²	67.7	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.2	176.9	-57.6	-64.9	-73.8	0	0	110.7	C316 D317 Q319 P348 H350	C316-M321 WeakPolarHBondContact CA-O 3.24Å; D317-M321 PolarHBondContact N-O 3.32Å; D317-M321 PolarHBondContact OD1-N 3.35Å; Q319-M321 VanDerWaalsContact C-N 3.29Å; Q319-M321 HydrophobicContact CB-CG 4.2Å; Q319-M321 PolarHBondContact O-N 2.04Å; M321-P348 HydrophobicContact CB-CB 4.4Å; M321-P348 HydrophobicContact CE-CB 3.79Å; M321-P348 WeakPolarHBondContact CE-O 3.39Å; M321-H350 HydrophobicContact SD-CB 4.01Å
322	T	84.1	Confident	81.2	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.2	172	-177.8	0	0	0	0	109.9	W313 T314 P348 V349 Y402 L427	W313-T322 HydrophobicContact CE3-CG2 4Å; W313-T322 HydrophobicContact CZ3-CG2 4.33Å; T314-T322 PolarHBondContact O-OG1 3.22Å; T322-P348 WeakPolarHBondContact O-CA 3.5Å; T322-V349 PolarHBondContact N-O 3.3Å; T322-V349 PolarHBondContact O-N 3.22Å; T322-Y402 HydrophobicContact CG2-CE1 4.48Å; T322-L427 HydrophobicContact CG2-CD2 4.02Å
323	Q	86	Confident	81.3	Confident	47 Å²	47	69.6 Å²	69.6	22%	0.22	34%	0.336	C	S	.	.			trans	-133.2	136	-176	-164.3	-176.4	18.2	0	0	109.9	T314 K325 S345 E346 P348	T314-Q323 PolarHBondContact N-O 3.21Å; T314-Q323 PolarHBondContact OG1-N 3.05Å; T314-Q323 PolarHBondContact OG1-O 3.33Å; Q323-K325 VanDerWaalsContact OE1-CE 3.24Å; Q323-S345 VanDerWaalsContact NE2-CB 3.35Å; Q323-E346 WeakPolarHBondContact CG-O 3.43Å; Q323-E346 PolarHBondContact NE2-O 3.34Å; Q323-P348 HydrophobicContact CG-CG 4.37Å
324	R	86	Confident	81.6	Confident	57 Å²	57	68.6 Å²	68.6	22%	0.215	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.8	170.9	-171.6	179.7	-87	168.2	-9.2	109.8	W313 W326 E346 D426	W313-R324 HydrophobicContact CD2-CB 4.02Å; W313-R324 HydrophobicContact CE3-CB 3.97Å; W313-R324 HydrophobicContact CH2-CB 3.72Å; W313-R324 HydrophobicContact CZ2-CB 3.8Å; W313-R324 HydrophobicContact CZ2-CG 4.26Å; W313-R324 VanDerWaalsContact CZ2-NE 3.25Å; W313-R324 HydrophobicContact CZ3-CB 3.82Å; R324-W326 HydrophobicContact CG-CH2 4.04Å; R324-W326 HydrophobicContact CG-CZ2 4.23Å; R324-W326 HydrophobicContact CG-CZ3 4.37Å; R324-E346 HydrophobicContact CB-CB 4.25Å; R324-E346 WeakPolarHBondContact CD-OE1 3.17Å; R324-E346 IonicContact NH1-OE1 3.85Å; R324-E346 PolarHBondContact NH1-OE1 3.35Å; R324-E346 IonicContact NH1-OE2 3.81Å; R324-E346 PolarHBondContact O-N 3.3Å; R324-D426 IonicContact CZ-OD1 2.81Å; R324-D426 IonicContact NH2-OD1 2.67Å; R324-D426 PolarHBondContact NH2-OD1 3.21Å; R324-D426 IonicContact NH2-OD2 3.82Å
325	K	88.1	Confident	81.8	Confident	67 Å²	67	68.9 Å²	68.9	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	164.3	176.9	-64.1	-171.4	178.5	179.5	0	109.4	S311 Y312 T314 Q323	S311-K325 CarbonylContact C-O 3.59Å; S311-K325 WeakPolarHBondContact CA-O 3.46Å; Y312-K325 HydrophobicContact CD1-CB 4.27Å; Y312-K325 WeakPolarHBondContact CD1-O 3.05Å; Y312-K325 HydrophobicContact CE1-CB 3.6Å; Y312-K325 HydrophobicContact CE2-CB 4.14Å; Y312-K325 PolarHBondContact N-O 3.06Å; Y312-K325 PolarHBondContact O-N 2.9Å; Y312-K325 VanDerWaalsContact O-O 3.05Å; T314-K325 HydrophobicContact CG2-CD 3.66Å; T314-K325 HydrophobicContact CG2-CG 4.11Å; Q323-K325 VanDerWaalsContact OE1-CE 3.24Å
326	W	87.4	Confident	82.2	Confident	47 Å²	47	68.9 Å²	68.9	18%	0.178	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.5	177.2	-70.1	-99.4	0	0	0	110.5	Y309 T310 R324 L342 P343 E344 E346	Y309-W326 AromaticContact CD2-CD1 3.56Å; Y309-W326 HydrophobicContact CD2-CG 4.39Å; Y309-W326 AromaticContact CE2-CD1 3.64Å; T310-W326 WeakPolarHBondContact O-CA 3.36Å; R324-W326 HydrophobicContact CG-CH2 4.04Å; R324-W326 HydrophobicContact CG-CZ2 4.23Å; R324-W326 HydrophobicContact CG-CZ3 4.37Å; W326-L342 HydrophobicContact CB-CD2 4.01Å; W326-P343 HydrophobicContact CD2-CB 3.93Å; W326-P343 HydrophobicContact CD2-CG 4.11Å; W326-P343 HydrophobicContact CE3-CB 4.1Å; W326-P343 HydrophobicContact CG-CB 4.33Å; W326-P343 HydrophobicContact CG-CG 4.06Å; W326-P343 HydrophobicContact CZ3-CB 4.49Å; W326-E344 WeakPolarHBondContact CZ3-O 3.26Å; W326-E346 HydrophobicContact CH2-CG 3.81Å; W326-E346 WeakPolarHBondContact CH2-OE1 3.39Å; W326-E346 HydrophobicContact CZ3-CG 4.38Å
327	K	86.6	Confident	82.5	Confident	77 Å²	77	75.6 Å²	75.6	34%	0.335	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.9	174.7	65.1	180	-179.9	175.6	0	109.3	Y309 T310 Y312 E424	Y309-K327 CarbonylContact C-O 3.59Å; Y309-K327 WeakPolarHBondContact CA-O 3.49Å; Y309-K327 WeakPolarHBondContact CB-O 3.43Å; T310-K327 HydrophobicContact CG2-CD 4.45Å; T310-K327 VanDerWaalsContact CG2-CE 3.48Å; T310-K327 HydrophobicContact CG2-CG 3.95Å; T310-K327 PolarHBondContact N-O 3.05Å; T310-K327 PolarHBondContact O-N 2.9Å; Y312-K327 HydrophobicContact CD1-CB 3.95Å; Y312-K327 HydrophobicContact CD1-CD 3.84Å; Y312-K327 HydrophobicContact CD1-CG 3.72Å; Y312-K327 HydrophobicContact CE1-CB 3.79Å; Y312-K327 HydrophobicContact CE1-CD 4.3Å; Y312-K327 HydrophobicContact CE1-CG 4.09Å; Y312-K327 HydrophobicContact CG-CD 4.35Å; K327-E424 WeakPolarHBondContact CE-OE1 3.08Å; K327-E424 IonicContact NZ-OE1 2.7Å; K327-E424 PolarHBondContact NZ-OE1 2.99Å
328	W	86.9	Confident	82.7	Confident	34 Å²	34	75.1 Å²	75.1	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.7	170	-62.9	106.2	0	0	0	110.4	C304 D308 Y309 K332 E336 V340 L342	C304-W328 HydrophobicContact CB-CH2 3.71Å; C304-W328 HydrophobicContact CB-CZ3 3.9Å; D308-W328 HydrophobicContact CB-CE3 4.03Å; D308-W328 HydrophobicContact CB-CZ3 3.89Å; Y309-W328 HydrophobicContact CD1-CE3 4.46Å; Y309-W328 HydrophobicContact CD1-CH2 4.04Å; Y309-W328 AromaticContact CD1-CZ3 3.78Å; Y309-W328 HydrophobicContact CD1-CZ3 3.78Å; Y309-W328 HydrophobicContact CG-CZ3 4.4Å; W328-K332 HydrophobicContact CB-CB 4.15Å; W328-K332 HydrophobicContact CB-CD 4.3Å; W328-K332 HydrophobicContact CB-CG 4.1Å; W328-K332 HydrophobicContact CD2-CD 4.24Å; W328-K332 HydrophobicContact CD2-CG 4.32Å; W328-K332 HydrophobicContact CG-CD 3.81Å; W328-K332 HydrophobicContact CG-CG 3.99Å; W328-E336 HydrophobicContact CZ2-CG 4.21Å; W328-V340 WeakPolarHBondContact CH2-O 3.26Å; W328-L342 HydrophobicContact CD2-CD2 3.92Å; W328-L342 HydrophobicContact CD2-CG 4.4Å; W328-L342 HydrophobicContact CE3-CD2 4.41Å; W328-L342 HydrophobicContact CG-CD2 4.32Å; W328-L342 HydrophobicContact CH2-CD2 4.31Å; W328-L342 HydrophobicContact CZ2-CD2 3.83Å; W328-L342 HydrophobicContact CZ2-CG 3.75Å
329	I	80.8	Confident	83.2	Confident	24 Å²	24	66.9 Å²	66.9	12%	0.123	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72.9	126.4	170.6	-66.5	167.9	0	0	0	107.6	D308 T310 P331 V434 G435 I542	D308-I329 PolarHBondContact O-N 2.91Å; T310-I329 HydrophobicContact CG2-CG1 4.2Å; I329-P331 CarbonylContact O-C 3.57Å; I329-P331 VanDerWaalsContact O-C 3.3Å; I329-V434 HydrophobicContact CD1-CG1 4.16Å; I329-G435 VanDerWaalsContact CG2-CA 3.44Å; I329-I542 HydrophobicContact CD1-CB 4.41Å; I329-I542 HydrophobicContact CD1-CD1 3.99Å; I329-I542 HydrophobicContact CD1-CG1 4.37Å
330	E	74.6	Confident	83.7	Confident	176 Å²	176	61.8 Å²	61.8	82%	0.822	32%	0.315	S	S	*	.	S	Bend	trans	-80.5	138.5	-179.5	-69.9	-173.6	176.3	0	0	111.5
331	P	74.7	Confident	84.2	Confident	66 Å²	66	61.3 Å²	61.3	43%	0.429	32%	0.321	S	S	.	.	S	Bend	cis	-79.6	137.8	-2.5	31.3	-32.5	0	0	0	113.1	I329 I333	I329-P331 CarbonylContact O-C 3.57Å; I329-P331 VanDerWaalsContact O-C 3.3Å; P331-I333 HydrophobicContact CG-CD1 4.31Å; P331-I333 HydrophobicContact CG-CG1 4.31Å; P331-I333 PolarHBondContact O-N 3.32Å
332	K	82.9	Confident	84.5	Confident	80 Å²	80	61.6 Å²	61.6	35%	0.348	32%	0.324	S	S	.	.			trans	-70.4	97.2	171.4	-173	-167.7	-177.2	-174.7	0	109.8	R301 W328 E336	R301-K332 PolarHBondContact NH1-O 2.75Å; W328-K332 HydrophobicContact CB-CB 4.15Å; W328-K332 HydrophobicContact CB-CD 4.3Å; W328-K332 HydrophobicContact CB-CG 4.1Å; W328-K332 HydrophobicContact CD2-CD 4.24Å; W328-K332 HydrophobicContact CD2-CG 4.32Å; W328-K332 HydrophobicContact CG-CD 3.81Å; W328-K332 HydrophobicContact CG-CG 3.99Å; K332-E336 IonicContact NZ-OE2 2.78Å; K332-E336 PolarHBondContact NZ-OE2 3.03Å
333	I	82.9	Confident	84.7	Confident	61 Å²	61	63.6 Å²	63.6	31%	0.313	34%	0.337	S	S	.	.			trans	-87.5	-33.7	176.9	-65.7	170.5	0	0	0	110.9	Y290 R301 P302 P331	Y290-I333 HydrophobicContact CD1-CG2 3.76Å; Y290-I333 HydrophobicContact CD2-CG1 4.31Å; Y290-I333 HydrophobicContact CD2-CG2 3.81Å; Y290-I333 HydrophobicContact CE1-CG2 3.62Å; Y290-I333 HydrophobicContact CE2-CD1 4.18Å; Y290-I333 HydrophobicContact CE2-CG1 4.36Å; Y290-I333 HydrophobicContact CE2-CG2 3.66Å; Y290-I333 HydrophobicContact CG-CG2 3.85Å; R301-I333 WeakPolarHBondContact CB-O 3.37Å; R301-I333 VanDerWaalsContact CD-O 3.28Å; R301-I333 WeakPolarHBondContact CD-O 3.28Å; R301-I333 WeakPolarHBondContact CG-O 3.31Å; R301-I333 PolarHBondContact NH1-O 3.19Å; R301-I333 VanDerWaalsContact NH1-O 3.12Å; P302-I333 HydrophobicContact CG-CG2 4.44Å; P331-I333 HydrophobicContact CG-CD1 4.31Å; P331-I333 HydrophobicContact CG-CG1 4.31Å; P331-I333 PolarHBondContact O-N 3.32Å
334	C	85.5	Confident	84.9	Confident	11 Å²	11	70.1 Å²	70.1	7%	0.074	37%	0.367	C	S	.	.	S	Bend	trans	-73.7	153.7	-170.1	70.8	0	0	0	0	114.4	P302 C304	P302-C334 CarbonylContact O-C 3.5Å; P302-C334 WeakPolarHBondContact O-CA 3.49Å; P302-C334 WeakPolarHBondContact O-CB 3.29Å; C304-C334 VanDerWaalsContact CA-CB 3.49Å; C304-C334 WeakPolarHBondContact CA-SG 3.26Å; C304-C334 HydrophobicContact CB-CB 3.78Å; C304-C334 WeakPolarHBondContact CB-SG 3.36Å; C304-C334 WeakPolarHBondContact SG-CB 3.32Å; C304-C334 PolarHBondContact SG-O 3.05Å; C304-C334 CovalentContact SG-SG 2.04Å; C304-C334 PolarHBondContact SG-SG 3.1Å
335	D	87.1	Confident	84.9	Confident	42 Å²	42	70.4 Å²	70.4	23%	0.225	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-91.1	127.2	172.2	173.5	36.3	0	0	0	111.4	R301 P302 C304 N337 S338	R301-D335 HydrophobicContact CB-CB 4.11Å; P302-D335 PolarHBondContact O-N 3.35Å; C304-D335 PolarHBondContact N-O 3.46Å; C304-D335 PolarHBondContact SG-O 2.81Å; C304-D335 VanDerWaalsContact SG-O 3.33Å; D335-N337 PolarHBondContact OD1-N 2.87Å; D335-N337 VanDerWaalsContact OD1-N 3.07Å; D335-N337 PolarHBondContact OD1-ND2 2.89Å; D335-S338 WeakPolarHBondContact OD2-CB 3.49Å; D335-S338 PolarHBondContact OD2-N 2.86Å; D335-S338 PolarHBondContact OD2-OG 2.87Å
336	E	85.5	Confident	84.9	Confident	58 Å²	58	70.8 Å²	70.8	27%	0.271	38%	0.381	S	S	.	.	S	Bend	trans	-82.3	-24.9	-176.6	-172.9	164.3	-172.7	0	0	112.1	W328 K332 S338 G339	W328-E336 HydrophobicContact CZ2-CG 4.21Å; K332-E336 IonicContact NZ-OE2 2.78Å; K332-E336 PolarHBondContact NZ-OE2 3.03Å; E336-S338 VanDerWaalsContact C-N 3.34Å; E336-G339 PolarHBondContact O-N 3.11Å
337	N	84.3	Confident	84.8	Confident	156 Å²	156	73.1 Å²	73.1	83%	0.834	40%	0.404	S	S	*	.	S	Bend	trans	-71.4	-31.7	179.9	-62.1	-50.3	0	0	0	112.3	D335	D335-N337 PolarHBondContact OD1-N 2.87Å; D335-N337 VanDerWaalsContact OD1-N 3.07Å; D335-N337 PolarHBondContact OD1-ND2 2.89Å
338	S	82.7	Confident	84.7	Confident	71 Å²	71	72.9 Å²	72.9	50%	0.497	41%	0.41	S	S	.	.	S	Bend	trans	-96.7	-1.6	178.9	54.6	0	0	0	0	113.9	P303 D335 E336	P303-S338 WeakPolarHBondContact CB-O 3.48Å; D335-S338 WeakPolarHBondContact OD2-CB 3.49Å; D335-S338 PolarHBondContact OD2-N 2.86Å; D335-S338 PolarHBondContact OD2-OG 2.87Å; E336-S338 VanDerWaalsContact C-N 3.34Å
339	G	85	Confident	84.6	Confident	32 Å²	32	74.3 Å²	74.3	33%	0.33	42%	0.422	S	S	.	.	S	Bend	trans	-129.5	-153.2	-172.5	0	0	0	0	0	114.1	C304 E336	C304-G339 WeakPolarHBondContact O-CA 3.47Å; E336-G339 PolarHBondContact O-N 3.11Å
340	V	88.1	Confident	84.6	Confident	51 Å²	51	77.8 Å²	77.8	31%	0.309	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-83.5	143.2	173.1	-59.2	0	0	0	0	110.9	C304 K305 Y309 W328	C304-V340 HydrophobicContact CB-CG2 4.44Å; C304-V340 PolarHBondContact O-N 3.33Å; K305-V340 VanDerWaalsContact C-CG2 3.46Å; Y309-V340 HydrophobicContact CD1-CG2 4.48Å; Y309-V340 HydrophobicContact CE1-CG2 3.97Å; W328-V340 WeakPolarHBondContact CH2-O 3.26Å
341	S	87.5	Confident	84.6	Confident	76 Å²	76	69.7 Å²	69.7	53%	0.531	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-88.8	163	168.2	-50.6	0	0	0	0	111.2
342	L	88.1	Confident	84.4	Confident	57 Å²	57	71.2 Å²	71.2	30%	0.298	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-60.2	138.4	173.9	-68.8	175.4	0	0	0	111	Y309 W326 W328	Y309-L342 HydrophobicContact CD1-CD2 4.18Å; Y309-L342 HydrophobicContact CG-CD2 3.92Å; W326-L342 HydrophobicContact CB-CD2 4.01Å; W328-L342 HydrophobicContact CD2-CD2 3.92Å; W328-L342 HydrophobicContact CD2-CG 4.4Å; W328-L342 HydrophobicContact CE3-CD2 4.41Å; W328-L342 HydrophobicContact CG-CD2 4.32Å; W328-L342 HydrophobicContact CH2-CD2 4.31Å; W328-L342 HydrophobicContact CZ2-CD2 3.83Å; W328-L342 HydrophobicContact CZ2-CG 3.75Å
343	P	89	Confident	83.8	Confident	46 Å²	46	73.6 Å²	73.6	30%	0.299	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59	152.2	172	-22.6	33.1	0	0	0	112.8	Y309 W326	Y309-P343 HydrophobicContact CE2-CG 3.88Å; W326-P343 HydrophobicContact CD2-CB 3.93Å; W326-P343 HydrophobicContact CD2-CG 4.11Å; W326-P343 HydrophobicContact CE3-CB 4.1Å; W326-P343 HydrophobicContact CG-CB 4.33Å; W326-P343 HydrophobicContact CG-CG 4.06Å; W326-P343 HydrophobicContact CZ3-CB 4.49Å
344	E	88.7	Confident	83.4	Confident	184 Å²	184	71.3 Å²	71.3	86%	0.86	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-65.2	148.4	172.2	-68.7	-174.4	176.6	0	0	111.6	W326	W326-E344 WeakPolarHBondContact CZ3-O 3.26Å
345	S	86.7	Confident	82.7	Confident	62 Å²	62	71 Å²	71	43%	0.434	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.8	136.8	-179.4	-57.6	0	0	0	0	111.5	Q323	Q323-S345 VanDerWaalsContact NE2-CB 3.35Å
346	E	87	Confident	81.9	Confident	76 Å²	76	72.1 Å²	72.1	36%	0.355	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-66.9	162.9	176.3	-82.8	168	-149.6	0	0	111.4	Q323 R324 W326	Q323-E346 WeakPolarHBondContact CG-O 3.43Å; Q323-E346 PolarHBondContact NE2-O 3.34Å; R324-E346 HydrophobicContact CB-CB 4.25Å; R324-E346 WeakPolarHBondContact CD-OE1 3.17Å; R324-E346 IonicContact NH1-OE1 3.85Å; R324-E346 PolarHBondContact NH1-OE1 3.35Å; R324-E346 IonicContact NH1-OE2 3.81Å; R324-E346 PolarHBondContact O-N 3.3Å; W326-E346 HydrophobicContact CH2-CG 3.81Å; W326-E346 WeakPolarHBondContact CH2-OE1 3.39Å; W326-E346 HydrophobicContact CZ3-CG 4.38Å
347	S	86.7	Confident	81	Confident	95 Å²	95	69.4 Å²	69.4	66%	0.664	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64.4	140.4	175.5	54.5	0	0	0	0	111.6	V349	S347-V349 PolarHBondContact O-N 2.03Å
348	P	85.2	Confident	80.5	Confident	72 Å²	72	62.1 Å²	62.1	47%	0.468	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-57.8	135.9	178.5	-24.6	34.3	0	0	0	113.1	M321 T322 Q323	M321-P348 HydrophobicContact CB-CB 4.4Å; M321-P348 HydrophobicContact CE-CB 3.79Å; M321-P348 WeakPolarHBondContact CE-O 3.39Å; T322-P348 WeakPolarHBondContact O-CA 3.5Å; Q323-P348 HydrophobicContact CG-CG 4.37Å
349	V	84.4	Confident	79.8	Confident	64 Å²	64	61.1 Å²	61.1	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.5	177.5	-175.5	0	0	0	0	109.2	T322 S347	T322-V349 PolarHBondContact N-O 3.3Å; T322-V349 PolarHBondContact O-N 3.22Å; S347-V349 PolarHBondContact O-N 2.03Å
350	H	80.9	Confident	79	Confident	97 Å²	97	61.8 Å²	61.8	45%	0.449	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.9	177.8	-169.1	64	0	0	0	111.7	E320 M321 H352	E320-H350 CarbonylContact O-C 3.6Å; E320-H350 WeakPolarHBondContact O-CA 3.43Å; E320-H350 PolarHBondContact O-ND1 2.91Å; E320-H350 VanDerWaalsContact O-ND1 3.12Å; E320-H350 IonicContact OE2-CE1 3.92Å; E320-H350 PolarHBondContact OE2-CE1 3.41Å; E320-H350 IonicContact OE2-NE2 3.61Å; M321-H350 HydrophobicContact SD-CB 4.01Å; H350-H352 PolarHBondContact O-N 2.81Å
351	C	74.8	Confident	78.1	Confident	7 Å²	7	63.4 Å²	63.4	5%	0.047	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.7	130.1	178.2	-73.7	0	0	0	0	110.6	C316 E320 Y402	C316-C351 HydrophobicContact CB-CB 4.21Å; C316-C351 WeakPolarHBondContact CB-SG 3.16Å; C316-C351 WeakPolarHBondContact SG-CB 3.32Å; C316-C351 CovalentContact SG-SG 2.04Å; C316-C351 PolarHBondContact SG-SG 3.04Å; E320-C351 HydrophobicContact CB-CB 4.48Å; E320-C351 WeakPolarHBondContact O-CB 3.43Å; E320-C351 PolarHBondContact O-N 3.08Å; C351-Y402 HydrophobicContact CB-CD1 4.36Å
352	H	70.3	Confident	76.9	Confident	97 Å²	97	64.8 Å²	64.8	45%	0.449	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-71.6	153.5	169.5	-72.7	-177.9	0	0	0	110.9	H350 N400 Y402	H350-H352 PolarHBondContact O-N 2.81Å; H352-N400 WeakPolarHBondContact CB-ND2 3.34Å; H352-Y402 HydrophobicContact CB-CD1 3.9Å; H352-Y402 HydrophobicContact CB-CD2 3.74Å; H352-Y402 HydrophobicContact CB-CE1 3.71Å; H352-Y402 HydrophobicContact CB-CE2 3.52Å; H352-Y402 HydrophobicContact CB-CG 3.89Å; H352-Y402 AromaticContact CD2-CZ 3.78Å; H352-Y402 PolarHBondContact CD2-OH 2.85Å; H352-Y402 AromaticContact CE1-CZ 3.94Å; H352-Y402 PolarHBondContact CE1-OH 3.38Å; H352-Y402 VanDerWaalsContact CE1-OH 3.23Å; H352-Y402 AromaticContact CG-CE1 3.79Å; H352-Y402 AromaticContact CG-CE2 3.53Å; H352-Y402 AromaticContact CG-CZ 3.25Å; H352-Y402 VanDerWaalsContact CG-OH 3.31Å; H352-Y402 AromaticContact ND1-CE2 3.39Å; H352-Y402 WeakPolarHBondContact ND1-CE2 3.25Å; H352-Y402 AromaticContact ND1-CZ 3.38Å; H352-Y402 PolarHBondContact ND1-OH 3.38Å; H352-Y402 VanDerWaalsContact ND1-OH 3.15Å; H352-Y402 PolarHBondContact NE2-OH 2.86Å
353	K	70.2	Confident	75.7	Confident	131 Å²	131	63.7 Å²	63.7	57%	0.57	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-67.1	148.4	-177.7	-68.7	143.9	159.2	-163.5	0	111.9	L380 N400	K353-L380 HydrophobicContact CB-CD2 4.05Å; K353-L380 HydrophobicContact CD-CD2 3.42Å; K353-L380 VanDerWaalsContact CD-CD2 3.42Å; K353-L380 HydrophobicContact CG-CD2 3.85Å; K353-N400 PolarHBondContact O-ND2 3.02Å
354	C	73	Confident	74.8	Confident	12 Å²	12	64.2 Å²	64.2	8%	0.081	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-50	146.8	174.6	-82.3	0	0	0	0	112.8	T358 C366 K375	C354-T358 WeakPolarHBondContact CB-OG1 3.39Å; C354-C366 HydrophobicContact CB-CB 4Å; C354-C366 WeakPolarHBondContact CB-SG 3.32Å; C354-C366 WeakPolarHBondContact SG-CB 3.28Å; C354-C366 CovalentContact SG-SG 2.05Å; C354-C366 PolarHBondContact SG-SG 3.37Å; C354-K375 PolarHBondContact O-NZ 3.43Å
355	P	72.1	Confident	74.1	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.026	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-49.8	159	175.6	-25.4	31.9	0	0	0	114	G357 T358 N400	P355-G357 PolarHBondContact O-N 2.94Å; P355-T358 WeakPolarHBondContact CD-OG1 3.44Å; P355-T358 PolarHBondContact O-N 2.82Å; P355-T358 PolarHBondContact O-OG1 2.92Å; P355-N400 HydrophobicContact CG-CB 4.19Å; P355-N400 WeakPolarHBondContact CG-O 3.49Å
356	T	70.1	Confident	73.7	Confident	67 Å²	67	54.5 Å²	54.5	41%	0.411	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	133	178.5	-56.3	0	0	0	0	111.1	I562	T356-I562 WeakPolarHBondContact CG2-O 3.33Å
357	G	67.1	Low	73.3	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	0.5	-176.6	0	0	0	0	0	115.1	P355 C369 N560	P355-G357 PolarHBondContact O-N 2.94Å; G357-C369 PolarHBondContact O-N 2.81Å; G357-N560 VanDerWaalsContact C-ND2 3.27Å; G357-N560 WeakPolarHBondContact CA-ND2 3.29Å; G357-N560 PolarHBondContact O-ND2 3.07Å; G357-N560 PolarHBondContact O-OD1 3.4Å
358	T	72.2	Confident	72.7	Confident	2 Å²	2	52 Å²	52	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.6	178.5	65	0	0	0	0	112.8	C354 P355 C366 E367 L368 K375	C354-T358 WeakPolarHBondContact CB-OG1 3.39Å; P355-T358 WeakPolarHBondContact CD-OG1 3.44Å; P355-T358 PolarHBondContact O-N 2.82Å; P355-T358 PolarHBondContact O-OG1 2.92Å; T358-C366 HydrophobicContact CG2-CB 4.44Å; T358-E367 CarbonylContact C-O 3.43Å; T358-E367 WeakPolarHBondContact CA-O 2.75Å; T358-E367 WeakPolarHBondContact CB-O 3.32Å; T358-L368 HydrophobicContact CG2-CD2 3.92Å; T358-K375 PolarHBondContact O-NZ 2.83Å; T358-K375 VanDerWaalsContact O-NZ 3.08Å
359	F	69.5	Low	72	Confident	50 Å²	50	48.9 Å²	48.9	22%	0.219	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.6	177.1	70.4	-88.3	0	0	0	111.8	L361 C366 E367 L368	F359-L361 PolarHBondContact O-N 3.33Å; F359-C366 CarbonylContact O-C 3.55Å; F359-C366 WeakPolarHBondContact O-CA 3.47Å; F359-E367 HydrophobicContact CD1-CB 4.5Å; F359-E367 HydrophobicContact CE1-CB 3.95Å; F359-E367 HydrophobicContact CE1-CG 3.98Å; F359-E367 HydrophobicContact CE2-CB 4.2Å; F359-E367 HydrophobicContact CZ-CB 3.79Å; F359-E367 HydrophobicContact CZ-CG 3.87Å; F359-E367 WeakPolarHBondContact CZ-OE2 3.35Å; F359-E367 PolarHBondContact N-O 2.78Å; F359-E367 PolarHBondContact O-N 3.24Å; F359-L368 WeakPolarHBondContact CE1-O 3.24Å
360	P	68.4	Low	71.3	Confident	46 Å²	46	49.9 Å²	49.9	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	114.9	171	-30.7	40.2	0	0	0	112.7
361	L	67.8	Low	70.5	Confident	85 Å²	85	50.6 Å²	50.6	45%	0.445	28%	0.278	S	S	.	.	S	Bend	trans	-83.6	-50.6	161.5	-172.9	64.6	0	0	0	109.5	F359 T365 E367	F359-L361 PolarHBondContact O-N 3.33Å; L361-T365 PolarHBondContact N-O 3.45Å; L361-T365 VanDerWaalsContact N-O 3.12Å; L361-E367 HydrophobicContact CB-CB 4.06Å; L361-E367 HydrophobicContact CD1-CB 4.48Å; L361-E367 VanDerWaalsContact CD1-OE2 3.31Å; L361-E367 WeakPolarHBondContact CD1-OE2 3.25Å
362	D	63.4	Low	69.8	Low	105 Å²	105	51.2 Å²	51.2	56%	0.561	29%	0.285	S	S	*	.	S	Bend	trans	-140	-177.6	-179.9	-69	-43.2	0	0	0	110.2	N364 T365 R403	D362-N364 PolarHBondContact O-N 3.07Å; D362-N364 VanDerWaalsContact O-N 3.1Å; D362-T365 PolarHBondContact N-O 3.45Å; D362-R403 PolarHBondContact O-NH1 3.32Å
363	G	62.5	Low	69.5	Low	34 Å²	34	50 Å²	50	35%	0.351	28%	0.281	S	S	.	.	S	Bend	trans	-58	-20.1	173.9	0	0	0	0	0	115	C316 R403	C316-G363 WeakPolarHBondContact CB-O 3.42Å; G363-R403 PolarHBondContact O-NE 3.07Å
364	N	70.4	Confident	69.2	Low	57 Å²	57	45.9 Å²	45.9	31%	0.305	26%	0.263	S	S	.	.	S	Bend	trans	-118.7	-19.9	-174.3	-82.3	-22.3	0	0	0	116.2	S315 D362 R403 M404	S315-N364 WeakPolarHBondContact CA-OD1 3.44Å; S315-N364 WeakPolarHBondContact CB-ND2 3.49Å; S315-N364 WeakPolarHBondContact CB-OD1 3.3Å; S315-N364 PolarHBondContact OG-ND2 3.45Å; S315-N364 PolarHBondContact OG-OD1 3.11Å; D362-N364 PolarHBondContact O-N 3.07Å; D362-N364 VanDerWaalsContact O-N 3.1Å; N364-R403 CarbonylContact O-C 3.53Å; N364-R403 WeakPolarHBondContact O-CA 3.16Å; N364-R403 VanDerWaalsContact O-CB 3.31Å; N364-R403 WeakPolarHBondContact O-CB 3.35Å; N364-M404 PolarHBondContact O-N 3Å
365	T	74	Confident	68.5	Low	42 Å²	42	46.8 Å²	46.8	26%	0.258	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.4	-169.1	-49	0	0	0	0	110	L361 D362 M404	L361-T365 PolarHBondContact N-O 3.45Å; L361-T365 VanDerWaalsContact N-O 3.12Å; D362-T365 PolarHBondContact N-O 3.45Å; T365-M404 WeakPolarHBondContact CA-O 3.34Å; T365-M404 WeakPolarHBondContact CG2-O 3.5Å
366	C	77.1	Confident	67.7	Low	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.5	169.3	-58.5	0	0	0	0	109.5	C354 T358 F359 R403 M404 S406	C354-C366 HydrophobicContact CB-CB 4Å; C354-C366 WeakPolarHBondContact CB-SG 3.32Å; C354-C366 WeakPolarHBondContact SG-CB 3.28Å; C354-C366 CovalentContact SG-SG 2.05Å; C354-C366 PolarHBondContact SG-SG 3.37Å; T358-C366 HydrophobicContact CG2-CB 4.44Å; F359-C366 CarbonylContact O-C 3.55Å; F359-C366 WeakPolarHBondContact O-CA 3.47Å; C366-R403 WeakPolarHBondContact SG-CB 3.26Å; C366-M404 PolarHBondContact N-O 3.27Å; C366-M404 VanDerWaalsContact N-O 3.12Å; C366-S406 PolarHBondContact O-N 3.05Å
367	E	79	Confident	67.1	Low	80 Å²	80	54.3 Å²	54.3	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	151.7	172.5	-175.7	169.7	-145.5	0	0	110.6	T358 F359 L361	T358-E367 CarbonylContact C-O 3.43Å; T358-E367 WeakPolarHBondContact CA-O 2.75Å; T358-E367 WeakPolarHBondContact CB-O 3.32Å; F359-E367 HydrophobicContact CD1-CB 4.5Å; F359-E367 HydrophobicContact CE1-CB 3.95Å; F359-E367 HydrophobicContact CE1-CG 3.98Å; F359-E367 HydrophobicContact CE2-CB 4.2Å; F359-E367 HydrophobicContact CZ-CB 3.79Å; F359-E367 HydrophobicContact CZ-CG 3.87Å; F359-E367 WeakPolarHBondContact CZ-OE2 3.35Å; F359-E367 PolarHBondContact N-O 2.78Å; F359-E367 PolarHBondContact O-N 3.24Å; L361-E367 HydrophobicContact CB-CB 4.06Å; L361-E367 HydrophobicContact CD1-CB 4.48Å; L361-E367 VanDerWaalsContact CD1-OE2 3.31Å; L361-E367 WeakPolarHBondContact CD1-OE2 3.25Å
368	L	74.2	Confident	66.5	Low	39 Å²	39	59 Å²	59	20%	0.204	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.2	178.2	-63	161.8	0	0	0	110	T358 F359 L396 I407 N560	T358-L368 HydrophobicContact CG2-CD2 3.92Å; F359-L368 WeakPolarHBondContact CE1-O 3.24Å; L368-L396 HydrophobicContact CD2-CD2 3.92Å; L368-I407 HydrophobicContact CD1-CB 4.37Å; L368-I407 HydrophobicContact CD1-CD1 4.42Å; L368-N560 HydrophobicContact CB-CB 4.32Å; L368-N560 HydrophobicContact CD2-CB 3.77Å; L368-N560 WeakPolarHBondContact CD2-ND2 3.31Å
369	C	71.2	Confident	65.8	Low	6 Å²	6	62.6 Å²	62.6	4%	0.041	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-61.5	148.5	168.7	-76.9	0	0	0	0	110.9	G357 M373 C383	G357-C369 PolarHBondContact O-N 2.81Å; C369-M373 HydrophobicContact CB-CB 4.49Å; C369-M373 WeakPolarHBondContact CB-O 3.31Å; C369-C383 VanDerWaalsContact CA-SG 3.58Å; C369-C383 HydrophobicContact CB-CB 3.88Å; C369-C383 WeakPolarHBondContact CB-SG 3.43Å; C369-C383 WeakPolarHBondContact SG-CB 3.46Å; C369-C383 CovalentContact SG-SG 2.05Å; C369-C383 PolarHBondContact SG-SG 3.29Å
370	S	68.9	Low	65.1	Low	85 Å²	85	62.9 Å²	62.9	59%	0.594	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-61.5	156.6	175.1	-52.7	0	0	0	0	112.5	G372 M373	S370-G372 PolarHBondContact O-N 3.03Å; S370-M373 PolarHBondContact O-N 3.5Å; S370-M373 VanDerWaalsContact O-N 3.08Å
371	I	65.2	Low	64.7	Low	112 Å²	112	67.5 Å²	67.5	57%	0.574	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	127.9	-176.7	-58.2	170.7	0	0	0	111.4	M373 Y394	I371-M373 VanDerWaalsContact C-N 3.35Å; I371-Y394 HydrophobicContact CG2-CE1 4.49Å
372	G	59.5	Low	64.5	Low	20 Å²	20	65 Å²	65	21%	0.206	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	3.6	177.4	0	0	0	0	0	115.8	S370	S370-G372 PolarHBondContact O-N 3.03Å
373	M	64.2	Low	64.8	Low	71 Å²	71	61.9 Å²	61.9	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.8	177.1	-54.7	-172.8	179.4	0	0	111.6	C369 S370 I371 C383 V384 T385	C369-M373 HydrophobicContact CB-CB 4.49Å; C369-M373 WeakPolarHBondContact CB-O 3.31Å; S370-M373 PolarHBondContact O-N 3.5Å; S370-M373 VanDerWaalsContact O-N 3.08Å; I371-M373 VanDerWaalsContact C-N 3.35Å; M373-C383 HydrophobicContact CB-CB 3.86Å; M373-C383 HydrophobicContact SD-CB 4.27Å; M373-V384 CarbonylContact C-O 3.55Å; M373-V384 WeakPolarHBondContact CA-O 3.29Å; M373-T385 HydrophobicContact CE-CG2 4.48Å; M373-T385 HydrophobicContact CG-CG2 4.11Å
374	K	63	Low	65.2	Low	46 Å²	46	62.3 Å²	62.3	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	167.8	171.8	64.7	158.4	174.4	-175.1	0	111.5	C383 V384 T561 C564	K374-C383 CarbonylContact O-C 3.59Å; K374-C383 VanDerWaalsContact O-CA 3.28Å; K374-C383 WeakPolarHBondContact O-CA 3.42Å; K374-V384 HydrophobicContact CG-CG2 4.17Å; K374-V384 WeakPolarHBondContact CG-O 3.15Å; K374-V384 PolarHBondContact N-O 3.44Å; K374-V384 PolarHBondContact O-N 3.02Å; K374-V384 VanDerWaalsContact O-O 3.09Å; K374-T561 HydrophobicContact CB-CG2 4.13Å; K374-C564 WeakPolarHBondContact CD-SG 3.45Å; K374-C564 WeakPolarHBondContact CE-SG 3.28Å; K374-C564 PolarHBondContact NZ-SG 2.8Å
375	K	58.5	Low	65.4	Low	31 Å²	31	64 Å²	64	14%	0.135	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.3	171.4	-164.9	173.1	-168.9	155.2	0	112	C354 T358 L380	C354-K375 PolarHBondContact O-NZ 3.43Å; T358-K375 PolarHBondContact O-NZ 2.83Å; T358-K375 VanDerWaalsContact O-NZ 3.08Å; K375-L380 WeakPolarHBondContact CE-O 3.39Å
376	H	55.8	Low	65.5	Low	68 Å²	68	62.9 Å²	62.9	32%	0.315	35%	0.352	S	S	.	.			trans	-73.1	134.8	175.5	-174.1	-103.6	0	0	0	111.3	S378 N379 A382 V384	H376-S378 VanDerWaalsContact C-N 3.3Å; H376-S378 PolarHBondContact CE1-OG 2.84Å; H376-S378 PolarHBondContact ND1-N 3.07Å; H376-S378 PolarHBondContact O-N 2.99Å; H376-N379 WeakPolarHBondContact CB-O 3.45Å; H376-N379 WeakPolarHBondContact ND1-CB 3.36Å; H376-N379 PolarHBondContact ND1-N 3.34Å; H376-A382 HydrophobicContact CB-CB 4.41Å; H376-A382 WeakPolarHBondContact CB-O 3.5Å; H376-A382 PolarHBondContact N-O 3.31Å; H376-V384 HydrophobicContact CB-CB 4.41Å; H376-V384 HydrophobicContact CB-CG1 3.78Å; H376-V384 HydrophobicContact CB-CG2 3.76Å
377	L	58	Low	65.6	Low	160 Å²	160	65.5 Å²	65.5	84%	0.838	37%	0.369	S	S	*	.	S	Bend	trans	-64.7	-33.3	-173.3	-130.2	76.7	0	0	0	112.9
378	S	54.6	Low	65.4	Low	100 Å²	100	68.8 Å²	68.8	70%	0.699	40%	0.395	S	S	*	.	S	Bend	trans	-102	-27.1	-174.1	0.5	0	0	0	0	113.9	H376	H376-S378 VanDerWaalsContact C-N 3.3Å; H376-S378 PolarHBondContact CE1-OG 2.84Å; H376-S378 PolarHBondContact ND1-N 3.07Å; H376-S378 PolarHBondContact O-N 2.99Å
379	N	56.9	Low	65.5	Low	78 Å²	78	71.6 Å²	71.6	42%	0.417	41%	0.41	S	S	.	.			trans	-120	96.7	178.3	-177.7	0.8	0	0	0	107.3	H376 E381 A382	H376-N379 WeakPolarHBondContact CB-O 3.45Å; H376-N379 WeakPolarHBondContact ND1-CB 3.36Å; H376-N379 PolarHBondContact ND1-N 3.34Å; N379-E381 PolarHBondContact O-N 3.47Å; N379-E381 VanDerWaalsContact O-N 3.07Å; N379-E381 PolarHBondContact OD1-N 2.89Å; N379-A382 PolarHBondContact O-N 2.98Å
380	L	55.4	Low	66.1	Low	55 Å²	55	73.9 Å²	73.9	29%	0.288	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	2.2	-171.3	-73.5	96.7	0	0	0	114.3	K353 K375	K353-L380 HydrophobicContact CB-CD2 4.05Å; K353-L380 HydrophobicContact CD-CD2 3.42Å; K353-L380 VanDerWaalsContact CD-CD2 3.42Å; K353-L380 HydrophobicContact CG-CD2 3.85Å; K375-L380 WeakPolarHBondContact CE-O 3.39Å
381	E	58.9	Low	66.6	Low	144 Å²	144	70.3 Å²	70.3	67%	0.673	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-5.3	175.8	-65.6	-178.9	163.3	0	0	113.4	N379	N379-E381 PolarHBondContact O-N 3.47Å; N379-E381 VanDerWaalsContact O-N 3.07Å; N379-E381 PolarHBondContact OD1-N 2.89Å
382	A	63.1	Low	67.3	Low	32 Å²	32	66.1 Å²	66.1	26%	0.264	38%	0.375	S	S	.	.			trans	-112.2	133.7	-175.4	0	0	0	0	0	112.8	H376 N379	H376-A382 HydrophobicContact CB-CB 4.41Å; H376-A382 WeakPolarHBondContact CB-O 3.5Å; H376-A382 PolarHBondContact N-O 3.31Å; N379-A382 PolarHBondContact O-N 2.98Å
383	C	69.9	Low	68.3	Low	39 Å²	39	68.5 Å²	68.5	26%	0.264	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.1	164	-55.9	0	0	0	0	109.2	C369 M373 K374	C369-C383 VanDerWaalsContact CA-SG 3.58Å; C369-C383 HydrophobicContact CB-CB 3.88Å; C369-C383 WeakPolarHBondContact CB-SG 3.43Å; C369-C383 WeakPolarHBondContact SG-CB 3.46Å; C369-C383 CovalentContact SG-SG 2.05Å; C369-C383 PolarHBondContact SG-SG 3.29Å; M373-C383 HydrophobicContact CB-CB 3.86Å; M373-C383 HydrophobicContact SD-CB 4.27Å; K374-C383 CarbonylContact O-C 3.59Å; K374-C383 VanDerWaalsContact O-CA 3.28Å; K374-C383 WeakPolarHBondContact O-CA 3.42Å
384	V	71	Confident	69.2	Low	43 Å²	43	68.3 Å²	68.3	26%	0.261	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	179.5	-68.6	0	0	0	0	110.3	M373 K374 H376	M373-V384 CarbonylContact C-O 3.55Å; M373-V384 WeakPolarHBondContact CA-O 3.29Å; K374-V384 HydrophobicContact CG-CG2 4.17Å; K374-V384 WeakPolarHBondContact CG-O 3.15Å; K374-V384 PolarHBondContact N-O 3.44Å; K374-V384 PolarHBondContact O-N 3.02Å; K374-V384 VanDerWaalsContact O-O 3.09Å; H376-V384 HydrophobicContact CB-CB 4.41Å; H376-V384 HydrophobicContact CB-CG1 3.78Å; H376-V384 HydrophobicContact CB-CG2 3.76Å
385	T	74.3	Confident	70.4	Confident	93 Å²	93	66.1 Å²	66.1	57%	0.571	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	157.7	174.3	53.8	0	0	0	0	111.1	M373	M373-T385 HydrophobicContact CE-CG2 4.48Å; M373-T385 HydrophobicContact CG-CG2 4.11Å
386	C	76.6	Confident	71.9	Confident	18 Å²	18	64.7 Å²	64.7	12%	0.122	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-59.4	148.4	169.9	-70.1	0	0	0	0	110.9	E390 C564	C386-E390 HydrophobicContact CB-CB 4.3Å; C386-C564 WeakPolarHBondContact CA-SG 3.27Å; C386-C564 HydrophobicContact CB-CB 3.96Å; C386-C564 WeakPolarHBondContact CB-SG 3.45Å; C386-C564 WeakPolarHBondContact SG-CB 3.42Å; C386-C564 CovalentContact SG-SG 2.04Å; C386-C564 PolarHBondContact SG-SG 3Å
387	P	79.4	Confident	73.4	Confident	56 Å²	56	65.3 Å²	65.3	36%	0.364	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-52.6	155.1	170.2	-24.6	34	0	0	0	111.8	N389 E390	P387-N389 WeakPolarHBondContact CB-OD1 3.16Å; P387-N389 PolarHBondContact O-N 3.05Å; P387-E390 WeakPolarHBondContact CD-OE2 3.45Å; P387-E390 PolarHBondContact O-N 3.34Å
388	T	74.3	Confident	74.9	Confident	148 Å²	148	57.8 Å²	57.8	91%	0.908	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.8	-175.7	44.5	0	0	0	0	115.2
389	N	76.9	Confident	76.3	Confident	98 Å²	98	55.5 Å²	55.5	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	3.7	178.4	65.2	-53.1	0	0	0	114.1	P387 I571	P387-N389 WeakPolarHBondContact CB-OD1 3.16Å; P387-N389 PolarHBondContact O-N 3.05Å; N389-I571 VanDerWaalsContact C-CD1 3.41Å
390	E	83.5	Confident	77.4	Confident	54 Å²	54	52.8 Å²	52.8	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.2	-177.1	-64.3	175.6	-177.4	0	0	111.6	C386 P387 C564 Q565 T566	C386-E390 HydrophobicContact CB-CB 4.3Å; P387-E390 WeakPolarHBondContact CD-OE2 3.45Å; P387-E390 PolarHBondContact O-N 3.34Å; E390-C564 HydrophobicContact CB-CB 3.9Å; E390-C564 HydrophobicContact CG-CB 4.5Å; E390-C564 WeakPolarHBondContact OE2-CB 3.3Å; E390-Q565 CarbonylContact C-O 3.55Å; E390-Q565 WeakPolarHBondContact CA-O 3.44Å; E390-T566 HydrophobicContact CG-CG2 3.9Å
391	V	80.1	Confident	78.7	Confident	10 Å²	10	50.1 Å²	50.1	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151.3	173.6	-64	0	0	0	0	111.1	C564 Q565 C567 I571 C576	V391-C564 WeakPolarHBondContact O-CA 3.48Å; V391-Q565 HydrophobicContact CG2-CG 3.6Å; V391-Q565 PolarHBondContact N-O 3.47Å; V391-Q565 PolarHBondContact O-N 3.32Å; V391-C567 WeakPolarHBondContact CG1-SG 3.4Å; V391-I571 HydrophobicContact CG1-CD1 3.79Å; V391-I571 HydrophobicContact CG1-CG1 3.89Å; V391-I571 HydrophobicContact CG1-CG2 4.36Å; V391-C576 WeakPolarHBondContact CG2-SG 3.47Å
392	P	78.7	Confident	79.4	Confident	24 Å²	24	44.2 Å²	44.2	16%	0.156	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.2	177	26.4	-34.5	0	0	0	112.3	Y394 T561	P392-Y394 HydrophobicContact CB-CE2 4.37Å; P392-Y394 HydrophobicContact CG-CE1 4.47Å; P392-Y394 HydrophobicContact CG-CE2 3.94Å; P392-Y394 WeakPolarHBondContact CG-OH 3.36Å; P392-T561 HydrophobicContact CB-CG2 3.46Å; P392-T561 VanDerWaalsContact CB-CG2 3.46Å
393	M	80.2	Confident	80.1	Confident	71 Å²	71	43.6 Å²	43.6	35%	0.35	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.6	166.6	-66.9	-179.9	72.4	0	0	109.6	T561 I562 G563 Q565	M393-T561 CarbonylContact O-C 3.56Å; M393-T561 VanDerWaalsContact O-CA 3.29Å; M393-T561 WeakPolarHBondContact O-CA 3.1Å; M393-I562 HydrophobicContact CB-CG1 4.12Å; M393-I562 WeakPolarHBondContact O-CG1 3.31Å; M393-I562 PolarHBondContact O-N 3.05Å; M393-G563 PolarHBondContact N-O 2.83Å; M393-Q565 HydrophobicContact CG-CB 3.76Å; M393-Q565 HydrophobicContact CG-CG 3.63Å; M393-Q565 HydrophobicContact SD-CB 3.96Å; M393-Q565 HydrophobicContact SD-CG 4.45Å
394	Y	84.2	Confident	80.6	Confident	66 Å²	66	43 Å²	43	26%	0.259	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.7	179.9	-60.4	-81.5	0	0	0	111.6	I371 P392 I453 N555 V556 D559 N560	I371-Y394 HydrophobicContact CG2-CE1 4.49Å; P392-Y394 HydrophobicContact CB-CE2 4.37Å; P392-Y394 HydrophobicContact CG-CE1 4.47Å; P392-Y394 HydrophobicContact CG-CE2 3.94Å; P392-Y394 WeakPolarHBondContact CG-OH 3.36Å; Y394-I453 HydrophobicContact CD2-CD1 3.58Å; Y394-I453 HydrophobicContact CE2-CD1 4.48Å; Y394-I453 HydrophobicContact CG-CD1 3.92Å; Y394-N555 WeakPolarHBondContact O-CA 3.06Å; Y394-N555 PolarHBondContact O-N 2.95Å; Y394-V556 WeakPolarHBondContact CB-O 3.27Å; Y394-D559 WeakPolarHBondContact CD1-O 3.4Å; Y394-N560 WeakPolarHBondContact CA-O 3.39Å
395	G	88.1	Confident	81.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-173.5	179.4	0	0	0	0	0	113.2	V553 N560 I562	G395-V553 CarbonylContact C-O 3.54Å; G395-V553 WeakPolarHBondContact CA-O 3.21Å; G395-N560 PolarHBondContact N-O 3Å; G395-N560 VanDerWaalsContact O-O 3.05Å; G395-I562 VanDerWaalsContact C-CG2 3.46Å; G395-I562 WeakPolarHBondContact O-CG2 3.06Å
396	L	89.2	Confident	81.4	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.9	178.5	-58.4	172	0	0	0	108.7	L368 F398 I407 L446 I448 E552 V553 N560	L368-L396 HydrophobicContact CD2-CD2 3.92Å; L396-F398 HydrophobicContact CB-CE2 3.96Å; L396-F398 HydrophobicContact CB-CZ 3.93Å; L396-F398 HydrophobicContact CD1-CE2 4.48Å; L396-F398 HydrophobicContact CD1-CZ 4.38Å; L396-F398 HydrophobicContact CD2-CZ 4.32Å; L396-F398 HydrophobicContact CG-CZ 4.45Å; L396-I407 HydrophobicContact CD1-CD1 4.02Å; L396-L446 HydrophobicContact CD1-CD1 3.91Å; L396-L446 HydrophobicContact CD1-CD2 4.43Å; L396-I448 HydrophobicContact CD1-CD1 3.91Å; L396-E552 CarbonylContact O-C 3.51Å; L396-E552 VanDerWaalsContact O-CA 3.31Å; L396-E552 WeakPolarHBondContact O-CA 3.48Å; L396-V553 HydrophobicContact CB-CB 4.21Å; L396-V553 HydrophobicContact CB-CG2 4.5Å; L396-V553 PolarHBondContact N-O 3.3Å; L396-V553 PolarHBondContact O-N 3.36Å; L396-N560 HydrophobicContact CD2-CB 4.21Å
397	R	88.2	Confident	81.9	Confident	81 Å²	81	40.3 Å²	40.3	31%	0.306	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	117.3	175.8	-178	178.1	169.7	122.9	-1.3	110.4	D399 E552 I562	R397-D399 IonicContact CZ-OD2 3.81Å; R397-D399 IonicContact NE-OD2 3.41Å; R397-D399 PolarHBondContact NE-OD2 2.68Å; R397-D399 IonicContact NH2-OD2 3.46Å; R397-D399 PolarHBondContact NH2-OD2 3.45Å; R397-E552 IonicContact NH1-OE1 2.77Å; R397-E552 PolarHBondContact NH1-OE1 2.78Å; R397-I562 HydrophobicContact CB-CG2 4.15Å
398	F	88.2	Confident	82.4	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	98.4	179.6	-48.7	-59	0	0	0	108.5	L396 W401 P405 I407 L408 L446 Q550 I551	L396-F398 HydrophobicContact CB-CE2 3.96Å; L396-F398 HydrophobicContact CB-CZ 3.93Å; L396-F398 HydrophobicContact CD1-CE2 4.48Å; L396-F398 HydrophobicContact CD1-CZ 4.38Å; L396-F398 HydrophobicContact CD2-CZ 4.32Å; L396-F398 HydrophobicContact CG-CZ 4.45Å; F398-W401 HydrophobicContact CB-CH2 4.14Å; F398-W401 HydrophobicContact CB-CZ2 4.34Å; F398-P405 HydrophobicContact CD1-CB 3.85Å; F398-P405 HydrophobicContact CD1-CG 3.29Å; F398-P405 HydrophobicContact CE1-CB 3.46Å; F398-P405 VanDerWaalsContact CE1-CB 3.46Å; F398-P405 HydrophobicContact CE1-CG 3.5Å; F398-P405 HydrophobicContact CG-CG 4.03Å; F398-P405 HydrophobicContact CZ-CB 4.1Å; F398-P405 HydrophobicContact CZ-CG 4.36Å; F398-I407 HydrophobicContact CE1-CG2 4.36Å; F398-I407 HydrophobicContact CE2-CG2 4.44Å; F398-I407 HydrophobicContact CZ-CG2 3.63Å; F398-L408 HydrophobicContact CD2-CD1 3.92Å; F398-L408 HydrophobicContact CD2-CG 4.43Å; F398-L408 HydrophobicContact CE2-CD1 4.12Å; F398-L408 HydrophobicContact CE2-CD2 4.27Å; F398-L408 HydrophobicContact CE2-CG 4.13Å; F398-L408 HydrophobicContact CG-CD1 4.19Å; F398-L408 HydrophobicContact CZ-CG 4.45Å; F398-L446 HydrophobicContact CE2-CD1 4.35Å; F398-Q550 CarbonylContact O-C 3.44Å; F398-Q550 WeakPolarHBondContact O-CA 3.49Å; F398-Q550 WeakPolarHBondContact O-CG 3.15Å; F398-I551 HydrophobicContact CB-CB 4.43Å; F398-I551 HydrophobicContact CD2-CB 4.04Å; F398-I551 HydrophobicContact CD2-CG2 4.14Å; F398-I551 PolarHBondContact N-O 3.11Å; F398-I551 PolarHBondContact O-N 2.94Å
399	D	85.2	Confident	83	Confident	53 Å²	53	36.8 Å²	36.8	28%	0.283	18%	0.181	S	C	.	.			trans	-121.3	6.5	180	53.8	6.8	0	0	0	112.8	R397 Q550	R397-D399 IonicContact CZ-OD2 3.81Å; R397-D399 IonicContact NE-OD2 3.41Å; R397-D399 PolarHBondContact NE-OD2 2.68Å; R397-D399 IonicContact NH2-OD2 3.46Å; R397-D399 PolarHBondContact NH2-OD2 3.45Å; D399-Q550 HydrophobicContact CB-CG 4.03Å
400	N	79.5	Confident	83.6	Confident	20 Å²	20	35.8 Å²	35.8	11%	0.107	18%	0.175	C	C	.	.			trans	-144.1	130.6	-179.7	173.1	-19.5	0	0	0	108.5	H352 K353 P355 Y402	H352-N400 WeakPolarHBondContact CB-ND2 3.34Å; K353-N400 PolarHBondContact O-ND2 3.02Å; P355-N400 HydrophobicContact CG-CB 4.19Å; P355-N400 WeakPolarHBondContact CG-O 3.49Å; N400-Y402 WeakPolarHBondContact OD1-CB 2.9Å; N400-Y402 WeakPolarHBondContact OD1-CD2 3.14Å; N400-Y402 PolarHBondContact OD1-N 2.03Å
401	W	82.2	Confident	83.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.			trans	-113.9	15.4	-174	-55.7	94.2	0	0	0	113.4	F398 R403 M404 L408 R425 L427 L429 L430 I548 Y549 I551	F398-W401 HydrophobicContact CB-CH2 4.14Å; F398-W401 HydrophobicContact CB-CZ2 4.34Å; W401-R403 PolarHBondContact O-N 3.01Å; W401-M404 HydrophobicContact CE3-SD 4.33Å; W401-M404 HydrophobicContact CZ3-CE 4.26Å; W401-M404 HydrophobicContact CZ3-SD 4.41Å; W401-L408 HydrophobicContact CH2-CD1 3.97Å; W401-L408 HydrophobicContact CZ3-CD1 3.69Å; W401-R425 WeakPolarHBondContact O-CD 3.24Å; W401-L427 CarbonylContact C-O 3.57Å; W401-L427 WeakPolarHBondContact CA-O 3.36Å; W401-L427 PolarHBondContact N-O 3.33Å; W401-L429 VanDerWaalsContact CD1-C 3.44Å; W401-L430 HydrophobicContact CD2-CB 3.61Å; W401-L430 HydrophobicContact CE3-CB 3.78Å; W401-L430 HydrophobicContact CE3-CD1 4.47Å; W401-L430 HydrophobicContact CE3-CD2 4.08Å; W401-L430 HydrophobicContact CE3-CG 4.33Å; W401-L430 HydrophobicContact CG-CB 3.99Å; W401-L430 HydrophobicContact CH2-CB 4.43Å; W401-L430 HydrophobicContact CH2-CD2 4.14Å; W401-L430 HydrophobicContact CZ2-CB 4.3Å; W401-L430 HydrophobicContact CZ3-CB 4.19Å; W401-L430 HydrophobicContact CZ3-CD2 3.78Å; W401-I548 HydrophobicContact CZ2-CG2 3.9Å; W401-I548 PolarHBondContact NE1-O 3.04Å; W401-Y549 PolarHBondContact NE1-O 3.38Å; W401-I551 HydrophobicContact CH2-CD1 4Å; W401-I551 HydrophobicContact CH2-CG1 4.33Å; W401-I551 HydrophobicContact CZ2-CD1 4.48Å; W401-I551 HydrophobicContact CZ2-CG1 4.38Å
402	Y	75.5	Confident	83.7	Confident	20 Å²	20	37.7 Å²	37.7	8%	0.078	19%	0.188	C	C	.	.	S	Bend	trans	-60.7	-29.8	175.5	-79.1	-114.5	0	0	0	111.9	T322 C351 H352 N400 R425 L427	T322-Y402 HydrophobicContact CG2-CE1 4.48Å; C351-Y402 HydrophobicContact CB-CD1 4.36Å; H352-Y402 HydrophobicContact CB-CD1 3.9Å; H352-Y402 HydrophobicContact CB-CD2 3.74Å; H352-Y402 HydrophobicContact CB-CE1 3.71Å; H352-Y402 HydrophobicContact CB-CE2 3.52Å; H352-Y402 HydrophobicContact CB-CG 3.89Å; H352-Y402 AromaticContact CD2-CZ 3.78Å; H352-Y402 PolarHBondContact CD2-OH 2.85Å; H352-Y402 AromaticContact CE1-CZ 3.94Å; H352-Y402 PolarHBondContact CE1-OH 3.38Å; H352-Y402 VanDerWaalsContact CE1-OH 3.23Å; H352-Y402 AromaticContact CG-CE1 3.79Å; H352-Y402 AromaticContact CG-CE2 3.53Å; H352-Y402 AromaticContact CG-CZ 3.25Å; H352-Y402 VanDerWaalsContact CG-OH 3.31Å; H352-Y402 AromaticContact ND1-CE2 3.39Å; H352-Y402 WeakPolarHBondContact ND1-CE2 3.25Å; H352-Y402 AromaticContact ND1-CZ 3.38Å; H352-Y402 PolarHBondContact ND1-OH 3.38Å; H352-Y402 VanDerWaalsContact ND1-OH 3.15Å; H352-Y402 PolarHBondContact NE2-OH 2.86Å; N400-Y402 WeakPolarHBondContact OD1-CB 2.9Å; N400-Y402 WeakPolarHBondContact OD1-CD2 3.14Å; N400-Y402 PolarHBondContact OD1-N 2.03Å; Y402-R425 PolarHBondContact O-NH1 3.17Å; Y402-L427 HydrophobicContact CD1-CD2 3.76Å; Y402-L427 HydrophobicContact CD2-CB 4.02Å; Y402-L427 HydrophobicContact CD2-CD2 4.36Å; Y402-L427 WeakPolarHBondContact CD2-O 3.36Å; Y402-L427 HydrophobicContact CE1-CB 4.35Å; Y402-L427 HydrophobicContact CE1-CD1 4.29Å; Y402-L427 HydrophobicContact CE1-CD2 3.58Å; Y402-L427 HydrophobicContact CE1-CG 4.27Å; Y402-L427 HydrophobicContact CE2-CB 3.52Å; Y402-L427 HydrophobicContact CE2-CD2 4.24Å; Y402-L427 HydrophobicContact CE2-CG 4.32Å; Y402-L427 HydrophobicContact CG-CD2 4.19Å; Y402-L427 PolarHBondContact N-O 2.94Å
403	R	76.1	Confident	83.4	Confident	19 Å²	19	40.3 Å²	40.3	7%	0.072	20%	0.197	C	C	.	.	S	Bend	trans	-135.8	140.5	175.9	-69.3	-172.8	-162.8	-173.8	11.5	109.2	D362 G363 N364 C366 W401	D362-R403 PolarHBondContact O-NH1 3.32Å; G363-R403 PolarHBondContact O-NE 3.07Å; N364-R403 CarbonylContact O-C 3.53Å; N364-R403 WeakPolarHBondContact O-CA 3.16Å; N364-R403 VanDerWaalsContact O-CB 3.31Å; N364-R403 WeakPolarHBondContact O-CB 3.35Å; C366-R403 WeakPolarHBondContact SG-CB 3.26Å; W401-R403 PolarHBondContact O-N 3.01Å
404	M	80.9	Confident	82.7	Confident	26 Å²	26	37.8 Å²	37.8	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131	-177.2	-161.6	68.2	-172.9	0	0	110	N364 T365 C366 W401 L408 L410 L430 L444	N364-M404 PolarHBondContact O-N 3Å; T365-M404 WeakPolarHBondContact CA-O 3.34Å; T365-M404 WeakPolarHBondContact CG2-O 3.5Å; C366-M404 PolarHBondContact N-O 3.27Å; C366-M404 VanDerWaalsContact N-O 3.12Å; W401-M404 HydrophobicContact CE3-SD 4.33Å; W401-M404 HydrophobicContact CZ3-CE 4.26Å; W401-M404 HydrophobicContact CZ3-SD 4.41Å; M404-L408 HydrophobicContact CE-CB 3.61Å; M404-L408 HydrophobicContact CE-CD1 3.94Å; M404-L408 HydrophobicContact CE-CG 4.44Å; M404-L410 HydrophobicContact CE-CD1 4.07Å; M404-L410 HydrophobicContact CE-CD2 3.6Å; M404-L410 HydrophobicContact CE-CG 3.82Å; M404-L410 HydrophobicContact SD-CD1 4.31Å; M404-L430 HydrophobicContact CE-CD2 4.41Å; M404-L444 HydrophobicContact CE-CD1 4.06Å
405	P	81.4	Confident	81.4	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.6	169.4	-20	32.5	0	0	0	111	F398 I407 L408	F398-P405 HydrophobicContact CD1-CB 3.85Å; F398-P405 HydrophobicContact CD1-CG 3.29Å; F398-P405 HydrophobicContact CE1-CB 3.46Å; F398-P405 VanDerWaalsContact CE1-CB 3.46Å; F398-P405 HydrophobicContact CE1-CG 3.5Å; F398-P405 HydrophobicContact CG-CG 4.03Å; F398-P405 HydrophobicContact CZ-CB 4.1Å; F398-P405 HydrophobicContact CZ-CG 4.36Å; P405-I407 HydrophobicContact CB-CG2 4.31Å; P405-I407 PolarHBondContact O-N 3.15Å; P405-L408 HydrophobicContact CB-CD1 4.27Å; P405-L408 HydrophobicContact CB-CG 4.37Å; P405-L408 HydrophobicContact CG-CD1 3.89Å; P405-L408 PolarHBondContact O-N 2.78Å
406	S	81	Confident	79.8	Confident	68 Å²	68	44.2 Å²	44.2	48%	0.476	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26	-177.8	57	0	0	0	0	114.5	C366	C366-S406 PolarHBondContact O-N 3.05Å
407	I	86.7	Confident	78.1	Confident	26 Å²	26	47.6 Å²	47.6	13%	0.133	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-28	178.5	-166.4	171.1	0	0	0	113	L368 L396 F398 P405 L446 P447	L368-I407 HydrophobicContact CD1-CB 4.37Å; L368-I407 HydrophobicContact CD1-CD1 4.42Å; L396-I407 HydrophobicContact CD1-CD1 4.02Å; F398-I407 HydrophobicContact CE1-CG2 4.36Å; F398-I407 HydrophobicContact CE2-CG2 4.44Å; F398-I407 HydrophobicContact CZ-CG2 3.63Å; P405-I407 HydrophobicContact CB-CG2 4.31Å; P405-I407 PolarHBondContact O-N 3.15Å; I407-L446 HydrophobicContact CD1-CD1 4.09Å; I407-L446 HydrophobicContact CG1-CD1 4.04Å; I407-L446 HydrophobicContact CG2-CD1 4.07Å; I407-P447 HydrophobicContact CG1-CG 4.37Å; I407-P447 VanDerWaalsContact O-CD 3.28Å; I407-P447 WeakPolarHBondContact O-CD 3.25Å
408	L	89.3	Confident	76.7	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.052	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-80.7	124.4	179.1	-72.2	176	0	0	0	109.8	F398 W401 M404 P405 L444 E445 L446	F398-L408 HydrophobicContact CD2-CD1 3.92Å; F398-L408 HydrophobicContact CD2-CG 4.43Å; F398-L408 HydrophobicContact CE2-CD1 4.12Å; F398-L408 HydrophobicContact CE2-CD2 4.27Å; F398-L408 HydrophobicContact CE2-CG 4.13Å; F398-L408 HydrophobicContact CG-CD1 4.19Å; F398-L408 HydrophobicContact CZ-CG 4.45Å; W401-L408 HydrophobicContact CH2-CD1 3.97Å; W401-L408 HydrophobicContact CZ3-CD1 3.69Å; M404-L408 HydrophobicContact CE-CB 3.61Å; M404-L408 HydrophobicContact CE-CD1 3.94Å; M404-L408 HydrophobicContact CE-CG 4.44Å; P405-L408 HydrophobicContact CB-CD1 4.27Å; P405-L408 HydrophobicContact CB-CG 4.37Å; P405-L408 HydrophobicContact CG-CD1 3.89Å; P405-L408 PolarHBondContact O-N 2.78Å; L408-L444 HydrophobicContact CB-CD1 4.17Å; L408-L444 HydrophobicContact CD1-CD1 4.49Å; L408-L444 HydrophobicContact CD2-CD1 4.15Å; L408-E445 WeakPolarHBondContact CA-O 3.36Å; L408-L446 HydrophobicContact CD2-CB 3.81Å; L408-L446 HydrophobicContact CD2-CD1 3.85Å; L408-L446 HydrophobicContact CD2-CG 4.27Å
409	K	88.4	Confident	75.4	Confident	121 Å²	121	57.8 Å²	57.8	53%	0.526	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.6	176.4	-60.8	-177.1	177.7	-176.5	0	109.7	E445	K409-E445 HydrophobicContact CB-CB 4.24Å; K409-E445 PolarHBondContact N-O 3.23Å; K409-E445 PolarHBondContact O-N 3.09Å
410	L	88.3	Confident	74.6	Confident	76 Å²	76	56.7 Å²	56.7	40%	0.398	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.7	169.7	-58.6	177	0	0	0	107.3	M404 W423 L430 L444	M404-L410 HydrophobicContact CE-CD1 4.07Å; M404-L410 HydrophobicContact CE-CD2 3.6Å; M404-L410 HydrophobicContact CE-CG 3.82Å; M404-L410 HydrophobicContact SD-CD1 4.31Å; L410-W423 HydrophobicContact CD1-CB 3.96Å; L410-W423 HydrophobicContact CD2-CB 3.93Å; L410-W423 HydrophobicContact CD2-CD2 4.08Å; L410-W423 HydrophobicContact CD2-CG 3.66Å; L410-W423 HydrophobicContact CG-CB 4.41Å; L410-W423 HydrophobicContact CG-CG 4.46Å; L410-L430 HydrophobicContact CD2-CD2 4.43Å; L410-L444 HydrophobicContact CD2-CD1 3.54Å
411	D	84.9	Confident	74.2	Confident	82 Å²	82	61.8 Å²	61.8	44%	0.439	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158	176.2	-162.9	10.2	0	0	0	109.7	I443	D411-I443 HydrophobicContact CB-CB 4.14Å; D411-I443 HydrophobicContact CB-CG2 4.46Å; D411-I443 PolarHBondContact N-O 2.79Å; D411-I443 PolarHBondContact O-N 2.82Å
412	C	81.6	Confident	74	Confident	22 Å²	22	62 Å²	62	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	124.2	175.5	175.8	0	0	0	0	109.2	C420 T422 S441	C412-C420 HydrophobicContact CB-CB 4.03Å; C412-C420 WeakPolarHBondContact CB-SG 3.14Å; C412-C420 WeakPolarHBondContact SG-CB 3.33Å; C412-C420 CovalentContact SG-SG 2.01Å; C412-C420 PolarHBondContact SG-SG 3.4Å; C412-T422 HydrophobicContact CB-CG2 4.16Å; C412-T422 WeakPolarHBondContact SG-CG2 3.07Å; C412-S441 WeakPolarHBondContact CA-O 3.28Å; C412-S441 PolarHBondContact SG-O 2.94Å
413	F	72.3	Confident	74.5	Confident	80 Å²	80	61.6 Å²	61.6	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.5	172.5	-179.9	-93.8	0	0	0	108.9	F415 E440 S441 I443	F413-F415 HydrophobicContact CE1-CB 4.47Å; F413-E440 WeakPolarHBondContact O-CA 3.38Å; F413-S441 WeakPolarHBondContact CB-OG 3.25Å; F413-S441 PolarHBondContact N-O 3.33Å; F413-S441 PolarHBondContact O-N 3.35Å; F413-I443 HydrophobicContact CB-CD1 4.1Å
414	N	66.5	Low	74.8	Confident	18 Å²	18	61.6 Å²	61.6	10%	0.096	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	168	-176.6	-38.8	0	0	0	108	F416 G417 T418 E440	N414-F416 PolarHBondContact O-N 3.06Å; N414-F416 WeakPolarHBondContact OD1-CD2 3.23Å; N414-F416 PolarHBondContact OD1-N 2.72Å; N414-G417 PolarHBondContact O-N 3.09Å; N414-T418 VanDerWaalsContact CG-OG1 3.25Å; N414-T418 PolarHBondContact ND2-OG1 3.14Å; N414-E440 HydrophobicContact CB-CG 4.02Å; N414-E440 WeakPolarHBondContact ND2-CG 3.28Å; N414-E440 PolarHBondContact ND2-OE1 2.76Å
415	F	56.2	Low	74.8	Confident	93 Å²	93	63.3 Å²	63.3	41%	0.408	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-23.9	179.8	-170.7	-93.7	0	0	0	114.1	Y197 F413	Y197-F415 HydrophobicContact CD2-CZ 4.44Å; Y197-F415 AromaticContact CE2-CE2 3.79Å; Y197-F415 HydrophobicContact CE2-CE2 3.79Å; Y197-F415 AromaticContact CE2-CZ 3.48Å; Y197-F415 HydrophobicContact CE2-CZ 3.48Å; Y197-F415 VanDerWaalsContact CE2-CZ 3.48Å; F413-F415 HydrophobicContact CE1-CB 4.47Å
416	F	55	Low	74.6	Confident	107 Å²	107	64.1 Å²	64.1	47%	0.469	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1.9	-178.9	-54.6	-72	0	0	0	114.6	K131 N414 T418 D439	K131-F416 VanDerWaalsContact NZ-CZ 3.25Å; N414-F416 PolarHBondContact O-N 3.06Å; N414-F416 WeakPolarHBondContact OD1-CD2 3.23Å; N414-F416 PolarHBondContact OD1-N 2.72Å; F416-T418 VanDerWaalsContact C-N 3.27Å; F416-T418 PolarHBondContact O-N 2.99Å; F416-D439 HydrophobicContact CE2-CB 4.32Å
417	G	52.9	Low	74.3	Confident	73 Å²	73	61.9 Å²	61.9	75%	0.753	32%	0.319	S	S	*	.			trans	72.1	13	177.8	0	0	0	0	0	115.4	N414	N414-G417 PolarHBondContact O-N 3.09Å
418	T	58.5	Low	74	Confident	78 Å²	78	64.6 Å²	64.6	48%	0.479	34%	0.337	S	S	.	.			trans	-75.4	142	173.1	36.2	0	0	0	0	111.4	N414 F416 C420	N414-T418 VanDerWaalsContact CG-OG1 3.25Å; N414-T418 PolarHBondContact ND2-OG1 3.14Å; F416-T418 VanDerWaalsContact C-N 3.27Å; F416-T418 PolarHBondContact O-N 2.99Å; T418-C420 PolarHBondContact O-N 2.05Å
419	K	61.1	Low	73.9	Confident	218 Å²	218	64.9 Å²	64.9	95%	0.948	34%	0.338	S	S	*	.			trans	-60.1	119.7	173.3	-70.1	-175.5	179.2	-178.5	0	109.3
420	C	68.8	Low	74	Confident	31 Å²	31	59.1 Å²	59.1	21%	0.209	31%	0.313	C	S	.	.			trans	-118.9	144.6	174.9	45.8	0	0	0	0	110	C412 T418 T422	C412-C420 HydrophobicContact CB-CB 4.03Å; C412-C420 WeakPolarHBondContact CB-SG 3.14Å; C412-C420 WeakPolarHBondContact SG-CB 3.33Å; C412-C420 CovalentContact SG-SG 2.01Å; C412-C420 PolarHBondContact SG-SG 3.4Å; T418-C420 PolarHBondContact O-N 2.05Å; C420-T422 HydrophobicContact CB-CG2 4.45Å
421	N	70.3	Confident	74.1	Confident	127 Å²	127	57.4 Å²	57.4	68%	0.679	30%	0.302	S	S	*	.			trans	-125.6	101.7	175.5	-172.5	8.5	0	0	0	108
422	T	78.9	Confident	74.4	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.025	28%	0.281	C	S	.	.			trans	-107.3	-6.7	-167.1	49.4	0	0	0	0	113.5	C412 C420 G432 G433 M436 A442	C412-T422 HydrophobicContact CB-CG2 4.16Å; C412-T422 WeakPolarHBondContact SG-CG2 3.07Å; C420-T422 HydrophobicContact CB-CG2 4.45Å; T422-G432 CarbonylContact O-C 3.55Å; T422-G432 VanDerWaalsContact O-CA 3.29Å; T422-G432 WeakPolarHBondContact O-CA 3.46Å; T422-G433 PolarHBondContact O-N 3.33Å; T422-M436 HydrophobicContact CG2-CB 4.3Å; T422-M436 HydrophobicContact CG2-CG 3.77Å; T422-M436 HydrophobicContact CG2-SD 3.68Å; T422-A442 VanDerWaalsContact CB-CB 3.46Å; T422-A442 HydrophobicContact CG2-CB 4.27Å; T422-A442 WeakPolarHBondContact OG1-CA 3.5Å; T422-A442 VanDerWaalsContact OG1-CB 3.31Å; T422-A442 WeakPolarHBondContact OG1-CB 3.19Å
423	W	85.2	Confident	74.6	Confident	11 Å²	11	52.5 Å²	52.5	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.5	-176.6	-66.1	101.5	0	0	0	111.1	L410 L430 R431 G432 A442 I443 L444 V546 I548	L410-W423 HydrophobicContact CD1-CB 3.96Å; L410-W423 HydrophobicContact CD2-CB 3.93Å; L410-W423 HydrophobicContact CD2-CD2 4.08Å; L410-W423 HydrophobicContact CD2-CG 3.66Å; L410-W423 HydrophobicContact CG-CB 4.41Å; L410-W423 HydrophobicContact CG-CG 4.46Å; W423-L430 HydrophobicContact CB-CD1 4.45Å; W423-L430 HydrophobicContact CE3-CD1 4.37Å; W423-L430 HydrophobicContact CE3-CD2 3.82Å; W423-L430 HydrophobicContact CE3-CG 3.77Å; W423-L430 HydrophobicContact CZ3-CD2 4.07Å; W423-L430 HydrophobicContact CZ3-CG 4.21Å; W423-R431 CarbonylContact C-O 3.48Å; W423-R431 WeakPolarHBondContact CA-O 3.48Å; W423-G432 VanDerWaalsContact CE3-CA 3.5Å; W423-A442 HydrophobicContact CD2-CB 4.45Å; W423-A442 HydrophobicContact CZ2-CB 3.95Å; W423-I443 VanDerWaalsContact NE1-C 3.33Å; W423-I443 PolarHBondContact NE1-O 2.92Å; W423-L444 HydrophobicContact CH2-CB 3.91Å; W423-L444 HydrophobicContact CZ2-CB 3.55Å; W423-V546 HydrophobicContact CH2-CG1 4.24Å; W423-V546 HydrophobicContact CZ3-CG1 4.14Å; W423-I548 HydrophobicContact CH2-CD1 3.84Å; W423-I548 HydrophobicContact CZ3-CD1 3.69Å
424	E	81.8	Confident	75.2	Confident	19 Å²	19	49.2 Å²	49.2	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.2	-179.3	-55.4	-165.1	136.8	0	0	109.8	T310 K327 R431	T310-E424 PolarHBondContact OG1-OE2 2.82Å; T310-E424 VanDerWaalsContact OG1-OE2 3.04Å; K327-E424 WeakPolarHBondContact CE-OE1 3.08Å; K327-E424 IonicContact NZ-OE1 2.7Å; K327-E424 PolarHBondContact NZ-OE1 2.99Å; E424-R431 PolarHBondContact N-O 3.13Å; E424-R431 PolarHBondContact O-N 2.92Å
425	R	80.7	Confident	75.7	Confident	63 Å²	63	49.4 Å²	49.4	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.7	176.9	-59.9	177.7	-59.2	157.7	1.3	109.1	W313 W401 Y402 L430	W313-R425 VanDerWaalsContact CD1-O 3.31Å; W401-R425 WeakPolarHBondContact O-CD 3.24Å; Y402-R425 PolarHBondContact O-NH1 3.17Å; R425-L430 HydrophobicContact CG-CD1 4.13Å
426	D	78.7	Confident	76.9	Confident	20 Å²	20	45.1 Å²	45.1	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	59.2	174.8	-168.4	13.6	0	0	0	109.9	W313 R324 T428 L429 R431	W313-D426 PolarHBondContact NE1-OD1 3.19Å; R324-D426 IonicContact CZ-OD1 2.81Å; R324-D426 IonicContact NH2-OD1 2.67Å; R324-D426 PolarHBondContact NH2-OD1 3.21Å; R324-D426 IonicContact NH2-OD2 3.82Å; D426-T428 VanDerWaalsContact C-N 3.29Å; D426-T428 PolarHBondContact O-N 2.92Å; D426-L429 CarbonylContact C-O 3.4Å; D426-L429 HydrophobicContact CB-CD1 3.72Å; D426-L429 HydrophobicContact CB-CG 3.98Å; D426-L429 PolarHBondContact N-O 2.04Å; D426-L429 PolarHBondContact O-N 2.89Å; D426-R431 IonicContact OD2-CZ 2.81Å; D426-R431 IonicContact OD2-NH1 3.8Å; D426-R431 IonicContact OD2-NH2 3.07Å; D426-R431 PolarHBondContact OD2-NH2 2.85Å
427	L	74	Confident	77.8	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.11	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-75.6	177.5	-57.6	-174.7	0	0	0	115.1	W313 T322 W401 Y402	W313-L427 HydrophobicContact CB-CD2 4.36Å; W313-L427 HydrophobicContact CD2-CD1 3.92Å; W313-L427 HydrophobicContact CD2-CD2 3.57Å; W313-L427 HydrophobicContact CD2-CG 3.61Å; W313-L427 VanDerWaalsContact CE2-CG 3.41Å; W313-L427 HydrophobicContact CE3-CD1 3.98Å; W313-L427 HydrophobicContact CE3-CD2 3.77Å; W313-L427 HydrophobicContact CE3-CG 4.06Å; W313-L427 HydrophobicContact CG-CD2 3.83Å; W313-L427 HydrophobicContact CG-CG 4.05Å; W313-L427 HydrophobicContact CH2-CD1 3.35Å; W313-L427 HydrophobicContact CH2-CG 4.17Å; W313-L427 HydrophobicContact CZ2-CD1 3.23Å; W313-L427 HydrophobicContact CZ2-CD2 4.46Å; W313-L427 HydrophobicContact CZ2-CG 3.7Å; W313-L427 HydrophobicContact CZ3-CD1 3.72Å; W313-L427 HydrophobicContact CZ3-CD2 4.31Å; W313-L427 HydrophobicContact CZ3-CG 4.32Å; T322-L427 HydrophobicContact CG2-CD2 4.02Å; W401-L427 CarbonylContact C-O 3.57Å; W401-L427 WeakPolarHBondContact CA-O 3.36Å; W401-L427 PolarHBondContact N-O 3.33Å; Y402-L427 HydrophobicContact CD1-CD2 3.76Å; Y402-L427 HydrophobicContact CD2-CB 4.02Å; Y402-L427 HydrophobicContact CD2-CD2 4.36Å; Y402-L427 WeakPolarHBondContact CD2-O 3.36Å; Y402-L427 HydrophobicContact CE1-CB 4.35Å; Y402-L427 HydrophobicContact CE1-CD1 4.29Å; Y402-L427 HydrophobicContact CE1-CD2 3.58Å; Y402-L427 HydrophobicContact CE1-CG 4.27Å; Y402-L427 HydrophobicContact CE2-CB 3.52Å; Y402-L427 HydrophobicContact CE2-CD2 4.24Å; Y402-L427 HydrophobicContact CE2-CG 4.32Å; Y402-L427 HydrophobicContact CG-CD2 4.19Å; Y402-L427 PolarHBondContact N-O 2.94Å
428	T	80.3	Confident	78.7	Confident	83 Å²	83	41.7 Å²	41.7	51%	0.509	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.3	-178.6	58.4	0	0	0	0	113.3	D426	D426-T428 VanDerWaalsContact C-N 3.29Å; D426-T428 PolarHBondContact O-N 2.92Å
429	L	88.3	Confident	79.3	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.5	175.9	66.8	87.1	0	0	0	112.4	W401 D426 R431 N547 I548 Y549	W401-L429 VanDerWaalsContact CD1-C 3.44Å; D426-L429 CarbonylContact C-O 3.4Å; D426-L429 HydrophobicContact CB-CD1 3.72Å; D426-L429 HydrophobicContact CB-CG 3.98Å; D426-L429 PolarHBondContact N-O 2.04Å; D426-L429 PolarHBondContact O-N 2.89Å; L429-R431 HydrophobicContact CD1-CB 3.99Å; L429-N547 HydrophobicContact CD1-CB 4.04Å; L429-N547 VanDerWaalsContact CD1-OD1 3.24Å; L429-N547 WeakPolarHBondContact CD1-OD1 3.37Å; L429-N547 HydrophobicContact CD2-CB 4.28Å; L429-I548 CarbonylContact C-O 3.53Å; L429-I548 VanDerWaalsContact CA-O 3.25Å; L429-I548 WeakPolarHBondContact CA-O 3.46Å; L429-I548 WeakPolarHBondContact CB-O 3.15Å; L429-Y549 HydrophobicContact CB-CD1 3.91Å; L429-Y549 HydrophobicContact CB-CE1 4.08Å; L429-Y549 HydrophobicContact CD2-CD1 4.4Å; L429-Y549 HydrophobicContact CD2-CE1 3.73Å
430	L	90.3	Very high	80.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.4	169.3	179.7	70.6	0	0	0	109	W401 M404 L410 W423 R425 L444 I548	W401-L430 HydrophobicContact CD2-CB 3.61Å; W401-L430 HydrophobicContact CE3-CB 3.78Å; W401-L430 HydrophobicContact CE3-CD1 4.47Å; W401-L430 HydrophobicContact CE3-CD2 4.08Å; W401-L430 HydrophobicContact CE3-CG 4.33Å; W401-L430 HydrophobicContact CG-CB 3.99Å; W401-L430 HydrophobicContact CH2-CB 4.43Å; W401-L430 HydrophobicContact CH2-CD2 4.14Å; W401-L430 HydrophobicContact CZ2-CB 4.3Å; W401-L430 HydrophobicContact CZ3-CB 4.19Å; W401-L430 HydrophobicContact CZ3-CD2 3.78Å; M404-L430 HydrophobicContact CE-CD2 4.41Å; L410-L430 HydrophobicContact CD2-CD2 4.43Å; W423-L430 HydrophobicContact CB-CD1 4.45Å; W423-L430 HydrophobicContact CE3-CD1 4.37Å; W423-L430 HydrophobicContact CE3-CD2 3.82Å; W423-L430 HydrophobicContact CE3-CG 3.77Å; W423-L430 HydrophobicContact CZ3-CD2 4.07Å; W423-L430 HydrophobicContact CZ3-CG 4.21Å; R425-L430 HydrophobicContact CG-CD1 4.13Å; L430-L444 HydrophobicContact CD2-CD1 4.31Å; L430-L444 HydrophobicContact CD2-CD2 4.1Å; L430-I548 HydrophobicContact CB-CB 4.34Å; L430-I548 PolarHBondContact N-O 2.98Å; L430-I548 PolarHBondContact O-N 3.24Å
431	R	90.7	Very high	80.9	Confident	40 Å²	40	31.7 Å²	31.7	15%	0.151	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.9	-178.2	-173.6	173	-62.3	147.9	8.3	110.8	W423 E424 D426 L429 V434 H545 V546 N547	W423-R431 CarbonylContact C-O 3.48Å; W423-R431 WeakPolarHBondContact CA-O 3.48Å; E424-R431 PolarHBondContact N-O 3.13Å; E424-R431 PolarHBondContact O-N 2.92Å; D426-R431 IonicContact OD2-CZ 2.81Å; D426-R431 IonicContact OD2-NH1 3.8Å; D426-R431 IonicContact OD2-NH2 3.07Å; D426-R431 PolarHBondContact OD2-NH2 2.85Å; L429-R431 HydrophobicContact CD1-CB 3.99Å; R431-V434 HydrophobicContact CG-CG2 3.89Å; R431-H545 HydrophobicContact CG-CB 4.02Å; R431-V546 CarbonylContact C-O 3.55Å; R431-V546 VanDerWaalsContact CA-O 3.23Å; R431-V546 WeakPolarHBondContact CA-O 3.42Å; R431-N547 WeakPolarHBondContact CG-OD1 3.19Å; R431-N547 PolarHBondContact NE-OD1 2.81Å
432	G	90.2	Very high	81.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.9	176.7	0	0	0	0	0	112.2	T422 W423 H545 V546	T422-G432 CarbonylContact O-C 3.55Å; T422-G432 VanDerWaalsContact O-CA 3.29Å; T422-G432 WeakPolarHBondContact O-CA 3.46Å; W423-G432 VanDerWaalsContact CE3-CA 3.5Å; G432-H545 CarbonylContact O-C 3.59Å; G432-H545 WeakPolarHBondContact O-CA 3.18Å; G432-H545 VanDerWaalsContact O-CB 3.27Å; G432-H545 WeakPolarHBondContact O-CB 3.5Å; G432-V546 PolarHBondContact N-O 3.48Å; G432-V546 PolarHBondContact O-N 2.85Å
433	G	87	Confident	82.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.			trans	104.8	-4.6	167.3	0	0	0	0	0	117.8	T422 G435 M436 K535 D544	T422-G433 PolarHBondContact O-N 3.33Å; G433-G435 PolarHBondContact O-N 2.88Å; G433-M436 WeakPolarHBondContact O-CB 3.49Å; G433-M436 PolarHBondContact O-N 3.35Å; G433-K535 PolarHBondContact O-NZ 3.06Å; G433-K535 VanDerWaalsContact O-NZ 3.08Å; G433-D544 CarbonylContact C-O 3.59Å
434	V	83.7	Confident	82.8	Confident	12 Å²	12	25.7 Å²	25.7	7%	0.073	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	129.7	175.5	-178.5	0	0	0	0	109.9	T310 I329 R431 M436 H545	T310-V434 HydrophobicContact CG2-CG1 4.38Å; I329-V434 HydrophobicContact CD1-CG1 4.16Å; R431-V434 HydrophobicContact CG-CG2 3.89Å; V434-M436 PolarHBondContact O-N 2.88Å; V434-H545 HydrophobicContact CG2-CB 3.75Å
435	G	76.9	Confident	83.3	Confident	21 Å²	21	25.6 Å²	25.6	22%	0.216	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	-1.9	-176.9	0	0	0	0	0	115.3	I329 G433 I542	I329-G435 VanDerWaalsContact CG2-CA 3.44Å; G433-G435 PolarHBondContact O-N 2.88Å; G435-I542 PolarHBondContact N-O 2.89Å
436	M	81.3	Confident	83.9	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.02	13%	0.126	C	C	.	.			trans	-71.7	135.4	-178.4	-169.4	178	79	0	0	111.6	T422 G433 V434 E440 A442 F533 K535	T422-M436 HydrophobicContact CG2-CB 4.3Å; T422-M436 HydrophobicContact CG2-CG 3.77Å; T422-M436 HydrophobicContact CG2-SD 3.68Å; G433-M436 WeakPolarHBondContact O-CB 3.49Å; G433-M436 PolarHBondContact O-N 3.35Å; V434-M436 PolarHBondContact O-N 2.88Å; M436-E440 WeakPolarHBondContact CE-O 3.41Å; M436-E440 HydrophobicContact CG-CB 3.45Å; M436-E440 VanDerWaalsContact CG-CB 3.45Å; M436-E440 HydrophobicContact SD-CB 4.23Å; M436-A442 HydrophobicContact SD-CB 3.95Å; M436-A442 PolarHBondContact SD-N 3.12Å; M436-A442 VanDerWaalsContact SD-N 3.44Å; M436-F533 HydrophobicContact CE-CD1 3.53Å; M436-F533 HydrophobicContact CE-CE1 3.81Å; M436-F533 HydrophobicContact SD-CD1 4.45Å; M436-K535 HydrophobicContact CE-CD 4.43Å; M436-K535 HydrophobicContact CE-CG 4.15Å; M436-K535 PolarHBondContact O-NZ 3.25Å
437	H	74.6	Confident	84.6	Confident	73 Å²	73	22.6 Å²	22.6	34%	0.338	13%	0.127	S	C	.	.			trans	-72.8	165.6	175.4	-167	-101.4	0	0	0	112	D439 E440	H437-D439 IonicContact CE1-OD1 2.74Å; H437-D439 IonicContact CE1-OD2 2.81Å; H437-D439 PolarHBondContact CE1-OD2 2.81Å; H437-D439 PolarHBondContact ND1-N 3.29Å; H437-D439 IonicContact ND1-OD1 3.82Å; H437-D439 IonicContact ND1-OD2 2.8Å; H437-D439 PolarHBondContact ND1-OD2 3.14Å; H437-D439 PolarHBondContact O-N 2.98Å; H437-E440 HydrophobicContact CB-CG 4.08Å; H437-E440 PolarHBondContact N-OE2 2.75Å; H437-E440 PolarHBondContact O-N 3.25Å
438	S	72.1	Confident	85.4	Confident	35 Å²	35	21.6 Å²	21.6	25%	0.245	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.8	177.2	57.3	0	0	0	0	114	E440	S438-E440 VanDerWaalsContact C-N 3.34Å
439	D	71.3	Confident	85.6	Confident	69 Å²	69	24.6 Å²	24.6	37%	0.369	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.2	-175.4	-52.1	-16.3	0	0	0	111.9	F416 H437	F416-D439 HydrophobicContact CE2-CB 4.32Å; H437-D439 IonicContact CE1-OD1 2.74Å; H437-D439 IonicContact CE1-OD2 2.81Å; H437-D439 PolarHBondContact CE1-OD2 2.81Å; H437-D439 PolarHBondContact ND1-N 3.29Å; H437-D439 IonicContact ND1-OD1 3.82Å; H437-D439 IonicContact ND1-OD2 2.8Å; H437-D439 PolarHBondContact ND1-OD2 3.14Å; H437-D439 PolarHBondContact O-N 2.98Å
440	E	78.2	Confident	85.3	Confident	31 Å²	31	28 Å²	28	15%	0.145	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	151.6	178.6	-68.6	177.9	154.4	0	0	110	F413 N414 M436 H437 S438	F413-E440 WeakPolarHBondContact O-CA 3.38Å; N414-E440 HydrophobicContact CB-CG 4.02Å; N414-E440 WeakPolarHBondContact ND2-CG 3.28Å; N414-E440 PolarHBondContact ND2-OE1 2.76Å; M436-E440 WeakPolarHBondContact CE-O 3.41Å; M436-E440 HydrophobicContact CG-CB 3.45Å; M436-E440 VanDerWaalsContact CG-CB 3.45Å; M436-E440 HydrophobicContact SD-CB 4.23Å; H437-E440 HydrophobicContact CB-CG 4.08Å; H437-E440 PolarHBondContact N-OE2 2.75Å; H437-E440 PolarHBondContact O-N 3.25Å; S438-E440 VanDerWaalsContact C-N 3.34Å
441	S	83.8	Confident	85.2	Confident	16 Å²	16	28 Å²	28	11%	0.112	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139	173.2	50.9	0	0	0	0	110.9	C412 F413 F533	C412-S441 WeakPolarHBondContact CA-O 3.28Å; C412-S441 PolarHBondContact SG-O 2.94Å; F413-S441 WeakPolarHBondContact CB-OG 3.25Å; F413-S441 PolarHBondContact N-O 3.33Å; F413-S441 PolarHBondContact O-N 3.35Å; S441-F533 WeakPolarHBondContact CA-O 3.25Å
442	A	90	Very high	85.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.5	175.6	0	0	0	0	0	108.9	T422 W423 M436 I532 F533	T422-A442 VanDerWaalsContact CB-CB 3.46Å; T422-A442 HydrophobicContact CG2-CB 4.27Å; T422-A442 WeakPolarHBondContact OG1-CA 3.5Å; T422-A442 VanDerWaalsContact OG1-CB 3.31Å; T422-A442 WeakPolarHBondContact OG1-CB 3.19Å; W423-A442 HydrophobicContact CD2-CB 4.45Å; W423-A442 HydrophobicContact CZ2-CB 3.95Å; M436-A442 HydrophobicContact SD-CB 3.95Å; M436-A442 PolarHBondContact SD-N 3.12Å; M436-A442 VanDerWaalsContact SD-N 3.44Å; A442-I532 CarbonylContact O-C 3.6Å; A442-I532 WeakPolarHBondContact O-CA 3.49Å; A442-F533 HydrophobicContact CB-CB 4.22Å; A442-F533 PolarHBondContact N-O 2.87Å; A442-F533 PolarHBondContact O-N 2.96Å
443	I	91.1	Very high	84.8	Confident	17 Å²	17	28.4 Å²	28.4	9%	0.087	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.5	-175.5	-55.7	171.6	0	0	0	108.9	D411 F413 W423 E445 K530 W531 I532	D411-I443 HydrophobicContact CB-CB 4.14Å; D411-I443 HydrophobicContact CB-CG2 4.46Å; D411-I443 PolarHBondContact N-O 2.79Å; D411-I443 PolarHBondContact O-N 2.82Å; F413-I443 HydrophobicContact CB-CD1 4.1Å; W423-I443 VanDerWaalsContact NE1-C 3.33Å; W423-I443 PolarHBondContact NE1-O 2.92Å; I443-E445 HydrophobicContact CG2-CG 3.82Å; I443-K530 HydrophobicContact CG2-CD 4.47Å; I443-W531 CarbonylContact C-O 3.52Å; I443-W531 WeakPolarHBondContact CA-O 3.32Å; I443-I532 HydrophobicContact CG1-CG1 4.29Å; I443-I532 HydrophobicContact CG1-CG2 4.25Å; I443-I532 HydrophobicContact CG2-CG1 4.43Å
444	L	93.7	Very high	84.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.1	169.8	173.5	69.6	0	0	0	107.7	M404 L408 L410 W423 L430 K530 W531 I548 I551	M404-L444 HydrophobicContact CE-CD1 4.06Å; L408-L444 HydrophobicContact CB-CD1 4.17Å; L408-L444 HydrophobicContact CD1-CD1 4.49Å; L408-L444 HydrophobicContact CD2-CD1 4.15Å; L410-L444 HydrophobicContact CD2-CD1 3.54Å; W423-L444 HydrophobicContact CH2-CB 3.91Å; W423-L444 HydrophobicContact CZ2-CB 3.55Å; L430-L444 HydrophobicContact CD2-CD1 4.31Å; L430-L444 HydrophobicContact CD2-CD2 4.1Å; L444-K530 CarbonylContact O-C 3.58Å; L444-K530 WeakPolarHBondContact O-CA 3.45Å; L444-W531 HydrophobicContact CB-CB 4.33Å; L444-W531 HydrophobicContact CB-CE3 4.28Å; L444-W531 HydrophobicContact CD2-CD2 4.48Å; L444-W531 HydrophobicContact CD2-CE3 3.81Å; L444-W531 HydrophobicContact CD2-CZ3 4.34Å; L444-W531 HydrophobicContact CG-CE3 3.87Å; L444-W531 HydrophobicContact CG-CZ3 4.39Å; L444-W531 PolarHBondContact N-O 3.02Å; L444-W531 PolarHBondContact O-N 3.19Å; L444-I548 HydrophobicContact CD2-CD1 3.85Å; L444-I551 HydrophobicContact CD2-CD1 3.62Å
445	E	92.6	Very high	83.9	Confident	16 Å²	16	31.3 Å²	31.3	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.5	179.5	-47.6	-165.3	146.3	0	0	112.1	L408 K409 I443 K528 F529 K530	L408-E445 WeakPolarHBondContact CA-O 3.36Å; K409-E445 HydrophobicContact CB-CB 4.24Å; K409-E445 PolarHBondContact N-O 3.23Å; K409-E445 PolarHBondContact O-N 3.09Å; I443-E445 HydrophobicContact CG2-CG 3.82Å; E445-K528 HydrophobicContact CB-CD 4.46Å; E445-K528 IonicContact OE2-NZ 2.65Å; E445-F529 CarbonylContact C-O 3.52Å; E445-F529 WeakPolarHBondContact CA-O 3.39Å; E445-K530 HydrophobicContact CG-CD 4.46Å; E445-K530 HydrophobicContact CG-CG 4.2Å; E445-K530 WeakPolarHBondContact OE1-CE 3.14Å; E445-K530 IonicContact OE1-NZ 2.64Å; E445-K530 PolarHBondContact OE1-NZ 3.49Å
446	L	93.8	Very high	83.3	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	99.9	171	176.8	59	0	0	0	109.6	L396 F398 I407 L408 I448 K528 F529 W531 I551 V553	L396-L446 HydrophobicContact CD1-CD1 3.91Å; L396-L446 HydrophobicContact CD1-CD2 4.43Å; F398-L446 HydrophobicContact CE2-CD1 4.35Å; I407-L446 HydrophobicContact CD1-CD1 4.09Å; I407-L446 HydrophobicContact CG1-CD1 4.04Å; I407-L446 HydrophobicContact CG2-CD1 4.07Å; L408-L446 HydrophobicContact CD2-CB 3.81Å; L408-L446 HydrophobicContact CD2-CD1 3.85Å; L408-L446 HydrophobicContact CD2-CG 4.27Å; L446-I448 HydrophobicContact CD1-CD1 4.3Å; L446-I448 HydrophobicContact CD2-CD1 4.38Å; L446-I448 HydrophobicContact CG-CD1 4.02Å; L446-K528 WeakPolarHBondContact O-CA 3.23Å; L446-F529 HydrophobicContact CB-CB 4.4Å; L446-F529 PolarHBondContact N-O 2.75Å; L446-F529 PolarHBondContact O-N 3.37Å; L446-W531 HydrophobicContact CB-CH2 4.07Å; L446-W531 HydrophobicContact CB-CZ3 3.72Å; L446-W531 HydrophobicContact CD2-CH2 4.06Å; L446-W531 HydrophobicContact CD2-CZ3 4.47Å; L446-I551 HydrophobicContact CD2-CG2 4.36Å; L446-V553 HydrophobicContact CD2-CG2 3.62Å
447	P	92	Very high	82.1	Confident	20 Å²	20	36.8 Å²	36.8	13%	0.13	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.6	176.3	31.4	-31.9	0	0	0	111.8	I407 K528	I407-P447 HydrophobicContact CG1-CG 4.37Å; I407-P447 VanDerWaalsContact O-CD 3.28Å; I407-P447 WeakPolarHBondContact O-CD 3.25Å; P447-K528 HydrophobicContact CB-CG 4.47Å
448	I	91.4	Very high	81.2	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	84.2	176	-53.3	-59.9	0	0	0	108.6	L396 L446 F452 V527 F529 V556	L396-I448 HydrophobicContact CD1-CD1 3.91Å; L446-I448 HydrophobicContact CD1-CD1 4.3Å; L446-I448 HydrophobicContact CD2-CD1 4.38Å; L446-I448 HydrophobicContact CG-CD1 4.02Å; I448-F452 HydrophobicContact CG2-CE2 4.4Å; I448-F452 HydrophobicContact CG2-CZ 4.3Å; I448-V527 CarbonylContact C-O 3.51Å; I448-V527 VanDerWaalsContact CA-O 3.31Å; I448-V527 WeakPolarHBondContact CA-O 3.35Å; I448-V527 HydrophobicContact CB-CG1 4.07Å; I448-V527 VanDerWaalsContact CB-O 3.27Å; I448-V527 WeakPolarHBondContact CB-O 3.4Å; I448-V527 HydrophobicContact CG1-CG1 4.41Å; I448-V527 PolarHBondContact N-O 2.8Å; I448-V527 PolarHBondContact O-N 2.8Å; I448-V527 VanDerWaalsContact O-N 3.15Å; I448-F529 HydrophobicContact CG1-CD2 4.14Å; I448-F529 HydrophobicContact CG1-CE2 4.02Å; I448-V556 HydrophobicContact CD1-CG1 4.26Å; I448-V556 HydrophobicContact CD1-CG2 4.37Å; I448-V556 HydrophobicContact CG2-CG1 3.47Å; I448-V556 VanDerWaalsContact CG2-CG1 3.47Å
449	K	84.7	Confident	80	Confident	146 Å²	146	41.1 Å²	41.1	64%	0.635	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-41.6	-167.5	-65.4	-176.2	179.4	-179.3	0	114.2	G451 E526	K449-G451 VanDerWaalsContact C-N 3.29Å; K449-G451 PolarHBondContact O-N 2.89Å; K449-E526 WeakPolarHBondContact CA-OE1 3.32Å; K449-E526 VanDerWaalsContact O-CB 3.31Å; K449-E526 WeakPolarHBondContact O-CB 3.47Å; K449-E526 VanDerWaalsContact O-CG 3.25Å; K449-E526 WeakPolarHBondContact O-CG 2.96Å
450	D	82.8	Confident	78.9	Confident	86 Å²	86	41.8 Å²	41.8	46%	0.46	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.6	-174.8	-70.2	-3.3	0	0	0	112.5	K557 N558	D450-K557 HydrophobicContact CB-CB 4.09Å; D450-K557 HydrophobicContact CB-CD 4.39Å; D450-K557 HydrophobicContact CB-CG 4.39Å; D450-K557 WeakPolarHBondContact O-CB 3.25Å; D450-K557 WeakPolarHBondContact O-CD 2.98Å; D450-N558 HydrophobicContact CB-CB 4.4Å; D450-N558 WeakPolarHBondContact OD2-CB 3.39Å; D450-N558 PolarHBondContact OD2-ND2 3.19Å
451	G	87.1	Confident	77.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.			trans	71.1	-152.7	-176.3	0	0	0	0	0	113.3	K449 A524 S525 K557	K449-G451 VanDerWaalsContact C-N 3.29Å; K449-G451 PolarHBondContact O-N 2.89Å; G451-A524 CarbonylContact C-O 3.5Å; G451-A524 VanDerWaalsContact CA-O 3.27Å; G451-A524 WeakPolarHBondContact CA-O 3.39Å; G451-S525 WeakPolarHBondContact CA-O 3.05Å; G451-K557 WeakPolarHBondContact O-CB 3.46Å; G451-K557 PolarHBondContact O-N 3.38Å
452	F	88.9	Confident	75.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-113.8	159	-175.7	-61	-89.2	0	0	0	112.2	I448 P471 T475 I521 A524 V527 F529 V553 N555 V556	I448-F452 HydrophobicContact CG2-CE2 4.4Å; I448-F452 HydrophobicContact CG2-CZ 4.3Å; F452-P471 HydrophobicContact CB-CB 4.04Å; F452-T475 HydrophobicContact CB-CG2 4.1Å; F452-T475 HydrophobicContact CD1-CG2 3.33Å; F452-T475 HydrophobicContact CE1-CG2 3.86Å; F452-T475 HydrophobicContact CG-CG2 3.81Å; F452-I521 HydrophobicContact CD2-CG2 3.72Å; F452-I521 HydrophobicContact CE1-CG1 4.02Å; F452-I521 HydrophobicContact CE2-CB 4.47Å; F452-I521 HydrophobicContact CE2-CD1 4.39Å; F452-I521 HydrophobicContact CE2-CG1 4.06Å; F452-I521 HydrophobicContact CE2-CG2 3.67Å; F452-I521 HydrophobicContact CG-CG2 4.3Å; F452-I521 HydrophobicContact CZ-CD1 4.07Å; F452-I521 HydrophobicContact CZ-CG1 3.72Å; F452-I521 HydrophobicContact CZ-CG2 4.22Å; F452-A524 HydrophobicContact CB-CB 4.2Å; F452-A524 PolarHBondContact N-O 2.94Å; F452-V527 HydrophobicContact CE2-CG1 3.63Å; F452-V527 HydrophobicContact CZ-CG1 4.2Å; F452-F529 HydrophobicContact CZ-CE2 4.02Å; F452-F529 HydrophobicContact CZ-CZ 4.24Å; F452-V553 HydrophobicContact CE1-CG1 3.76Å; F452-V553 HydrophobicContact CZ-CG1 4.36Å; F452-N555 WeakPolarHBondContact CA-O 3.47Å; F452-V556 HydrophobicContact CD1-CG2 4.4Å; F452-V556 HydrophobicContact CE1-CG2 4.16Å
453	I	84.9	Confident	73.7	Confident	45 Å²	45	56.6 Å²	56.6	23%	0.231	32%	0.315	C	S	.	.			trans	-72.2	132	178	-55	171.9	0	0	0	109.2	Y394 I472 N555 K557	Y394-I453 HydrophobicContact CD2-CD1 3.58Å; Y394-I453 HydrophobicContact CE2-CD1 4.48Å; Y394-I453 HydrophobicContact CG-CD1 3.92Å; I453-I472 HydrophobicContact CB-CD1 4.06Å; I453-I472 HydrophobicContact CG2-CD1 3.44Å; I453-I472 VanDerWaalsContact CG2-CD1 3.44Å; I453-I472 HydrophobicContact CG2-CG1 4.37Å; I453-I472 WeakPolarHBondContact O-CG1 3.38Å; I453-I472 PolarHBondContact O-N 3.37Å; I453-N555 HydrophobicContact CB-CB 4.49Å; I453-N555 WeakPolarHBondContact CG1-O 3.37Å; I453-N555 PolarHBondContact N-O 3.16Å; I453-K557 HydrophobicContact CG1-CB 4.37Å
454	T	78.8	Confident	71.7	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.19	33%	0.329	C	S	.	.			trans	-103.8	157.3	173.5	60.4	0	0	0	0	110.8	S456 Q469 A524	T454-S456 VanDerWaalsContact C-N 3.27Å; T454-S456 PolarHBondContact OG1-O 2.71Å; T454-S456 PolarHBondContact OG1-OG 2.95Å; T454-Q469 HydrophobicContact CG2-CB 4.09Å; T454-A524 HydrophobicContact CG2-CB 3.41Å; T454-A524 VanDerWaalsContact CG2-CB 3.41Å
455	A	71	Confident	69.4	Low	43 Å²	43	63.4 Å²	63.4	36%	0.355	35%	0.349	S	S	.	.	S	Bend	trans	-74.9	-19.9	172.4	0	0	0	0	0	112.5	I472 V609	A455-I472 HydrophobicContact CB-CG1 4.34Å; A455-V609 WeakPolarHBondContact CB-O 3.28Å
456	S	65.7	Low	67.5	Low	36 Å²	36	69.3 Å²	69.3	25%	0.252	37%	0.374	S	S	.	.			trans	-74.2	137.1	179.4	57.3	0	0	0	0	111.7	T454 L458	T454-S456 VanDerWaalsContact C-N 3.27Å; T454-S456 PolarHBondContact OG1-O 2.71Å; T454-S456 PolarHBondContact OG1-OG 2.95Å; S456-L458 VanDerWaalsContact C-N 3.35Å
457	T	56.1	Low	66	Low	104 Å²	104	71.9 Å²	71.9	64%	0.638	38%	0.384	S	S	*	.			trans	-92	5.2	170.8	50.5	0	0	0	0	113.2	D459	T457-D459 PolarHBondContact O-N 2.72Å; T457-D459 VanDerWaalsContact O-N 3.1Å
458	L	55.6	Low	64.7	Low	74 Å²	74	73.5 Å²	73.5	39%	0.387	39%	0.39	S	S	.	.			trans	-66.8	108.4	175.4	-71.3	157	0	0	0	107.7	S456	S456-L458 VanDerWaalsContact C-N 3.35Å
459	D	46.4	Very low	63.7	Low	125 Å²	125	76.1 Å²	76.1	67%	0.668	40%	0.402	S	S	*	.			trans	-58.6	141.7	173.6	-84.7	-32.2	0	0	0	109.1	T457 T461 D462	T457-D459 PolarHBondContact O-N 2.72Å; T457-D459 VanDerWaalsContact O-N 3.1Å; D459-T461 PolarHBondContact O-N 2.7Å; D459-D462 PolarHBondContact O-N 2.99Å
460	S	48.9	Very low	63.2	Low	82 Å²	82	70.1 Å²	70.1	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-0	-177	56.3	0	0	0	0	115.1	S465	S460-S465 WeakPolarHBondContact O-CB 3.4Å
461	T	45.8	Very low	63.3	Low	120 Å²	120	66.5 Å²	66.5	74%	0.736	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.7	178	50.4	0	0	0	0	114.1	D459	D459-T461 PolarHBondContact O-N 2.7Å
462	D	46.5	Very low	63.2	Low	72 Å²	72	67.4 Å²	67.4	39%	0.385	36%	0.363	S	S	.	.	S	Bend	trans	-78.1	157.5	179.2	-73.9	-21.5	0	0	0	112.4	D459 Y464 S465	D459-D462 PolarHBondContact O-N 2.99Å; D462-Y464 HydrophobicContact CB-CD2 4.19Å; D462-Y464 PolarHBondContact O-N 2.86Å; D462-S465 PolarHBondContact O-N 2.85Å
463	E	49.7	Very low	62.7	Low	167 Å²	167	68 Å²	68	78%	0.78	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-13.7	172.6	-164.8	171.4	-173.2	0	0	113.6
464	Y	50.1	Low	62.6	Low	101 Å²	101	71 Å²	71	40%	0.396	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	7.4	178.4	-55.3	-80	0	0	0	116.2	D462 F466 Y467 I637	D462-Y464 HydrophobicContact CB-CD2 4.19Å; D462-Y464 PolarHBondContact O-N 2.86Å; Y464-F466 PolarHBondContact O-N 2.81Å; Y464-Y467 VanDerWaalsContact CA-CD2 3.41Å; Y464-Y467 AromaticContact CD1-CD2 3.65Å; Y464-Y467 HydrophobicContact CD1-CD2 3.65Å; Y464-Y467 AromaticContact CD1-CE2 3.38Å; Y464-Y467 HydrophobicContact CD1-CE2 3.38Å; Y464-Y467 HydrophobicContact CE1-CE2 4.17Å; Y464-Y467 HydrophobicContact CG-CD2 4.17Å; Y464-Y467 HydrophobicContact CG-CE2 4.14Å; Y464-Y467 WeakPolarHBondContact O-CD2 3.49Å; Y464-Y467 PolarHBondContact O-N 2.84Å; Y464-I637 HydrophobicContact CD1-CD1 4.42Å
465	S	45.1	Very low	63.1	Low	58 Å²	58	69.6 Å²	69.6	41%	0.406	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.6	178.6	68.8	0	0	0	0	114.4	S460 D462	S460-S465 WeakPolarHBondContact O-CB 3.4Å; D462-S465 PolarHBondContact O-N 2.85Å
466	F	52.6	Low	64.2	Low	141 Å²	141	68 Å²	68	62%	0.618	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1	-178.1	-55.5	-77.6	0	0	0	114.4	Y464 G688	Y464-F466 PolarHBondContact O-N 2.81Å; F466-G688 CarbonylContact O-C 3.58Å
467	Y	61.1	Low	65.6	Low	53 Å²	53	66.3 Å²	66.3	21%	0.208	35%	0.35	C	S	.	.	S	Bend	trans	-93.7	150.2	-179	-63.5	-86.2	0	0	0	111.1	Y464 Q469 I637 V639 Y687	Y464-Y467 VanDerWaalsContact CA-CD2 3.41Å; Y464-Y467 AromaticContact CD1-CD2 3.65Å; Y464-Y467 HydrophobicContact CD1-CD2 3.65Å; Y464-Y467 AromaticContact CD1-CE2 3.38Å; Y464-Y467 HydrophobicContact CD1-CE2 3.38Å; Y464-Y467 HydrophobicContact CE1-CE2 4.17Å; Y464-Y467 HydrophobicContact CG-CD2 4.17Å; Y464-Y467 HydrophobicContact CG-CE2 4.14Å; Y464-Y467 WeakPolarHBondContact O-CD2 3.49Å; Y464-Y467 PolarHBondContact O-N 2.84Å; Y467-Q469 PolarHBondContact O-N 2.8Å; Y467-I637 HydrophobicContact CD2-CD1 4.31Å; Y467-I637 HydrophobicContact CG-CD1 4.07Å; Y467-V639 HydrophobicContact CE1-CG1 4.48Å; Y467-Y687 WeakPolarHBondContact CD1-O 3.47Å; Y467-Y687 WeakPolarHBondContact CE1-O 3.46Å
468	F	64.9	Low	67.6	Low	55 Å²	55	64.7 Å²	64.7	24%	0.241	33%	0.332	C	S	.	.			trans	-55.6	121.6	174.5	172.9	-103.1	0	0	0	110.8	P470 K522 D523 Y687	F468-P470 HydrophobicContact CE1-CB 4.13Å; F468-P470 HydrophobicContact CE1-CG 4.38Å; F468-K522 HydrophobicContact CE2-CB 4.46Å; F468-K522 WeakPolarHBondContact CE2-O 3.49Å; F468-K522 HydrophobicContact CZ-CB 4.43Å; F468-K522 WeakPolarHBondContact CZ-O 3.35Å; F468-D523 HydrophobicContact CD2-CB 4.3Å; F468-D523 HydrophobicContact CE2-CB 3.98Å; F468-Y687 HydrophobicContact CB-CE1 3.92Å; F468-Y687 HydrophobicContact CD1-CE1 4.41Å; F468-Y687 VanDerWaalsContact CD1-OH 3.32Å; F468-Y687 WeakPolarHBondContact CD1-OH 3.47Å
469	Q	70.3	Confident	69.5	Low	55 Å²	55	61.2 Å²	61.2	26%	0.257	31%	0.313	S	S	.	.			trans	-108.1	106.5	177.6	-68.5	-173.3	-7.3	0	0	109.3	T454 Y467 A524	T454-Q469 HydrophobicContact CG2-CB 4.09Å; Y467-Q469 PolarHBondContact O-N 2.8Å; Q469-A524 HydrophobicContact CB-CB 4.31Å; Q469-A524 WeakPolarHBondContact O-CB 3.06Å; Q469-A524 PolarHBondContact O-N 3.4Å
470	P	75.6	Confident	71.9	Confident	20 Å²	20	56.8 Å²	56.8	13%	0.13	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68.8	136.5	174.8	21.1	-20.4	0	0	0	109.3	F468 I608 V610	F468-P470 HydrophobicContact CE1-CB 4.13Å; F468-P470 HydrophobicContact CE1-CG 4.38Å; P470-I608 HydrophobicContact CG-CD1 3.35Å; P470-V610 HydrophobicContact CB-CG1 4.01Å; P470-V610 HydrophobicContact CG-CG1 3.99Å
471	P	84.6	Confident	74.2	Confident	10 Å²	10	52.9 Å²	52.9	7%	0.065	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67.8	168.9	173.7	33	-37.6	0	0	0	110.2	F452 T475 I521 K522 A524	F452-P471 HydrophobicContact CB-CB 4.04Å; P471-T475 HydrophobicContact CB-CG2 3.93Å; P471-T475 HydrophobicContact CG-CG2 4.28Å; P471-I521 HydrophobicContact CG-CB 4.15Å; P471-I521 HydrophobicContact CG-CG2 4.03Å; P471-I521 VanDerWaalsContact CG-O 3.27Å; P471-I521 WeakPolarHBondContact CG-O 3.34Å; P471-K522 WeakPolarHBondContact CD-O 3.29Å; P471-A524 HydrophobicContact CB-CB 4.17Å
472	I	83.8	Confident	76.6	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.097	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-54.2	148.5	169.8	-70.7	174.6	0	0	0	110.1	I453 A455 T475 V610 D612	I453-I472 HydrophobicContact CB-CD1 4.06Å; I453-I472 HydrophobicContact CG2-CD1 3.44Å; I453-I472 VanDerWaalsContact CG2-CD1 3.44Å; I453-I472 HydrophobicContact CG2-CG1 4.37Å; I453-I472 WeakPolarHBondContact O-CG1 3.38Å; I453-I472 PolarHBondContact O-N 3.37Å; A455-I472 HydrophobicContact CB-CG1 4.34Å; I472-T475 WeakPolarHBondContact O-CB 3.24Å; I472-T475 PolarHBondContact O-N 2.94Å; I472-T475 PolarHBondContact O-OG1 2.8Å; I472-V610 CarbonylContact C-O 3.5Å; I472-V610 VanDerWaalsContact CA-O 3.3Å; I472-V610 WeakPolarHBondContact CA-O 3.09Å; I472-D612 HydrophobicContact CD1-CB 4.32Å; I472-D612 HydrophobicContact CG2-CB 3.81Å
473	S	79.7	Confident	78.8	Confident	17 Å²	17	46.5 Å²	46.5	12%	0.119	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	144.4	173.1	64.4	0	0	0	0	112.3	T475 V610 H617 E621	S473-T475 PolarHBondContact O-N 2.82Å; S473-V610 PolarHBondContact N-O 3.47Å; S473-H617 PolarHBondContact OG-CE1 3.47Å; S473-H617 VanDerWaalsContact OG-CE1 3.27Å; S473-E621 WeakPolarHBondContact CB-O 3.38Å
474	N	81.6	Confident	80.8	Confident	107 Å²	107	40.7 Å²	40.7	57%	0.572	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	27.2	179	-156.1	32.4	0	0	0	114.3	F476 T554	N474-F476 WeakPolarHBondContact O-CD1 3.46Å; N474-F476 WeakPolarHBondContact O-CE1 3.49Å; N474-F476 WeakPolarHBondContact OD1-CD1 3.06Å; N474-F476 WeakPolarHBondContact OD1-CE1 3.47Å; N474-T554 PolarHBondContact O-OG1 2.85Å
475	T	90.2	Very high	82.6	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.018	18%	0.18	C	C	.	.			trans	-78.5	118.2	164.5	-58.1	0	0	0	0	109.3	F452 P471 I472 S473 I521 T554 N555	F452-T475 HydrophobicContact CB-CG2 4.1Å; F452-T475 HydrophobicContact CD1-CG2 3.33Å; F452-T475 HydrophobicContact CE1-CG2 3.86Å; F452-T475 HydrophobicContact CG-CG2 3.81Å; P471-T475 HydrophobicContact CB-CG2 3.93Å; P471-T475 HydrophobicContact CG-CG2 4.28Å; I472-T475 WeakPolarHBondContact O-CB 3.24Å; I472-T475 PolarHBondContact O-N 2.94Å; I472-T475 PolarHBondContact O-OG1 2.8Å; S473-T475 PolarHBondContact O-N 2.82Å; T475-I521 HydrophobicContact CG2-CB 3.8Å; T475-I521 HydrophobicContact CG2-CG1 3.84Å; T475-I521 HydrophobicContact CG2-CG2 4.41Å; T475-I521 PolarHBondContact O-N 3.2Å; T475-T554 WeakPolarHBondContact CA-OG1 3.05Å; T475-N555 HydrophobicContact CG2-CB 4.13Å; T475-N555 WeakPolarHBondContact OG1-CB 3.37Å; T475-N555 PolarHBondContact OG1-ND2 3.21Å
476	F	94	Very high	84.4	Confident	10 Å²	10	40.1 Å²	40.1	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.7	-176.7	61.4	-101.1	0	0	0	112.6	N474 R478 T518 Y519 E552 V553 T554	N474-F476 WeakPolarHBondContact O-CD1 3.46Å; N474-F476 WeakPolarHBondContact O-CE1 3.49Å; N474-F476 WeakPolarHBondContact OD1-CD1 3.06Å; N474-F476 WeakPolarHBondContact OD1-CE1 3.47Å; F476-R478 HydrophobicContact CD2-CB 3.82Å; F476-R478 HydrophobicContact CE2-CB 3.88Å; F476-T518 HydrophobicContact CB-CG2 3.68Å; F476-T518 HydrophobicContact CD1-CG2 4.45Å; F476-T518 HydrophobicContact CD2-CG2 3.82Å; F476-T518 HydrophobicContact CG-CG2 3.73Å; F476-Y519 CarbonylContact C-O 3.51Å; F476-Y519 WeakPolarHBondContact CA-O 3.06Å; F476-Y519 VanDerWaalsContact CB-O 3.29Å; F476-Y519 WeakPolarHBondContact CB-O 3.35Å; F476-E552 HydrophobicContact CE2-CG 4.21Å; F476-V553 WeakPolarHBondContact O-CA 3.4Å; F476-T554 HydrophobicContact CD1-CG2 4.37Å; F476-T554 HydrophobicContact CD2-CG2 4.49Å; F476-T554 HydrophobicContact CE1-CG2 3.77Å; F476-T554 HydrophobicContact CE2-CG2 3.92Å; F476-T554 HydrophobicContact CZ-CG2 3.5Å; F476-T554 PolarHBondContact N-OG1 2.92Å; F476-T554 PolarHBondContact O-N 2.87Å; F476-T554 VanDerWaalsContact O-N 3.09Å
477	V	96	Very high	85.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.6	162.7	175.7	0	0	0	0	107.6	M493 Y519 I521 F529 W531 E552 V553	V477-M493 HydrophobicContact CB-CE 4.02Å; V477-M493 HydrophobicContact CG1-CE 3.57Å; V477-Y519 PolarHBondContact N-O 2.91Å; V477-Y519 PolarHBondContact O-N 2.87Å; V477-I521 HydrophobicContact CG2-CD1 3.9Å; V477-F529 HydrophobicContact CG2-CD1 4.37Å; V477-F529 HydrophobicContact CG2-CD2 3.98Å; V477-F529 HydrophobicContact CG2-CE1 3.99Å; V477-F529 HydrophobicContact CG2-CE2 3.57Å; V477-F529 HydrophobicContact CG2-CG 4.37Å; V477-F529 HydrophobicContact CG2-CZ 3.59Å; V477-W531 HydrophobicContact CG1-CH2 4.4Å; V477-W531 HydrophobicContact CG1-CZ2 3.91Å; V477-E552 CarbonylContact C-O 3.48Å; V477-E552 WeakPolarHBondContact CA-O 2.94Å; V477-V553 HydrophobicContact CG1-CG2 4.25Å; V477-V553 HydrophobicContact CG2-CB 4.43Å; V477-V553 HydrophobicContact CG2-CG1 3.85Å; V477-V553 HydrophobicContact CG2-CG2 3.95Å
478	R	96.4	Very high	86.5	Confident	70 Å²	70	41.3 Å²	41.3	26%	0.264	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.3	178.2	179.2	-177.9	-64.3	152.1	-1.6	109.6	F476 N516 Y517 T518 I551 E552	F476-R478 HydrophobicContact CD2-CB 3.82Å; F476-R478 HydrophobicContact CE2-CB 3.88Å; R478-N516 VanDerWaalsContact CD-OD1 3.31Å; R478-N516 WeakPolarHBondContact CD-OD1 3.3Å; R478-N516 WeakPolarHBondContact CG-OD1 3.31Å; R478-Y517 CarbonylContact C-O 3.55Å; R478-Y517 VanDerWaalsContact CA-O 3.29Å; R478-Y517 WeakPolarHBondContact CA-O 3.28Å; R478-T518 HydrophobicContact CB-CG2 4.49Å; R478-T518 PolarHBondContact NE-OG1 2.89Å; R478-I551 CarbonylContact O-C 3.55Å; R478-I551 WeakPolarHBondContact O-CA 3.24Å; R478-E552 HydrophobicContact CB-CB 4.3Å; R478-E552 IonicContact CZ-OE2 3.65Å; R478-E552 PolarHBondContact N-O 2.86Å; R478-E552 IonicContact NE-OE2 3.19Å; R478-E552 IonicContact NH1-OE2 3.68Å; R478-E552 PolarHBondContact NH1-OE2 2.87Å; R478-E552 PolarHBondContact O-N 2.92Å
479	I	96.4	Very high	87.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.3	173.7	-175.2	167.3	0	0	0	110	F481 F491 M493 Y517 W531 I548 Q550 I551	I479-F481 HydrophobicContact CG1-CD1 4.19Å; I479-F481 HydrophobicContact CG2-CD1 4.2Å; I479-F481 HydrophobicContact CG2-CE1 4.4Å; I479-F491 HydrophobicContact CD1-CE1 4.27Å; I479-F491 HydrophobicContact CD1-CZ 4.08Å; I479-M493 HydrophobicContact CG2-SD 4.47Å; I479-Y517 PolarHBondContact N-O 3.06Å; I479-Y517 PolarHBondContact O-N 2.96Å; I479-W531 VanDerWaalsContact CD1-CD1 3.46Å; I479-W531 HydrophobicContact CD1-CD2 4.1Å; I479-W531 HydrophobicContact CD1-CG 3.95Å; I479-W531 HydrophobicContact CD1-CZ2 4.39Å; I479-W531 VanDerWaalsContact CD1-NE1 3.29Å; I479-I548 HydrophobicContact CD1-CD1 4.21Å; I479-I548 HydrophobicContact CD1-CG1 4.38Å; I479-I548 HydrophobicContact CD1-CG2 4.11Å; I479-I548 HydrophobicContact CG1-CG2 4.14Å; I479-Q550 WeakPolarHBondContact CA-O 3.34Å; I479-I551 HydrophobicContact CD1-CD1 4.4Å; I479-I551 HydrophobicContact CD1-CG1 4.22Å; I479-I551 HydrophobicContact CG1-CG1 4.09Å
480	E	96.7	Very high	88.4	Confident	33 Å²	33	38.8 Å²	38.8	15%	0.154	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121	173.2	-169.9	-179.9	-155.3	0	0	109.8	R514 I515 N516 I548 Y549 Q550	E480-R514 HydrophobicContact CG-CG 4.19Å; E480-R514 IonicContact OE1-CZ 2.84Å; E480-R514 IonicContact OE1-NE 3.35Å; E480-R514 PolarHBondContact OE1-NE 3.32Å; E480-R514 IonicContact OE1-NH2 3.81Å; E480-R514 PolarHBondContact OE1-NH2 3.14Å; E480-R514 IonicContact OE2-CZ 3.96Å; E480-R514 IonicContact OE2-NE 4Å; E480-R514 IonicContact OE2-NH2 3.37Å; E480-R514 PolarHBondContact OE2-NH2 3.45Å; E480-I515 CarbonylContact C-O 3.58Å; E480-I515 VanDerWaalsContact CA-O 3.27Å; E480-I515 WeakPolarHBondContact CA-O 3.15Å; E480-N516 HydrophobicContact CG-CB 4.35Å; E480-I548 CarbonylContact O-C 3.47Å; E480-Y549 HydrophobicContact CG-CD2 4.28Å; E480-Y549 PolarHBondContact O-N 3.1Å; E480-Q550 HydrophobicContact CB-CB 4.09Å; E480-Q550 PolarHBondContact N-O 2.88Å; E480-Q550 PolarHBondContact O-N 2.98Å
481	F	96.5	Very high	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	169.5	-175.3	72	-82.6	0	0	0	113	I479 L483 F491 W508 R514 I515 V546 N547 I548	I479-F481 HydrophobicContact CG1-CD1 4.19Å; I479-F481 HydrophobicContact CG2-CD1 4.2Å; I479-F481 HydrophobicContact CG2-CE1 4.4Å; F481-L483 HydrophobicContact CD2-CD2 4.41Å; F481-L483 HydrophobicContact CD2-CG 4.12Å; F481-L483 HydrophobicContact CE2-CD1 4.02Å; F481-L483 HydrophobicContact CE2-CD2 4.43Å; F481-L483 HydrophobicContact CE2-CG 3.88Å; F481-F491 HydrophobicContact CB-CE1 4.47Å; F481-F491 HydrophobicContact CD1-CD1 4.49Å; F481-F491 AromaticContact CD1-CE1 3.96Å; F481-F491 HydrophobicContact CD1-CE1 3.96Å; F481-F491 AromaticContact CD2-CD1 3.71Å; F481-F491 HydrophobicContact CD2-CD1 3.71Å; F481-F491 AromaticContact CD2-CE1 3.77Å; F481-F491 HydrophobicContact CD2-CE1 3.77Å; F481-F491 HydrophobicContact CE1-CD1 4.32Å; F481-F491 HydrophobicContact CE1-CE1 4.12Å; F481-F491 AromaticContact CE2-CD1 3.52Å; F481-F491 HydrophobicContact CE2-CD1 3.52Å; F481-F491 AromaticContact CE2-CE1 3.95Å; F481-F491 HydrophobicContact CE2-CE1 3.95Å; F481-F491 HydrophobicContact CG-CD1 4.21Å; F481-F491 AromaticContact CG-CE1 3.79Å; F481-F491 HydrophobicContact CG-CE1 3.79Å; F481-F491 AromaticContact CZ-CD1 3.86Å; F481-F491 HydrophobicContact CZ-CD1 3.86Å; F481-F491 HydrophobicContact CZ-CE1 4.12Å; F481-W508 HydrophobicContact CE1-CD2 4.31Å; F481-W508 HydrophobicContact CE1-CE3 4.38Å; F481-W508 HydrophobicContact CE1-CH2 4.16Å; F481-W508 HydrophobicContact CE1-CZ2 4.08Å; F481-W508 HydrophobicContact CE1-CZ3 4.32Å; F481-W508 HydrophobicContact CE2-CD2 4.28Å; F481-W508 HydrophobicContact CE2-CE3 4.43Å; F481-W508 HydrophobicContact CE2-CG 4.34Å; F481-W508 AromaticContact CZ-CD2 3.49Å; F481-W508 HydrophobicContact CZ-CD2 3.49Å; F481-W508 VanDerWaalsContact CZ-CD2 3.49Å; F481-W508 AromaticContact CZ-CE2 3.65Å; F481-W508 AromaticContact CZ-CE3 3.76Å; F481-W508 HydrophobicContact CZ-CE3 3.76Å; F481-W508 AromaticContact CZ-CG 3.85Å; F481-W508 HydrophobicContact CZ-CG 3.85Å; F481-W508 HydrophobicContact CZ-CH2 4.28Å; F481-W508 HydrophobicContact CZ-CZ2 4.06Å; F481-W508 HydrophobicContact CZ-CZ3 4.15Å; F481-R514 CarbonylContact O-C 3.07Å; F481-R514 WeakPolarHBondContact O-CA 3.21Å; F481-I515 HydrophobicContact CE1-CB 4.06Å; F481-I515 HydrophobicContact CE1-CG2 3.84Å; F481-I515 HydrophobicContact CE2-CD1 4.23Å; F481-I515 HydrophobicContact CZ-CB 4.09Å; F481-I515 HydrophobicContact CZ-CD1 3.99Å; F481-I515 HydrophobicContact CZ-CG2 4.06Å; F481-I515 PolarHBondContact N-O 2.85Å; F481-I515 PolarHBondContact O-N 3.09Å; F481-V546 HydrophobicContact CB-CG2 4.29Å; F481-V546 HydrophobicContact CD2-CG2 4.08Å; F481-N547 CarbonylContact C-O 3.5Å; F481-N547 WeakPolarHBondContact CA-O 3.23Å; F481-N547 VanDerWaalsContact CB-O 3.31Å; F481-N547 WeakPolarHBondContact CB-O 3.38Å; F481-I548 HydrophobicContact CB-CG1 4.24Å
482	K	95.8	Very high	89.4	Confident	56 Å²	56	37.5 Å²	37.5	24%	0.243	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.1	173.1	-177.6	-170.8	178.4	-140	0	109.3	D484 S512 N547 Y549	K482-D484 WeakPolarHBondContact CE-OD1 3.37Å; K482-D484 WeakPolarHBondContact CE-OD2 3.37Å; K482-D484 IonicContact NZ-OD1 3.59Å; K482-D484 PolarHBondContact NZ-OD1 2.96Å; K482-D484 IonicContact NZ-OD2 3.37Å; K482-D484 PolarHBondContact NZ-OD2 3.39Å; K482-S512 VanDerWaalsContact CG-O 3.26Å; K482-S512 WeakPolarHBondContact CG-O 3.32Å; K482-N547 PolarHBondContact N-O 3Å; K482-N547 PolarHBondContact O-N 2.91Å; K482-Y549 HydrophobicContact CB-CE2 3.82Å
483	L	93.9	Very high	89.9	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	173.3	-63.3	168.5	0	0	0	110.1	F481 F491 W508 G510 S511 S512 F533 V546	F481-L483 HydrophobicContact CD2-CD2 4.41Å; F481-L483 HydrophobicContact CD2-CG 4.12Å; F481-L483 HydrophobicContact CE2-CD1 4.02Å; F481-L483 HydrophobicContact CE2-CD2 4.43Å; F481-L483 HydrophobicContact CE2-CG 3.88Å; L483-F491 HydrophobicContact CD1-CB 3.95Å; L483-F491 HydrophobicContact CD2-CB 3.48Å; L483-F491 VanDerWaalsContact CD2-CB 3.48Å; L483-F491 HydrophobicContact CD2-CD1 4.43Å; L483-F491 HydrophobicContact CD2-CG 4.04Å; L483-F491 HydrophobicContact CG-CB 4.29Å; L483-W508 HydrophobicContact CD1-CB 3.61Å; L483-G510 WeakPolarHBondContact CB-O 3.48Å; L483-G510 WeakPolarHBondContact CD1-O 3.25Å; L483-S511 CarbonylContact O-C 3.49Å; L483-S511 WeakPolarHBondContact O-CA 3.46Å; L483-S512 WeakPolarHBondContact CB-OG 3.43Å; L483-S512 PolarHBondContact N-OG 3.46Å; L483-S512 VanDerWaalsContact N-OG 3.11Å; L483-S512 PolarHBondContact O-N 2.77Å; L483-S512 VanDerWaalsContact O-O 3.14Å; L483-F533 HydrophobicContact CD2-CD2 4.3Å; L483-F533 HydrophobicContact CD2-CE2 4.26Å; L483-V546 HydrophobicContact CD2-CB 3.68Å; L483-V546 HydrophobicContact CD2-CG2 3.62Å
484	D	91.6	Very high	90.3	Very high	46 Å²	46	37.4 Å²	37.4	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	97.7	177	-77.2	-47.2	0	0	0	108.3	K482 D544 H545 N547	K482-D484 WeakPolarHBondContact CE-OD1 3.37Å; K482-D484 WeakPolarHBondContact CE-OD2 3.37Å; K482-D484 IonicContact NZ-OD1 3.59Å; K482-D484 PolarHBondContact NZ-OD1 2.96Å; K482-D484 IonicContact NZ-OD2 3.37Å; K482-D484 PolarHBondContact NZ-OD2 3.39Å; D484-D544 WeakPolarHBondContact O-CA 3.42Å; D484-H545 PolarHBondContact N-O 2.92Å; D484-H545 PolarHBondContact O-N 2.84Å; D484-H545 IonicContact OD2-NE2 2.77Å; D484-N547 PolarHBondContact OD2-ND2 2.79Å
485	C	87.9	Confident	90.6	Very high	15 Å²	15	32.8 Å²	32.8	10%	0.101	15%	0.151	C	C	.	.			trans	-132.3	126	-173.1	-52.9	0	0	0	0	112.2	C489 S511 D544	C485-C489 HydrophobicContact CB-CB 3.73Å; C485-C489 WeakPolarHBondContact CB-SG 3.02Å; C485-C489 WeakPolarHBondContact SG-CB 3.27Å; C485-C489 CovalentContact SG-SG 1.99Å; C485-C489 PolarHBondContact SG-SG 3.26Å; C485-S511 WeakPolarHBondContact CA-OG 3.33Å; C485-S511 PolarHBondContact N-OG 3.12Å; C485-S511 PolarHBondContact O-OG 2.96Å; C485-D544 WeakPolarHBondContact CA-OD1 3.28Å; C485-D544 HydrophobicContact CB-CB 4.42Å
486	I	83.1	Confident	90.2	Very high	132 Å²	132	33.8 Å²	33.8	68%	0.677	16%	0.157	S	C	*	.	S	Bend	trans	-82.9	-41.4	169	-57.2	171.7	0	0	0	109	Q543 D544	I486-Q543 HydrophobicContact CD1-CB 4.39Å; I486-D544 PolarHBondContact N-OD1 2.82Å
487	G	77.7	Confident	89.1	Confident	17 Å²	17	35.2 Å²	35.2	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-93.6	-168.5	177.9	0	0	0	0	0	114.2	C489 D544	G487-C489 PolarHBondContact O-N 2.8Å; G487-D544 VanDerWaalsContact CA-OD2 3.31Å; G487-D544 WeakPolarHBondContact CA-OD2 3.38Å; G487-D544 PolarHBondContact N-OD1 2.92Å; G487-D544 PolarHBondContact N-OD2 3.17Å; G487-D544 VanDerWaalsContact N-OD2 3.1Å
488	R	80.5	Confident	87.5	Confident	202 Å²	202	41 Å²	41	76%	0.762	20%	0.195	S	C	*	.			trans	-80.1	103.3	170.3	-72.5	-173.9	179.3	168.1	0.3	108.9	P536	R488-P536 WeakPolarHBondContact O-CD 3.48Å
489	C	86.1	Confident	85.3	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.027	20%	0.201	C	C	.	.			trans	-112.2	159	171.4	75.7	0	0	0	0	110.4	C485 G487 G509 G510 F533 D544	C485-C489 HydrophobicContact CB-CB 3.73Å; C485-C489 WeakPolarHBondContact CB-SG 3.02Å; C485-C489 WeakPolarHBondContact SG-CB 3.27Å; C485-C489 CovalentContact SG-SG 1.99Å; C485-C489 PolarHBondContact SG-SG 3.26Å; G487-C489 PolarHBondContact O-N 2.8Å; C489-G509 WeakPolarHBondContact O-CA 3.43Å; C489-G510 PolarHBondContact O-N 3.08Å; C489-F533 HydrophobicContact CB-CE2 3.81Å; C489-F533 HydrophobicContact CB-CZ 3.86Å; C489-D544 HydrophobicContact CB-CB 4.46Å
490	Q	87.4	Confident	83.3	Confident	53 Å²	53	43.4 Å²	43.4	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.3	175.6	179.2	167.9	-68.3	0	0	110	I507 W508 F533 E534 P536	Q490-I507 HydrophobicContact CG-CG2 3.51Å; Q490-W508 WeakPolarHBondContact CA-O 3.2Å; Q490-F533 WeakPolarHBondContact O-CA 3.34Å; Q490-E534 HydrophobicContact CB-CG 3.92Å; Q490-E534 HydrophobicContact CG-CG 4.4Å; Q490-E534 PolarHBondContact N-O 2.8Å; Q490-E534 PolarHBondContact NE2-OE1 2.7Å; Q490-E534 PolarHBondContact O-N 3.26Å; Q490-P536 HydrophobicContact CB-CG 4.42Å
491	F	93	Very high	81.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.3	168.6	-174.6	-122.9	0	0	0	108.5	I479 F481 L483 W508 W531 I532 F533 V546 I548	I479-F491 HydrophobicContact CD1-CE1 4.27Å; I479-F491 HydrophobicContact CD1-CZ 4.08Å; F481-F491 HydrophobicContact CB-CE1 4.47Å; F481-F491 HydrophobicContact CD1-CD1 4.49Å; F481-F491 AromaticContact CD1-CE1 3.96Å; F481-F491 HydrophobicContact CD1-CE1 3.96Å; F481-F491 AromaticContact CD2-CD1 3.71Å; F481-F491 HydrophobicContact CD2-CD1 3.71Å; F481-F491 AromaticContact CD2-CE1 3.77Å; F481-F491 HydrophobicContact CD2-CE1 3.77Å; F481-F491 HydrophobicContact CE1-CD1 4.32Å; F481-F491 HydrophobicContact CE1-CE1 4.12Å; F481-F491 AromaticContact CE2-CD1 3.52Å; F481-F491 HydrophobicContact CE2-CD1 3.52Å; F481-F491 AromaticContact CE2-CE1 3.95Å; F481-F491 HydrophobicContact CE2-CE1 3.95Å; F481-F491 HydrophobicContact CG-CD1 4.21Å; F481-F491 AromaticContact CG-CE1 3.79Å; F481-F491 HydrophobicContact CG-CE1 3.79Å; F481-F491 AromaticContact CZ-CD1 3.86Å; F481-F491 HydrophobicContact CZ-CD1 3.86Å; F481-F491 HydrophobicContact CZ-CE1 4.12Å; L483-F491 HydrophobicContact CD1-CB 3.95Å; L483-F491 HydrophobicContact CD2-CB 3.48Å; L483-F491 VanDerWaalsContact CD2-CB 3.48Å; L483-F491 HydrophobicContact CD2-CD1 4.43Å; L483-F491 HydrophobicContact CD2-CG 4.04Å; L483-F491 HydrophobicContact CG-CB 4.29Å; F491-W508 AromaticContact CD1-CE3 3.66Å; F491-W508 HydrophobicContact CD1-CE3 3.66Å; F491-W508 AromaticContact CD1-CZ3 3.96Å; F491-W508 HydrophobicContact CD1-CZ3 3.96Å; F491-W508 HydrophobicContact CE1-CE3 4.38Å; F491-W508 HydrophobicContact CE1-CZ3 4.25Å; F491-W508 HydrophobicContact CG-CE3 4.42Å; F491-W508 PolarHBondContact N-O 3.29Å; F491-W508 PolarHBondContact O-N 3.32Å; F491-W531 HydrophobicContact CE2-CB 3.78Å; F491-W531 HydrophobicContact CZ-CB 3.74Å; F491-W531 AromaticContact CZ-CD1 3.8Å; F491-W531 HydrophobicContact CZ-CG 4.05Å; F491-I532 CarbonylContact C-O 3.51Å; F491-I532 VanDerWaalsContact CA-O 3.32Å; F491-I532 WeakPolarHBondContact CA-O 3.39Å; F491-F533 HydrophobicContact CB-CD2 4.42Å; F491-F533 HydrophobicContact CD2-CB 4.1Å; F491-V546 HydrophobicContact CD1-CG2 4.27Å; F491-V546 HydrophobicContact CD2-CB 4.34Å; F491-V546 HydrophobicContact CD2-CG1 4.24Å; F491-V546 HydrophobicContact CD2-CG2 4.05Å; F491-V546 HydrophobicContact CE1-CG2 4.24Å; F491-V546 HydrophobicContact CE2-CG1 4.16Å; F491-V546 HydrophobicContact CE2-CG2 4.01Å; F491-V546 HydrophobicContact CG-CG2 4.17Å; F491-V546 HydrophobicContact CZ-CG2 4.1Å; F491-I548 HydrophobicContact CZ-CD1 4.17Å; F491-I548 HydrophobicContact CZ-CG1 4.45Å
492	S	90.1	Very high	79.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.3	-179.4	62.5	0	0	0	0	111.3	A506 W531 I532	S492-A506 CarbonylContact C-O 3.5Å; S492-A506 VanDerWaalsContact CA-O 3.3Å; S492-A506 WeakPolarHBondContact CA-O 3.38Å; S492-W531 CarbonylContact O-C 3.48Å; S492-W531 VanDerWaalsContact O-CA 3.28Å; S492-W531 WeakPolarHBondContact O-CA 3.43Å; S492-I532 PolarHBondContact N-O 2.64Å; S492-I532 PolarHBondContact O-N 3.19Å
493	M	93.4	Very high	78.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.6	170.6	179.3	179.4	179.7	0	0	108.3	V477 I479 I505 A506 W508 Y517 F529 K530 W531	V477-M493 HydrophobicContact CB-CE 4.02Å; V477-M493 HydrophobicContact CG1-CE 3.57Å; I479-M493 HydrophobicContact CG2-SD 4.47Å; M493-I505 HydrophobicContact CB-CB 4.43Å; M493-I505 HydrophobicContact CE-CD1 3.81Å; M493-I505 HydrophobicContact CG-CB 4.19Å; M493-I505 HydrophobicContact CG-CD1 4.1Å; M493-I505 WeakPolarHBondContact O-CB 3.44Å; M493-I505 PolarHBondContact O-N 2.97Å; M493-I505 HydrophobicContact SD-CD1 4.3Å; M493-I505 HydrophobicContact SD-CG2 4.21Å; M493-A506 PolarHBondContact N-O 2.85Å; M493-A506 PolarHBondContact O-N 2.97Å; M493-W508 HydrophobicContact CB-CH2 3.97Å; M493-W508 HydrophobicContact CB-CZ3 3.84Å; M493-Y517 HydrophobicContact SD-CD1 4.22Å; M493-Y517 HydrophobicContact SD-CE1 4.19Å; M493-F529 HydrophobicContact CE-CD1 3.81Å; M493-F529 HydrophobicContact CE-CE1 4.31Å; M493-K530 CarbonylContact C-O 3.56Å; M493-K530 WeakPolarHBondContact CA-O 3.18Å; M493-W531 HydrophobicContact CE-CZ2 4.22Å
494	K	88.6	Confident	77.8	Confident	34 Å²	34	46.8 Å²	46.8	15%	0.148	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.3	-179.4	-52.8	-171	-179.6	-178	0	110.9	E502 Q503 T504 F529 K530 I532	K494-E502 HydrophobicContact CB-CG 4.38Å; K494-E502 HydrophobicContact CD-CG 3.96Å; K494-E502 WeakPolarHBondContact CD-OE1 3.31Å; K494-E502 WeakPolarHBondContact CE-OE1 3.37Å; K494-E502 IonicContact NZ-OE1 2.74Å; K494-E502 PolarHBondContact NZ-OE1 3.25Å; K494-Q503 CarbonylContact C-O 3.5Å; K494-Q503 WeakPolarHBondContact CA-O 3.43Å; K494-T504 HydrophobicContact CG-CG2 4.43Å; K494-F529 CarbonylContact O-C 3.36Å; K494-F529 WeakPolarHBondContact O-CA 3.33Å; K494-K530 HydrophobicContact CB-CB 4.43Å; K494-K530 PolarHBondContact N-O 3.15Å; K494-K530 PolarHBondContact O-N 3.13Å; K494-I532 HydrophobicContact CD-CD1 3.99Å
495	Q	87.1	Confident	77.5	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.2	168.2	63.9	-176.2	-1.5	0	0	110	F497 E502 Q503 I505 Y519 V527 K528 F529	Q495-F497 HydrophobicContact CG-CE2 4Å; Q495-F497 HydrophobicContact CG-CZ 4.2Å; Q495-E502 CarbonylContact O-C 3.58Å; Q495-E502 WeakPolarHBondContact O-CA 3.33Å; Q495-Q503 HydrophobicContact CG-CB 3.76Å; Q495-Q503 HydrophobicContact CG-CG 4.26Å; Q495-Q503 PolarHBondContact N-O 2.88Å; Q495-Q503 PolarHBondContact O-N 3.44Å; Q495-I505 HydrophobicContact CB-CD1 3.89Å; Q495-I505 HydrophobicContact CB-CG1 4.48Å; Q495-I505 HydrophobicContact CG-CD1 4.1Å; Q495-I505 HydrophobicContact CG-CG1 4.21Å; Q495-Y519 PolarHBondContact NE2-OH 2.82Å; Q495-Y519 VanDerWaalsContact NE2-OH 3.15Å; Q495-Y519 PolarHBondContact OE1-OH 3.15Å; Q495-V527 HydrophobicContact CB-CG2 3.84Å; Q495-K528 CarbonylContact C-O 3.56Å; Q495-K528 WeakPolarHBondContact CA-O 3.41Å; Q495-F529 HydrophobicContact CB-CD1 4.13Å; Q495-F529 HydrophobicContact CB-CE1 3.96Å
496	V	82.4	Confident	77.4	Confident	24 Å²	24	45.9 Å²	45.9	15%	0.145	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.1	-179.3	-174.8	0	0	0	0	107.8	N501 E502 V527 K528 K530	V496-N501 CarbonylContact C-O 3.52Å; V496-N501 VanDerWaalsContact CA-O 3.31Å; V496-N501 WeakPolarHBondContact CA-O 3.02Å; V496-E502 HydrophobicContact CG2-CB 4.12Å; V496-E502 HydrophobicContact CG2-CG 3.92Å; V496-V527 CarbonylContact O-C 3.59Å; V496-K528 HydrophobicContact CB-CB 4.25Å; V496-K528 PolarHBondContact N-O 3.34Å; V496-K528 PolarHBondContact O-N 3.08Å; V496-K530 HydrophobicContact CG2-CD 4.16Å; V496-K530 HydrophobicContact CG2-CG 4.22Å
497	F	71.1	Confident	77.7	Confident	40 Å²	40	44.1 Å²	44.1	18%	0.175	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	156.1	175.5	-58.4	-84.1	0	0	0	110.5	Q495 T499 G500 N501 V527	Q495-F497 HydrophobicContact CG-CE2 4Å; Q495-F497 HydrophobicContact CG-CZ 4.2Å; F497-T499 PolarHBondContact O-N 2.96Å; F497-T499 VanDerWaalsContact O-N 3.08Å; F497-G500 PolarHBondContact O-N 2.86Å; F497-N501 HydrophobicContact CB-CB 4.2Å; F497-N501 HydrophobicContact CD2-CB 3.96Å; F497-N501 WeakPolarHBondContact CD2-O 3.4Å; F497-N501 PolarHBondContact N-O 2.64Å; F497-V527 HydrophobicContact CD1-CG2 4.29Å; F497-V527 HydrophobicContact CE1-CG2 4.36Å
498	D	61	Low	78.3	Confident	123 Å²	123	45.1 Å²	45.1	66%	0.658	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.2	179.7	-173.2	49.4	0	0	0	113.2	G500 E526	D498-G500 PolarHBondContact O-N 3.09Å; D498-E526 HydrophobicContact CB-CB 4.3Å; D498-E526 HydrophobicContact CB-CG 4.16Å
499	T	51.8	Low	78.6	Confident	63 Å²	63	38.5 Å²	38.5	39%	0.387	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	0.7	171.7	56.7	0	0	0	0	114.8	F497 N501 N706	F497-T499 PolarHBondContact O-N 2.96Å; F497-T499 VanDerWaalsContact O-N 3.08Å; T499-N501 VanDerWaalsContact C-N 3.27Å; T499-N501 PolarHBondContact OG1-ND2 2.96Å; T499-N706 HydrophobicContact CG2-CB 4.27Å
500	G	53.9	Low	78.5	Confident	56 Å²	56	39.4 Å²	39.4	58%	0.577	24%	0.238	S	C	*	.	S	Bend	trans	81.5	4	-174.9	0	0	0	0	0	113.7	F497 D498 E502	F497-G500 PolarHBondContact O-N 2.86Å; D498-G500 PolarHBondContact O-N 3.09Å; G500-E502 PolarHBondContact O-N 3.43Å
501	N	54	Low	78.6	Confident	20 Å²	20	40.5 Å²	40.5	11%	0.107	25%	0.252	C	S	.	.			trans	-75.4	106.8	-177.3	-78	-6	0	0	0	110.8	V496 F497 T499 N706 R731	V496-N501 CarbonylContact C-O 3.52Å; V496-N501 VanDerWaalsContact CA-O 3.31Å; V496-N501 WeakPolarHBondContact CA-O 3.02Å; F497-N501 HydrophobicContact CB-CB 4.2Å; F497-N501 HydrophobicContact CD2-CB 3.96Å; F497-N501 WeakPolarHBondContact CD2-O 3.4Å; F497-N501 PolarHBondContact N-O 2.64Å; T499-N501 VanDerWaalsContact C-N 3.27Å; T499-N501 PolarHBondContact OG1-ND2 2.96Å; N501-N706 PolarHBondContact ND2-O 2.8Å; N501-R731 PolarHBondContact ND2-NH1 3.24Å; N501-R731 WeakPolarHBondContact OD1-CD 3.07Å; N501-R731 PolarHBondContact OD1-NH1 2.78Å; N501-R731 VanDerWaalsContact OD1-NH1 3.15Å
502	E	65.7	Low	78.4	Confident	74 Å²	74	41.6 Å²	41.6	35%	0.346	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.9	171.3	-174.8	171.2	-178.9	0	0	110.2	K494 Q495 V496 G500 R731	K494-E502 HydrophobicContact CB-CG 4.38Å; K494-E502 HydrophobicContact CD-CG 3.96Å; K494-E502 WeakPolarHBondContact CD-OE1 3.31Å; K494-E502 WeakPolarHBondContact CE-OE1 3.37Å; K494-E502 IonicContact NZ-OE1 2.74Å; K494-E502 PolarHBondContact NZ-OE1 3.25Å; Q495-E502 CarbonylContact O-C 3.58Å; Q495-E502 WeakPolarHBondContact O-CA 3.33Å; V496-E502 HydrophobicContact CG2-CB 4.12Å; V496-E502 HydrophobicContact CG2-CG 3.92Å; G500-E502 PolarHBondContact O-N 3.43Å; E502-R731 PolarHBondContact O-NH2 2.78Å
503	Q	69.5	Low	78.5	Confident	28 Å²	28	48.2 Å²	48.2	13%	0.131	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.3	174.6	170.4	174.8	7.2	0	0	109.4	K494 Q495 I505 D777	K494-Q503 CarbonylContact C-O 3.5Å; K494-Q503 WeakPolarHBondContact CA-O 3.43Å; Q495-Q503 HydrophobicContact CG-CB 3.76Å; Q495-Q503 HydrophobicContact CG-CG 4.26Å; Q495-Q503 PolarHBondContact N-O 2.88Å; Q495-Q503 PolarHBondContact O-N 3.44Å; Q503-I505 PolarHBondContact O-N 2.94Å; Q503-D777 VanDerWaalsContact CD-CB 3.48Å; Q503-D777 HydrophobicContact CG-CB 4.04Å; Q503-D777 VanDerWaalsContact NE2-CB 3.25Å; Q503-D777 VanDerWaalsContact NE2-CG 3.28Å; Q503-D777 PolarHBondContact NE2-OD2 2.9Å
504	T	78.2	Confident	78.5	Confident	39 Å²	39	55 Å²	55	24%	0.239	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.9	172.1	-56.7	0	0	0	0	109.7	K494 I507	K494-T504 HydrophobicContact CG-CG2 4.43Å; T504-I507 HydrophobicContact CG2-CD1 3.93Å; T504-I507 HydrophobicContact CG2-CG1 3.55Å
505	I	84.9	Confident	78.9	Confident	26 Å²	26	55.5 Å²	55.5	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-46.8	178.9	-68.4	169	0	0	0	110	M493 Q495 Q503 Y517 Y519 F529	M493-I505 HydrophobicContact CB-CB 4.43Å; M493-I505 HydrophobicContact CE-CD1 3.81Å; M493-I505 HydrophobicContact CG-CB 4.19Å; M493-I505 HydrophobicContact CG-CD1 4.1Å; M493-I505 WeakPolarHBondContact O-CB 3.44Å; M493-I505 PolarHBondContact O-N 2.97Å; M493-I505 HydrophobicContact SD-CD1 4.3Å; M493-I505 HydrophobicContact SD-CG2 4.21Å; Q495-I505 HydrophobicContact CB-CD1 3.89Å; Q495-I505 HydrophobicContact CB-CG1 4.48Å; Q495-I505 HydrophobicContact CG-CD1 4.1Å; Q495-I505 HydrophobicContact CG-CG1 4.21Å; Q503-I505 PolarHBondContact O-N 2.94Å; I505-Y517 HydrophobicContact CG2-CE1 3.9Å; I505-Y519 HydrophobicContact CB-CD2 4.48Å; I505-Y519 HydrophobicContact CD1-CD1 3.69Å; I505-Y519 HydrophobicContact CD1-CD2 4.34Å; I505-Y519 HydrophobicContact CD1-CE1 3.68Å; I505-Y519 HydrophobicContact CD1-CE2 4.31Å; I505-Y519 HydrophobicContact CD1-CG 4.03Å; I505-Y519 HydrophobicContact CG1-CD1 4.49Å; I505-Y519 HydrophobicContact CG1-CD2 4.34Å; I505-Y519 HydrophobicContact CG1-CE1 4.26Å; I505-Y519 HydrophobicContact CG1-CE2 4.09Å; I505-Y519 HydrophobicContact CG2-CD2 3.37Å; I505-Y519 HydrophobicContact CG2-CE2 3.8Å; I505-Y519 HydrophobicContact CG2-CG 3.78Å; I505-F529 HydrophobicContact CD1-CD1 4.17Å; I505-F529 HydrophobicContact CD1-CE1 4.09Å
506	A	86.5	Confident	79.3	Confident	17 Å²	17	59.6 Å²	59.6	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	151.2	-177.4	0	0	0	0	0	111.3	S492 M493 W508 Y517	S492-A506 CarbonylContact C-O 3.5Å; S492-A506 VanDerWaalsContact CA-O 3.3Å; S492-A506 WeakPolarHBondContact CA-O 3.38Å; M493-A506 PolarHBondContact N-O 2.85Å; M493-A506 PolarHBondContact O-N 2.97Å; A506-W508 HydrophobicContact CB-CE3 4.45Å; A506-W508 HydrophobicContact CB-CH2 3.39Å; A506-W508 HydrophobicContact CB-CZ2 3.43Å; A506-W508 VanDerWaalsContact CB-CZ2 3.43Å; A506-W508 HydrophobicContact CB-CZ3 3.93Å; A506-Y517 HydrophobicContact CB-CE1 4.25Å
507	I	88.3	Confident	80	Confident	94 Å²	94	61.7 Å²	61.7	48%	0.482	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132	174.9	-54.1	177.7	0	0	0	107.9	Q490 T504	Q490-I507 HydrophobicContact CG-CG2 3.51Å; T504-I507 HydrophobicContact CG2-CD1 3.93Å; T504-I507 HydrophobicContact CG2-CG1 3.55Å
508	W	90.5	Very high	81.1	Confident	39 Å²	39	61.8 Å²	61.8	15%	0.148	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.8	175.5	-58.4	-85.7	0	0	0	108.8	F481 L483 Q490 F491 M493 A506 Y517	F481-W508 HydrophobicContact CE1-CD2 4.31Å; F481-W508 HydrophobicContact CE1-CE3 4.38Å; F481-W508 HydrophobicContact CE1-CH2 4.16Å; F481-W508 HydrophobicContact CE1-CZ2 4.08Å; F481-W508 HydrophobicContact CE1-CZ3 4.32Å; F481-W508 HydrophobicContact CE2-CD2 4.28Å; F481-W508 HydrophobicContact CE2-CE3 4.43Å; F481-W508 HydrophobicContact CE2-CG 4.34Å; F481-W508 AromaticContact CZ-CD2 3.49Å; F481-W508 HydrophobicContact CZ-CD2 3.49Å; F481-W508 VanDerWaalsContact CZ-CD2 3.49Å; F481-W508 AromaticContact CZ-CE2 3.65Å; F481-W508 AromaticContact CZ-CE3 3.76Å; F481-W508 HydrophobicContact CZ-CE3 3.76Å; F481-W508 AromaticContact CZ-CG 3.85Å; F481-W508 HydrophobicContact CZ-CG 3.85Å; F481-W508 HydrophobicContact CZ-CH2 4.28Å; F481-W508 HydrophobicContact CZ-CZ2 4.06Å; F481-W508 HydrophobicContact CZ-CZ3 4.15Å; L483-W508 HydrophobicContact CD1-CB 3.61Å; Q490-W508 WeakPolarHBondContact CA-O 3.2Å; F491-W508 AromaticContact CD1-CE3 3.66Å; F491-W508 HydrophobicContact CD1-CE3 3.66Å; F491-W508 AromaticContact CD1-CZ3 3.96Å; F491-W508 HydrophobicContact CD1-CZ3 3.96Å; F491-W508 HydrophobicContact CE1-CE3 4.38Å; F491-W508 HydrophobicContact CE1-CZ3 4.25Å; F491-W508 HydrophobicContact CG-CE3 4.42Å; F491-W508 PolarHBondContact N-O 3.29Å; F491-W508 PolarHBondContact O-N 3.32Å; M493-W508 HydrophobicContact CB-CH2 3.97Å; M493-W508 HydrophobicContact CB-CZ3 3.84Å; A506-W508 HydrophobicContact CB-CE3 4.45Å; A506-W508 HydrophobicContact CB-CH2 3.39Å; A506-W508 HydrophobicContact CB-CZ2 3.43Å; A506-W508 VanDerWaalsContact CB-CZ2 3.43Å; A506-W508 HydrophobicContact CB-CZ3 3.93Å; W508-Y517 AromaticContact CH2-CD1 3.93Å; W508-Y517 HydrophobicContact CH2-CD1 3.93Å; W508-Y517 HydrophobicContact CH2-CE1 4.28Å; W508-Y517 HydrophobicContact CH2-CG 4.16Å; W508-Y517 AromaticContact CZ2-CD1 3.85Å; W508-Y517 HydrophobicContact CZ2-CD1 3.85Å; W508-Y517 AromaticContact CZ2-CD2 3.85Å; W508-Y517 HydrophobicContact CZ2-CD2 3.85Å; W508-Y517 HydrophobicContact CZ2-CE1 4.24Å; W508-Y517 HydrophobicContact CZ2-CE2 4.25Å; W508-Y517 AromaticContact CZ2-CG 3.64Å; W508-Y517 HydrophobicContact CZ2-CG 3.64Å
509	G	86.3	Confident	82.7	Confident	62 Å²	62	57.1 Å²	57.1	64%	0.639	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.3	178.1	0	0	0	0	0	111.8	C489	C489-G509 WeakPolarHBondContact O-CA 3.43Å
510	G	84.6	Confident	84.6	Confident	23 Å²	23	59 Å²	59	24%	0.237	33%	0.334	C	S	.	.	S	Bend	trans	75.7	-175.7	177.5	0	0	0	0	0	114.7	L483 C489	L483-G510 WeakPolarHBondContact CB-O 3.48Å; L483-G510 WeakPolarHBondContact CD1-O 3.25Å; C489-G510 PolarHBondContact O-N 3.08Å
511	S	90.2	Very high	86.3	Confident	76 Å²	76	57.1 Å²	57.1	53%	0.531	31%	0.31	S	S	.	.			trans	-64	139.8	178.4	-82.6	0	0	0	0	112.2	L483 C485	L483-S511 CarbonylContact O-C 3.49Å; L483-S511 WeakPolarHBondContact O-CA 3.46Å; C485-S511 WeakPolarHBondContact CA-OG 3.33Å; C485-S511 PolarHBondContact N-OG 3.12Å; C485-S511 PolarHBondContact O-OG 2.96Å
512	S	89	Confident	87.5	Confident	24 Å²	24	61.6 Å²	61.6	17%	0.168	33%	0.329	C	S	.	.			trans	-136.8	152.6	177.5	71.4	0	0	0	0	111.9	K482 L483	K482-S512 VanDerWaalsContact CG-O 3.26Å; K482-S512 WeakPolarHBondContact CG-O 3.32Å; L483-S512 WeakPolarHBondContact CB-OG 3.43Å; L483-S512 PolarHBondContact N-OG 3.46Å; L483-S512 VanDerWaalsContact N-OG 3.11Å; L483-S512 PolarHBondContact O-N 2.77Å; L483-S512 VanDerWaalsContact O-O 3.14Å
513	N	92	Very high	88.1	Confident	141 Å²	141	60.3 Å²	60.3	75%	0.754	32%	0.324	S	S	*	.			trans	-69.2	174.5	165.2	-70.5	-36.7	0	0	0	110.2	I515	N513-I515 WeakPolarHBondContact O-CG1 3.26Å; N513-I515 PolarHBondContact O-N 3.5Å; N513-I515 VanDerWaalsContact O-N 3.08Å
514	R	93.8	Very high	88.8	Confident	141 Å²	141	59.3 Å²	59.3	53%	0.532	32%	0.321	S	S	.	.			trans	-58.6	115.9	175.2	-169.9	167.5	175.6	165.7	1.3	110.1	E480 F481 Y549	E480-R514 HydrophobicContact CG-CG 4.19Å; E480-R514 IonicContact OE1-CZ 2.84Å; E480-R514 IonicContact OE1-NE 3.35Å; E480-R514 PolarHBondContact OE1-NE 3.32Å; E480-R514 IonicContact OE1-NH2 3.81Å; E480-R514 PolarHBondContact OE1-NH2 3.14Å; E480-R514 IonicContact OE2-CZ 3.96Å; E480-R514 IonicContact OE2-NE 4Å; E480-R514 IonicContact OE2-NH2 3.37Å; E480-R514 PolarHBondContact OE2-NH2 3.45Å; F481-R514 CarbonylContact O-C 3.07Å; F481-R514 WeakPolarHBondContact O-CA 3.21Å; R514-Y549 HydrophobicContact CG-CD2 4.15Å; R514-Y549 HydrophobicContact CG-CE2 3.99Å
515	I	95.2	Very high	88.8	Confident	46 Å²	46	59.6 Å²	59.6	24%	0.236	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.7	179.5	-69.4	165.7	0	0	0	108	E480 F481 N513	E480-I515 CarbonylContact C-O 3.58Å; E480-I515 VanDerWaalsContact CA-O 3.27Å; E480-I515 WeakPolarHBondContact CA-O 3.15Å; F481-I515 HydrophobicContact CE1-CB 4.06Å; F481-I515 HydrophobicContact CE1-CG2 3.84Å; F481-I515 HydrophobicContact CE2-CD1 4.23Å; F481-I515 HydrophobicContact CZ-CB 4.09Å; F481-I515 HydrophobicContact CZ-CD1 3.99Å; F481-I515 HydrophobicContact CZ-CG2 4.06Å; F481-I515 PolarHBondContact N-O 2.85Å; F481-I515 PolarHBondContact O-N 3.09Å; N513-I515 WeakPolarHBondContact O-CG1 3.26Å; N513-I515 PolarHBondContact O-N 3.5Å; N513-I515 VanDerWaalsContact O-N 3.08Å
516	N	96.2	Very high	88.7	Confident	95 Å²	95	62.1 Å²	62.1	51%	0.508	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101.4	166.5	-175.4	2.1	0	0	0	108	R478 E480	R478-N516 VanDerWaalsContact CD-OD1 3.31Å; R478-N516 WeakPolarHBondContact CD-OD1 3.3Å; R478-N516 WeakPolarHBondContact CG-OD1 3.31Å; E480-N516 HydrophobicContact CG-CB 4.35Å
517	Y	96.6	Very high	88.8	Confident	68 Å²	68	61.7 Å²	61.7	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.3	-176.5	-176	-102.2	0	0	0	110.1	R478 I479 M493 I505 A506 W508	R478-Y517 CarbonylContact C-O 3.55Å; R478-Y517 VanDerWaalsContact CA-O 3.29Å; R478-Y517 WeakPolarHBondContact CA-O 3.28Å; I479-Y517 PolarHBondContact N-O 3.06Å; I479-Y517 PolarHBondContact O-N 2.96Å; M493-Y517 HydrophobicContact SD-CD1 4.22Å; M493-Y517 HydrophobicContact SD-CE1 4.19Å; I505-Y517 HydrophobicContact CG2-CE1 3.9Å; A506-Y517 HydrophobicContact CB-CE1 4.25Å; W508-Y517 AromaticContact CH2-CD1 3.93Å; W508-Y517 HydrophobicContact CH2-CD1 3.93Å; W508-Y517 HydrophobicContact CH2-CE1 4.28Å; W508-Y517 HydrophobicContact CH2-CG 4.16Å; W508-Y517 AromaticContact CZ2-CD1 3.85Å; W508-Y517 HydrophobicContact CZ2-CD1 3.85Å; W508-Y517 AromaticContact CZ2-CD2 3.85Å; W508-Y517 HydrophobicContact CZ2-CD2 3.85Å; W508-Y517 HydrophobicContact CZ2-CE1 4.24Å; W508-Y517 HydrophobicContact CZ2-CE2 4.25Å; W508-Y517 AromaticContact CZ2-CG 3.64Å; W508-Y517 HydrophobicContact CZ2-CG 3.64Å
518	T	95.8	Very high	89	Confident	43 Å²	43	60.4 Å²	60.4	26%	0.264	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.5	177.1	-58.6	0	0	0	0	109.1	F476 R478	F476-T518 HydrophobicContact CB-CG2 3.68Å; F476-T518 HydrophobicContact CD1-CG2 4.45Å; F476-T518 HydrophobicContact CD2-CG2 3.82Å; F476-T518 HydrophobicContact CG-CG2 3.73Å; R478-T518 HydrophobicContact CB-CG2 4.49Å; R478-T518 PolarHBondContact NE-OG1 2.89Å
519	Y	94.7	Very high	89.2	Confident	25 Å²	25	58.5 Å²	58.5	10%	0.098	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.1	172.5	178.3	-109.8	0	0	0	109.5	F476 V477 Q495 I505 I521 F529	F476-Y519 CarbonylContact C-O 3.51Å; F476-Y519 WeakPolarHBondContact CA-O 3.06Å; F476-Y519 VanDerWaalsContact CB-O 3.29Å; F476-Y519 WeakPolarHBondContact CB-O 3.35Å; V477-Y519 PolarHBondContact N-O 2.91Å; V477-Y519 PolarHBondContact O-N 2.87Å; Q495-Y519 PolarHBondContact NE2-OH 2.82Å; Q495-Y519 VanDerWaalsContact NE2-OH 3.15Å; Q495-Y519 PolarHBondContact OE1-OH 3.15Å; I505-Y519 HydrophobicContact CB-CD2 4.48Å; I505-Y519 HydrophobicContact CD1-CD1 3.69Å; I505-Y519 HydrophobicContact CD1-CD2 4.34Å; I505-Y519 HydrophobicContact CD1-CE1 3.68Å; I505-Y519 HydrophobicContact CD1-CE2 4.31Å; I505-Y519 HydrophobicContact CD1-CG 4.03Å; I505-Y519 HydrophobicContact CG1-CD1 4.49Å; I505-Y519 HydrophobicContact CG1-CD2 4.34Å; I505-Y519 HydrophobicContact CG1-CE1 4.26Å; I505-Y519 HydrophobicContact CG1-CE2 4.09Å; I505-Y519 HydrophobicContact CG2-CD2 3.37Å; I505-Y519 HydrophobicContact CG2-CE2 3.8Å; I505-Y519 HydrophobicContact CG2-CG 3.78Å; Y519-I521 HydrophobicContact CD1-CD1 3.68Å; Y519-I521 HydrophobicContact CE1-CD1 3.76Å; Y519-F529 HydrophobicContact CD1-CE1 4.39Å; Y519-F529 HydrophobicContact CE1-CE1 4.49Å
520	H	90.4	Very high	89.5	Confident	103 Å²	103	57.5 Å²	57.5	48%	0.477	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.6	175.7	-70.9	-85	0	0	0	110.4
521	I	89.4	Confident	90	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.077	28%	0.282	C	S	.	.			trans	-73.8	133.2	-178.7	-56.4	-51	0	0	0	109.2	F452 P471 T475 V477 Y519 D523 F529	F452-I521 HydrophobicContact CD2-CG2 3.72Å; F452-I521 HydrophobicContact CE1-CG1 4.02Å; F452-I521 HydrophobicContact CE2-CB 4.47Å; F452-I521 HydrophobicContact CE2-CD1 4.39Å; F452-I521 HydrophobicContact CE2-CG1 4.06Å; F452-I521 HydrophobicContact CE2-CG2 3.67Å; F452-I521 HydrophobicContact CG-CG2 4.3Å; F452-I521 HydrophobicContact CZ-CD1 4.07Å; F452-I521 HydrophobicContact CZ-CG1 3.72Å; F452-I521 HydrophobicContact CZ-CG2 4.22Å; P471-I521 HydrophobicContact CG-CB 4.15Å; P471-I521 HydrophobicContact CG-CG2 4.03Å; P471-I521 VanDerWaalsContact CG-O 3.27Å; P471-I521 WeakPolarHBondContact CG-O 3.34Å; T475-I521 HydrophobicContact CG2-CB 3.8Å; T475-I521 HydrophobicContact CG2-CG1 3.84Å; T475-I521 HydrophobicContact CG2-CG2 4.41Å; T475-I521 PolarHBondContact O-N 3.2Å; V477-I521 HydrophobicContact CG2-CD1 3.9Å; Y519-I521 HydrophobicContact CD1-CD1 3.68Å; Y519-I521 HydrophobicContact CE1-CD1 3.76Å; I521-D523 WeakPolarHBondContact CG2-O 3.42Å; I521-F529 HydrophobicContact CD1-CE1 4.1Å; I521-F529 HydrophobicContact CD1-CZ 3.57Å
522	K	79.3	Confident	90.1	Very high	114 Å²	114	53.7 Å²	53.7	50%	0.496	26%	0.261	S	S	.	.			trans	-98.8	-34	-179.6	-62.5	-177.8	-179.2	179.6	0	112.3	F468 P471	F468-K522 HydrophobicContact CE2-CB 4.46Å; F468-K522 WeakPolarHBondContact CE2-O 3.49Å; F468-K522 HydrophobicContact CZ-CB 4.43Å; F468-K522 WeakPolarHBondContact CZ-O 3.35Å; P471-K522 WeakPolarHBondContact CD-O 3.29Å
523	D	78.8	Confident	90.2	Very high	48 Å²	48	52.5 Å²	52.5	26%	0.257	25%	0.253	S	S	.	.			trans	-121.7	135.7	-176.6	-174.3	-2.4	0	0	0	109.8	F468 I521 S525	F468-D523 HydrophobicContact CD2-CB 4.3Å; F468-D523 HydrophobicContact CE2-CB 3.98Å; I521-D523 WeakPolarHBondContact CG2-O 3.42Å; D523-S525 VanDerWaalsContact C-N 3.28Å; D523-S525 PolarHBondContact O-N 3.5Å; D523-S525 PolarHBondContact OD1-N 2.94Å; D523-S525 PolarHBondContact OD1-OG 3.3Å; D523-S525 PolarHBondContact OD2-OG 2.9Å
524	A	83.3	Confident	90	Very high	7 Å²	7	48 Å²	48	6%	0.058	23%	0.227	C	C	.	.			trans	-82.7	1.4	179.6	0	0	0	0	0	114.4	G451 F452 T454 Q469 P471	G451-A524 CarbonylContact C-O 3.5Å; G451-A524 VanDerWaalsContact CA-O 3.27Å; G451-A524 WeakPolarHBondContact CA-O 3.39Å; F452-A524 HydrophobicContact CB-CB 4.2Å; F452-A524 PolarHBondContact N-O 2.94Å; T454-A524 HydrophobicContact CG2-CB 3.41Å; T454-A524 VanDerWaalsContact CG2-CB 3.41Å; Q469-A524 HydrophobicContact CB-CB 4.31Å; Q469-A524 WeakPolarHBondContact O-CB 3.06Å; Q469-A524 PolarHBondContact O-N 3.4Å; P471-A524 HydrophobicContact CB-CB 4.17Å
525	S	79.3	Confident	89.4	Confident	44 Å²	44	41.5 Å²	41.5	31%	0.308	20%	0.203	S	C	.	.	S	Bend	trans	-65.1	167.9	178.9	61.1	0	0	0	0	114.7	G451 D523 V527	G451-S525 WeakPolarHBondContact CA-O 3.05Å; D523-S525 VanDerWaalsContact C-N 3.28Å; D523-S525 PolarHBondContact O-N 3.5Å; D523-S525 PolarHBondContact OD1-N 2.94Å; D523-S525 PolarHBondContact OD1-OG 3.3Å; D523-S525 PolarHBondContact OD2-OG 2.9Å; S525-V527 PolarHBondContact O-N 2.79Å
526	E	83.2	Confident	88.1	Confident	80 Å²	80	42.1 Å²	42.1	37%	0.374	21%	0.21	S	C	.	.			trans	-58	132.8	174.2	175	166.3	-168.2	0	0	111.1	K449 D498	K449-E526 WeakPolarHBondContact CA-OE1 3.32Å; K449-E526 VanDerWaalsContact O-CB 3.31Å; K449-E526 WeakPolarHBondContact O-CB 3.47Å; K449-E526 VanDerWaalsContact O-CG 3.25Å; K449-E526 WeakPolarHBondContact O-CG 2.96Å; D498-E526 HydrophobicContact CB-CB 4.3Å; D498-E526 HydrophobicContact CB-CG 4.16Å
527	V	88.2	Confident	86.6	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.9	-177	70.5	0	0	0	0	112	I448 F452 Q495 V496 F497 S525 F529	I448-V527 CarbonylContact C-O 3.51Å; I448-V527 VanDerWaalsContact CA-O 3.31Å; I448-V527 WeakPolarHBondContact CA-O 3.35Å; I448-V527 HydrophobicContact CB-CG1 4.07Å; I448-V527 VanDerWaalsContact CB-O 3.27Å; I448-V527 WeakPolarHBondContact CB-O 3.4Å; I448-V527 HydrophobicContact CG1-CG1 4.41Å; I448-V527 PolarHBondContact N-O 2.8Å; I448-V527 PolarHBondContact O-N 2.8Å; I448-V527 VanDerWaalsContact O-N 3.15Å; F452-V527 HydrophobicContact CE2-CG1 3.63Å; F452-V527 HydrophobicContact CZ-CG1 4.2Å; Q495-V527 HydrophobicContact CB-CG2 3.84Å; V496-V527 CarbonylContact O-C 3.59Å; F497-V527 HydrophobicContact CD1-CG2 4.29Å; F497-V527 HydrophobicContact CE1-CG2 4.36Å; S525-V527 PolarHBondContact O-N 2.79Å; V527-F529 HydrophobicContact CG1-CD2 4.42Å; V527-F529 HydrophobicContact CG1-CE2 3.54Å; V527-F529 HydrophobicContact CG1-CZ 3.73Å; V527-F529 HydrophobicContact CG2-CZ 4.23Å
528	K	91.4	Very high	84.6	Confident	67 Å²	67	40.9 Å²	40.9	29%	0.291	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.8	171.1	177.7	-168.6	-58.5	-174.9	0	109.9	E445 L446 P447 Q495 V496 K530	E445-K528 HydrophobicContact CB-CD 4.46Å; E445-K528 IonicContact OE2-NZ 2.65Å; L446-K528 WeakPolarHBondContact O-CA 3.23Å; P447-K528 HydrophobicContact CB-CG 4.47Å; Q495-K528 CarbonylContact C-O 3.56Å; Q495-K528 WeakPolarHBondContact CA-O 3.41Å; V496-K528 HydrophobicContact CB-CB 4.25Å; V496-K528 PolarHBondContact N-O 3.34Å; V496-K528 PolarHBondContact O-N 3.08Å; K528-K530 HydrophobicContact CD-CG 4.46Å
529	F	94.8	Very high	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.9	172.1	-62	-79	0	0	0	110.4	E445 L446 I448 F452 V477 M493 K494 Q495 I505 Y519 I521 V527 W531	E445-F529 CarbonylContact C-O 3.52Å; E445-F529 WeakPolarHBondContact CA-O 3.39Å; L446-F529 HydrophobicContact CB-CB 4.4Å; L446-F529 PolarHBondContact N-O 2.75Å; L446-F529 PolarHBondContact O-N 3.37Å; I448-F529 HydrophobicContact CG1-CD2 4.14Å; I448-F529 HydrophobicContact CG1-CE2 4.02Å; F452-F529 HydrophobicContact CZ-CE2 4.02Å; F452-F529 HydrophobicContact CZ-CZ 4.24Å; V477-F529 HydrophobicContact CG2-CD1 4.37Å; V477-F529 HydrophobicContact CG2-CD2 3.98Å; V477-F529 HydrophobicContact CG2-CE1 3.99Å; V477-F529 HydrophobicContact CG2-CE2 3.57Å; V477-F529 HydrophobicContact CG2-CG 4.37Å; V477-F529 HydrophobicContact CG2-CZ 3.59Å; M493-F529 HydrophobicContact CE-CD1 3.81Å; M493-F529 HydrophobicContact CE-CE1 4.31Å; K494-F529 CarbonylContact O-C 3.36Å; K494-F529 WeakPolarHBondContact O-CA 3.33Å; Q495-F529 HydrophobicContact CB-CD1 4.13Å; Q495-F529 HydrophobicContact CB-CE1 3.96Å; I505-F529 HydrophobicContact CD1-CD1 4.17Å; I505-F529 HydrophobicContact CD1-CE1 4.09Å; Y519-F529 HydrophobicContact CD1-CE1 4.39Å; Y519-F529 HydrophobicContact CE1-CE1 4.49Å; I521-F529 HydrophobicContact CD1-CE1 4.1Å; I521-F529 HydrophobicContact CD1-CZ 3.57Å; V527-F529 HydrophobicContact CG1-CD2 4.42Å; V527-F529 HydrophobicContact CG1-CE2 3.54Å; V527-F529 HydrophobicContact CG1-CZ 3.73Å; V527-F529 HydrophobicContact CG2-CZ 4.23Å; F529-W531 HydrophobicContact CB-CH2 3.89Å; F529-W531 HydrophobicContact CB-CZ2 4.26Å; F529-W531 HydrophobicContact CB-CZ3 4.16Å
530	K	92.9	Very high	81.1	Confident	41 Å²	41	47.6 Å²	47.6	18%	0.178	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.8	173.6	-60.1	-164.6	-176.8	-152	0	110.1	I443 L444 E445 M493 K494 V496 K528 I532	I443-K530 HydrophobicContact CG2-CD 4.47Å; L444-K530 CarbonylContact O-C 3.58Å; L444-K530 WeakPolarHBondContact O-CA 3.45Å; E445-K530 HydrophobicContact CG-CD 4.46Å; E445-K530 HydrophobicContact CG-CG 4.2Å; E445-K530 WeakPolarHBondContact OE1-CE 3.14Å; E445-K530 IonicContact OE1-NZ 2.64Å; E445-K530 PolarHBondContact OE1-NZ 3.49Å; M493-K530 CarbonylContact C-O 3.56Å; M493-K530 WeakPolarHBondContact CA-O 3.18Å; K494-K530 HydrophobicContact CB-CB 4.43Å; K494-K530 PolarHBondContact N-O 3.15Å; K494-K530 PolarHBondContact O-N 3.13Å; V496-K530 HydrophobicContact CG2-CD 4.16Å; V496-K530 HydrophobicContact CG2-CG 4.22Å; K528-K530 HydrophobicContact CD-CG 4.46Å; K530-I532 HydrophobicContact CB-CG1 4.41Å
531	W	95.3	Very high	79.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.1	166.7	-62.4	-85.8	0	0	0	109.2	I443 L444 L446 V477 I479 F491 S492 M493 F529 I551	I443-W531 CarbonylContact C-O 3.52Å; I443-W531 WeakPolarHBondContact CA-O 3.32Å; L444-W531 HydrophobicContact CB-CB 4.33Å; L444-W531 HydrophobicContact CB-CE3 4.28Å; L444-W531 HydrophobicContact CD2-CD2 4.48Å; L444-W531 HydrophobicContact CD2-CE3 3.81Å; L444-W531 HydrophobicContact CD2-CZ3 4.34Å; L444-W531 HydrophobicContact CG-CE3 3.87Å; L444-W531 HydrophobicContact CG-CZ3 4.39Å; L444-W531 PolarHBondContact N-O 3.02Å; L444-W531 PolarHBondContact O-N 3.19Å; L446-W531 HydrophobicContact CB-CH2 4.07Å; L446-W531 HydrophobicContact CB-CZ3 3.72Å; L446-W531 HydrophobicContact CD2-CH2 4.06Å; L446-W531 HydrophobicContact CD2-CZ3 4.47Å; V477-W531 HydrophobicContact CG1-CH2 4.4Å; V477-W531 HydrophobicContact CG1-CZ2 3.91Å; I479-W531 VanDerWaalsContact CD1-CD1 3.46Å; I479-W531 HydrophobicContact CD1-CD2 4.1Å; I479-W531 HydrophobicContact CD1-CG 3.95Å; I479-W531 HydrophobicContact CD1-CZ2 4.39Å; I479-W531 VanDerWaalsContact CD1-NE1 3.29Å; F491-W531 HydrophobicContact CE2-CB 3.78Å; F491-W531 HydrophobicContact CZ-CB 3.74Å; F491-W531 AromaticContact CZ-CD1 3.8Å; F491-W531 HydrophobicContact CZ-CG 4.05Å; S492-W531 CarbonylContact O-C 3.48Å; S492-W531 VanDerWaalsContact O-CA 3.28Å; S492-W531 WeakPolarHBondContact O-CA 3.43Å; M493-W531 HydrophobicContact CE-CZ2 4.22Å; F529-W531 HydrophobicContact CB-CH2 3.89Å; F529-W531 HydrophobicContact CB-CZ2 4.26Å; F529-W531 HydrophobicContact CB-CZ3 4.16Å; W531-I551 HydrophobicContact CE3-CD1 4.33Å; W531-I551 HydrophobicContact CH2-CD1 4.04Å; W531-I551 HydrophobicContact CH2-CG2 3.93Å; W531-I551 HydrophobicContact CZ2-CD1 4.4Å; W531-I551 HydrophobicContact CZ2-CG2 4.31Å; W531-I551 HydrophobicContact CZ3-CD1 4Å
532	I	92	Very high	79.1	Confident	18 Å²	18	46.9 Å²	46.9	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.3	-172.6	-50.7	178.5	0	0	0	108.9	A442 I443 F491 S492 K494 K530	A442-I532 CarbonylContact O-C 3.6Å; A442-I532 WeakPolarHBondContact O-CA 3.49Å; I443-I532 HydrophobicContact CG1-CG1 4.29Å; I443-I532 HydrophobicContact CG1-CG2 4.25Å; I443-I532 HydrophobicContact CG2-CG1 4.43Å; F491-I532 CarbonylContact C-O 3.51Å; F491-I532 VanDerWaalsContact CA-O 3.32Å; F491-I532 WeakPolarHBondContact CA-O 3.39Å; S492-I532 PolarHBondContact N-O 2.64Å; S492-I532 PolarHBondContact O-N 3.19Å; K494-I532 HydrophobicContact CD-CD1 3.99Å; K530-I532 HydrophobicContact CB-CG1 4.41Å
533	F	92.3	Very high	79.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.9	169.9	-179.8	-98.6	0	0	0	110.1	M436 S441 A442 L483 C489 Q490 F491 K535 D544 V546	M436-F533 HydrophobicContact CE-CD1 3.53Å; M436-F533 HydrophobicContact CE-CE1 3.81Å; M436-F533 HydrophobicContact SD-CD1 4.45Å; S441-F533 WeakPolarHBondContact CA-O 3.25Å; A442-F533 HydrophobicContact CB-CB 4.22Å; A442-F533 PolarHBondContact N-O 2.87Å; A442-F533 PolarHBondContact O-N 2.96Å; L483-F533 HydrophobicContact CD2-CD2 4.3Å; L483-F533 HydrophobicContact CD2-CE2 4.26Å; C489-F533 HydrophobicContact CB-CE2 3.81Å; C489-F533 HydrophobicContact CB-CZ 3.86Å; Q490-F533 WeakPolarHBondContact O-CA 3.34Å; F491-F533 HydrophobicContact CB-CD2 4.42Å; F491-F533 HydrophobicContact CD2-CB 4.1Å; F533-K535 HydrophobicContact CE1-CG 4.36Å; F533-D544 WeakPolarHBondContact CE1-O 3.18Å; F533-D544 HydrophobicContact CZ-CB 4.29Å; F533-D544 WeakPolarHBondContact CZ-O 2.86Å; F533-V546 HydrophobicContact CB-CG1 3.99Å; F533-V546 HydrophobicContact CD2-CB 3.92Å; F533-V546 HydrophobicContact CD2-CG1 4.02Å; F533-V546 HydrophobicContact CE2-CB 4.37Å; F533-V546 HydrophobicContact CG-CB 4.46Å; F533-V546 HydrophobicContact CG-CG1 4.04Å
534	E	86.6	Confident	79.6	Confident	45 Å²	45	41.6 Å²	41.6	21%	0.21	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.2	-176.6	65.2	-171.9	154.6	0	0	112.1	Q490 P536	Q490-E534 HydrophobicContact CB-CG 3.92Å; Q490-E534 HydrophobicContact CG-CG 4.4Å; Q490-E534 PolarHBondContact N-O 2.8Å; Q490-E534 PolarHBondContact NE2-OE1 2.7Å; Q490-E534 PolarHBondContact O-N 3.26Å; E534-P536 WeakPolarHBondContact O-CD 3.37Å
535	K	81.9	Confident	80	Confident	5 Å²	5	42.4 Å²	42.4	2%	0.022	23%	0.234	C	C	.	.			trans	-121.7	79.8	-177.8	-61.1	178.4	-168.8	179.3	0	110.3	G433 M436 F533 S537 H541 D544	G433-K535 PolarHBondContact O-NZ 3.06Å; G433-K535 VanDerWaalsContact O-NZ 3.08Å; M436-K535 HydrophobicContact CE-CD 4.43Å; M436-K535 HydrophobicContact CE-CG 4.15Å; M436-K535 PolarHBondContact O-NZ 3.25Å; F533-K535 HydrophobicContact CE1-CG 4.36Å; K535-S537 PolarHBondContact O-N 3.3Å; K535-H541 PolarHBondContact NZ-O 3.1Å; K535-D544 HydrophobicContact CD-CB 4.45Å
536	P	68.6	Low	80.7	Confident	59 Å²	59	40.3 Å²	40.3	38%	0.383	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	107.8	-172.9	24.1	-32.7	0	0	0	111.6	R488 Q490 E534 S538	R488-P536 WeakPolarHBondContact O-CD 3.48Å; Q490-P536 HydrophobicContact CB-CG 4.42Å; E534-P536 WeakPolarHBondContact O-CD 3.37Å; P536-S538 PolarHBondContact O-N 3.07Å
537	S	63.1	Low	81.2	Confident	125 Å²	125	36.9 Å²	36.9	87%	0.874	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	33.9	176.1	-54.9	0	0	0	0	114.3	K535	K535-S537 PolarHBondContact O-N 3.3Å
538	S	55.3	Low	81.5	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.084	20%	0.201	C	C	.	.			trans	-81	140.4	176.1	-173.7	0	0	0	0	110	P536	P536-S538 PolarHBondContact O-N 3.07Å
539	P	58	Low	81.6	Confident	92 Å²	92	35.2 Å²	35.2	60%	0.597	20%	0.195	S	C	*	.			trans	-51.8	146	158.4	20.1	-27.2	0	0	0	109.1	H541	P539-H541 VanDerWaalsContact C-N 3.32Å; P539-H541 PolarHBondContact O-CD2 2.81Å; P539-H541 PolarHBondContact O-N 3.46Å
540	I	59.6	Low	81.6	Confident	118 Å²	118	36.9 Å²	36.9	61%	0.605	20%	0.202	S	C	*	.			trans	-57.4	91.1	-170.3	-57.6	172	0	0	0	109.8	I542	I540-I542 HydrophobicContact CG2-CG2 3.72Å
541	H	65.7	Low	81.6	Confident	66 Å²	66	34.9 Å²	34.9	31%	0.306	19%	0.194	S	C	.	.			trans	-104.6	91.4	172	-70.3	-57	0	0	0	107.5	K535 P539 Q543 D544	K535-H541 PolarHBondContact NZ-O 3.1Å; P539-H541 VanDerWaalsContact C-N 3.32Å; P539-H541 PolarHBondContact O-CD2 2.81Å; P539-H541 PolarHBondContact O-N 3.46Å; H541-Q543 PolarHBondContact O-N 2.93Å; H541-D544 PolarHBondContact O-N 2.97Å
542	I	72.6	Confident	81.5	Confident	37 Å²	37	35.9 Å²	35.9	19%	0.19	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.6	-175.4	56.3	-177.9	0	0	0	113.7	D307 I329 G435 I540	D307-I542 WeakPolarHBondContact O-CD1 3.21Å; I329-I542 HydrophobicContact CD1-CB 4.41Å; I329-I542 HydrophobicContact CD1-CD1 3.99Å; I329-I542 HydrophobicContact CD1-CG1 4.37Å; G435-I542 PolarHBondContact N-O 2.89Å; I540-I542 HydrophobicContact CG2-CG2 3.72Å
543	Q	80.1	Confident	81.6	Confident	51 Å²	51	35 Å²	35	24%	0.238	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.3	-178.6	-66.4	-63.7	-28.9	0	0	114.2	D307 I486 H541 H545	D307-Q543 HydrophobicContact CB-CG 4.21Å; D307-Q543 PolarHBondContact O-NE2 2.81Å; I486-Q543 HydrophobicContact CD1-CB 4.39Å; H541-Q543 PolarHBondContact O-N 2.93Å; Q543-H545 PolarHBondContact O-N 2.84Å; Q543-H545 PolarHBondContact O-ND1 3.4Å
544	D	88.3	Confident	81.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.			trans	-66.2	122.9	176.4	-70.6	-1	0	0	0	110.1	G433 D484 C485 I486 G487 C489 F533 K535 H541	G433-D544 CarbonylContact C-O 3.59Å; D484-D544 WeakPolarHBondContact O-CA 3.42Å; C485-D544 WeakPolarHBondContact CA-OD1 3.28Å; C485-D544 HydrophobicContact CB-CB 4.42Å; I486-D544 PolarHBondContact N-OD1 2.82Å; G487-D544 VanDerWaalsContact CA-OD2 3.31Å; G487-D544 WeakPolarHBondContact CA-OD2 3.38Å; G487-D544 PolarHBondContact N-OD1 2.92Å; G487-D544 PolarHBondContact N-OD2 3.17Å; G487-D544 VanDerWaalsContact N-OD2 3.1Å; C489-D544 HydrophobicContact CB-CB 4.46Å; F533-D544 WeakPolarHBondContact CE1-O 3.18Å; F533-D544 HydrophobicContact CZ-CB 4.29Å; F533-D544 WeakPolarHBondContact CZ-O 2.86Å; K535-D544 HydrophobicContact CD-CB 4.45Å; H541-D544 PolarHBondContact O-N 2.97Å
545	H	90.2	Very high	81.6	Confident	24 Å²	24	35.1 Å²	35.1	11%	0.111	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.1	-175.9	65.6	-84.2	0	0	0	113.8	R431 G432 V434 D484 Q543 N547	R431-H545 HydrophobicContact CG-CB 4.02Å; G432-H545 CarbonylContact O-C 3.59Å; G432-H545 WeakPolarHBondContact O-CA 3.18Å; G432-H545 VanDerWaalsContact O-CB 3.27Å; G432-H545 WeakPolarHBondContact O-CB 3.5Å; V434-H545 HydrophobicContact CG2-CB 3.75Å; D484-H545 PolarHBondContact N-O 2.92Å; D484-H545 PolarHBondContact O-N 2.84Å; D484-H545 IonicContact OD2-NE2 2.77Å; Q543-H545 PolarHBondContact O-N 2.84Å; Q543-H545 PolarHBondContact O-ND1 3.4Å; H545-N547 PolarHBondContact CD2-ND2 2.77Å; H545-N547 VanDerWaalsContact CD2-ND2 3.28Å; H545-N547 PolarHBondContact CD2-OD1 2.04Å; H545-N547 VanDerWaalsContact CD2-OD1 3.3Å; H545-N547 PolarHBondContact NE2-ND2 2.89Å
546	V	94.1	Very high	81.9	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.9	167.5	62.7	0	0	0	0	109.8	W423 R431 G432 F481 L483 F491 F533 I548	W423-V546 HydrophobicContact CH2-CG1 4.24Å; W423-V546 HydrophobicContact CZ3-CG1 4.14Å; R431-V546 CarbonylContact C-O 3.55Å; R431-V546 VanDerWaalsContact CA-O 3.23Å; R431-V546 WeakPolarHBondContact CA-O 3.42Å; G432-V546 PolarHBondContact N-O 3.48Å; G432-V546 PolarHBondContact O-N 2.85Å; F481-V546 HydrophobicContact CB-CG2 4.29Å; F481-V546 HydrophobicContact CD2-CG2 4.08Å; L483-V546 HydrophobicContact CD2-CB 3.68Å; L483-V546 HydrophobicContact CD2-CG2 3.62Å; F491-V546 HydrophobicContact CD1-CG2 4.27Å; F491-V546 HydrophobicContact CD2-CB 4.34Å; F491-V546 HydrophobicContact CD2-CG1 4.24Å; F491-V546 HydrophobicContact CD2-CG2 4.05Å; F491-V546 HydrophobicContact CE1-CG2 4.24Å; F491-V546 HydrophobicContact CE2-CG1 4.16Å; F491-V546 HydrophobicContact CE2-CG2 4.01Å; F491-V546 HydrophobicContact CG-CG2 4.17Å; F491-V546 HydrophobicContact CZ-CG2 4.1Å; F533-V546 HydrophobicContact CB-CG1 3.99Å; F533-V546 HydrophobicContact CD2-CB 3.92Å; F533-V546 HydrophobicContact CD2-CG1 4.02Å; F533-V546 HydrophobicContact CE2-CB 4.37Å; F533-V546 HydrophobicContact CG-CB 4.46Å; F533-V546 HydrophobicContact CG-CG1 4.04Å; V546-I548 HydrophobicContact CG2-CG1 4.24Å
547	N	94	Very high	82.6	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.2	170.4	-67.7	-51.1	0	0	0	108.7	L429 R431 F481 K482 D484 H545 Y549	L429-N547 HydrophobicContact CD1-CB 4.04Å; L429-N547 VanDerWaalsContact CD1-OD1 3.24Å; L429-N547 WeakPolarHBondContact CD1-OD1 3.37Å; L429-N547 HydrophobicContact CD2-CB 4.28Å; R431-N547 WeakPolarHBondContact CG-OD1 3.19Å; R431-N547 PolarHBondContact NE-OD1 2.81Å; F481-N547 CarbonylContact C-O 3.5Å; F481-N547 WeakPolarHBondContact CA-O 3.23Å; F481-N547 VanDerWaalsContact CB-O 3.31Å; F481-N547 WeakPolarHBondContact CB-O 3.38Å; K482-N547 PolarHBondContact N-O 3Å; K482-N547 PolarHBondContact O-N 2.91Å; D484-N547 PolarHBondContact OD2-ND2 2.79Å; H545-N547 PolarHBondContact CD2-ND2 2.77Å; H545-N547 VanDerWaalsContact CD2-ND2 3.28Å; H545-N547 PolarHBondContact CD2-OD1 2.04Å; H545-N547 VanDerWaalsContact CD2-OD1 3.3Å; H545-N547 PolarHBondContact NE2-ND2 2.89Å; N547-Y549 HydrophobicContact CB-CE2 4.41Å
548	I	94.9	Very high	83	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.6	175.9	-57.6	174.8	0	0	0	108.4	W401 W423 L429 L430 L444 I479 E480 F481 F491 V546 I551	W401-I548 HydrophobicContact CZ2-CG2 3.9Å; W401-I548 PolarHBondContact NE1-O 3.04Å; W423-I548 HydrophobicContact CH2-CD1 3.84Å; W423-I548 HydrophobicContact CZ3-CD1 3.69Å; L429-I548 CarbonylContact C-O 3.53Å; L429-I548 VanDerWaalsContact CA-O 3.25Å; L429-I548 WeakPolarHBondContact CA-O 3.46Å; L429-I548 WeakPolarHBondContact CB-O 3.15Å; L430-I548 HydrophobicContact CB-CB 4.34Å; L430-I548 PolarHBondContact N-O 2.98Å; L430-I548 PolarHBondContact O-N 3.24Å; L444-I548 HydrophobicContact CD2-CD1 3.85Å; I479-I548 HydrophobicContact CD1-CD1 4.21Å; I479-I548 HydrophobicContact CD1-CG1 4.38Å; I479-I548 HydrophobicContact CD1-CG2 4.11Å; I479-I548 HydrophobicContact CG1-CG2 4.14Å; E480-I548 CarbonylContact O-C 3.47Å; F481-I548 HydrophobicContact CB-CG1 4.24Å; F491-I548 HydrophobicContact CZ-CD1 4.17Å; F491-I548 HydrophobicContact CZ-CG1 4.45Å; V546-I548 HydrophobicContact CG2-CG1 4.24Å; I548-I551 HydrophobicContact CG2-CD1 4.23Å; I548-I551 HydrophobicContact CG2-CG1 3.97Å
549	Y	93.9	Very high	83.8	Confident	40 Å²	40	35.7 Å²	35.7	16%	0.157	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-44.2	179.9	-60.8	-79.3	0	0	0	111.7	W401 L429 E480 K482 R514 N547	W401-Y549 PolarHBondContact NE1-O 3.38Å; L429-Y549 HydrophobicContact CB-CD1 3.91Å; L429-Y549 HydrophobicContact CB-CE1 4.08Å; L429-Y549 HydrophobicContact CD2-CD1 4.4Å; L429-Y549 HydrophobicContact CD2-CE1 3.73Å; E480-Y549 HydrophobicContact CG-CD2 4.28Å; E480-Y549 PolarHBondContact O-N 3.1Å; K482-Y549 HydrophobicContact CB-CE2 3.82Å; R514-Y549 HydrophobicContact CG-CD2 4.15Å; R514-Y549 HydrophobicContact CG-CE2 3.99Å; N547-Y549 HydrophobicContact CB-CE2 4.41Å
550	Q	93.4	Very high	84.4	Confident	34 Å²	34	31.5 Å²	31.5	16%	0.159	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.1	-175	-176.9	179.2	-25.3	0	0	112	F398 D399 I479 E480	F398-Q550 CarbonylContact O-C 3.44Å; F398-Q550 WeakPolarHBondContact O-CA 3.49Å; F398-Q550 WeakPolarHBondContact O-CG 3.15Å; D399-Q550 HydrophobicContact CB-CG 4.03Å; I479-Q550 WeakPolarHBondContact CA-O 3.34Å; E480-Q550 HydrophobicContact CB-CB 4.09Å; E480-Q550 PolarHBondContact N-O 2.88Å; E480-Q550 PolarHBondContact O-N 2.98Å
551	I	94.5	Very high	85	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.4	164.5	-61.2	177.2	0	0	0	108.3	F398 W401 L444 L446 R478 I479 W531 I548	F398-I551 HydrophobicContact CB-CB 4.43Å; F398-I551 HydrophobicContact CD2-CB 4.04Å; F398-I551 HydrophobicContact CD2-CG2 4.14Å; F398-I551 PolarHBondContact N-O 3.11Å; F398-I551 PolarHBondContact O-N 2.94Å; W401-I551 HydrophobicContact CH2-CD1 4Å; W401-I551 HydrophobicContact CH2-CG1 4.33Å; W401-I551 HydrophobicContact CZ2-CD1 4.48Å; W401-I551 HydrophobicContact CZ2-CG1 4.38Å; L444-I551 HydrophobicContact CD2-CD1 3.62Å; L446-I551 HydrophobicContact CD2-CG2 4.36Å; R478-I551 CarbonylContact O-C 3.55Å; R478-I551 WeakPolarHBondContact O-CA 3.24Å; I479-I551 HydrophobicContact CD1-CD1 4.4Å; I479-I551 HydrophobicContact CD1-CG1 4.22Å; I479-I551 HydrophobicContact CG1-CG1 4.09Å; W531-I551 HydrophobicContact CE3-CD1 4.33Å; W531-I551 HydrophobicContact CH2-CD1 4.04Å; W531-I551 HydrophobicContact CH2-CG2 3.93Å; W531-I551 HydrophobicContact CZ2-CD1 4.4Å; W531-I551 HydrophobicContact CZ2-CG2 4.31Å; W531-I551 HydrophobicContact CZ3-CD1 4Å; I548-I551 HydrophobicContact CG2-CD1 4.23Å; I548-I551 HydrophobicContact CG2-CG1 3.97Å
552	E	92.7	Very high	85.5	Confident	20 Å²	20	24 Å²	24	9%	0.093	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.8	179.8	177.2	175.5	-127	0	0	109.8	L396 R397 F476 V477 R478	L396-E552 CarbonylContact O-C 3.51Å; L396-E552 VanDerWaalsContact O-CA 3.31Å; L396-E552 WeakPolarHBondContact O-CA 3.48Å; R397-E552 IonicContact NH1-OE1 2.77Å; R397-E552 PolarHBondContact NH1-OE1 2.78Å; F476-E552 HydrophobicContact CE2-CG 4.21Å; V477-E552 CarbonylContact C-O 3.48Å; V477-E552 WeakPolarHBondContact CA-O 2.94Å; R478-E552 HydrophobicContact CB-CB 4.3Å; R478-E552 IonicContact CZ-OE2 3.65Å; R478-E552 PolarHBondContact N-O 2.86Å; R478-E552 IonicContact NE-OE2 3.19Å; R478-E552 IonicContact NH1-OE2 3.68Å; R478-E552 PolarHBondContact NH1-OE2 2.87Å; R478-E552 PolarHBondContact O-N 2.92Å
553	V	94.4	Very high	85.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128	177.9	-170.6	0	0	0	0	108.6	G395 L396 L446 F452 F476 V477 V556	G395-V553 CarbonylContact C-O 3.54Å; G395-V553 WeakPolarHBondContact CA-O 3.21Å; L396-V553 HydrophobicContact CB-CB 4.21Å; L396-V553 HydrophobicContact CB-CG2 4.5Å; L396-V553 PolarHBondContact N-O 3.3Å; L396-V553 PolarHBondContact O-N 3.36Å; L446-V553 HydrophobicContact CD2-CG2 3.62Å; F452-V553 HydrophobicContact CE1-CG1 3.76Å; F452-V553 HydrophobicContact CZ-CG1 4.36Å; F476-V553 WeakPolarHBondContact O-CA 3.4Å; V477-V553 HydrophobicContact CG1-CG2 4.25Å; V477-V553 HydrophobicContact CG2-CB 4.43Å; V477-V553 HydrophobicContact CG2-CG1 3.85Å; V477-V553 HydrophobicContact CG2-CG2 3.95Å; V553-V556 HydrophobicContact CB-CG2 4.16Å; V553-V556 HydrophobicContact CG1-CG2 3.49Å; V553-V556 VanDerWaalsContact CG1-CG2 3.49Å
554	T	91	Very high	85.8	Confident	18 Å²	18	22 Å²	22	11%	0.11	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	157.3	179.8	54.9	0	0	0	0	111.9	N474 T475 F476 V556	N474-T554 PolarHBondContact O-OG1 2.85Å; T475-T554 WeakPolarHBondContact CA-OG1 3.05Å; F476-T554 HydrophobicContact CD1-CG2 4.37Å; F476-T554 HydrophobicContact CD2-CG2 4.49Å; F476-T554 HydrophobicContact CE1-CG2 3.77Å; F476-T554 HydrophobicContact CE2-CG2 3.92Å; F476-T554 HydrophobicContact CZ-CG2 3.5Å; F476-T554 PolarHBondContact N-OG1 2.92Å; F476-T554 PolarHBondContact O-N 2.87Å; F476-T554 VanDerWaalsContact O-N 3.09Å; T554-V556 VanDerWaalsContact C-N 3.33Å; T554-V556 PolarHBondContact O-N 3.18Å
555	N	87.6	Confident	85.6	Confident	30 Å²	30	24.4 Å²	24.4	16%	0.16	13%	0.126	C	C	.	.	S	Bend	trans	55.8	38.4	169.6	-54.7	-33.8	0	0	0	115	Y394 F452 I453 T475	Y394-N555 WeakPolarHBondContact O-CA 3.06Å; Y394-N555 PolarHBondContact O-N 2.95Å; F452-N555 WeakPolarHBondContact CA-O 3.47Å; I453-N555 HydrophobicContact CB-CB 4.49Å; I453-N555 WeakPolarHBondContact CG1-O 3.37Å; I453-N555 PolarHBondContact N-O 3.16Å; T475-N555 HydrophobicContact CG2-CB 4.13Å; T475-N555 WeakPolarHBondContact OG1-CB 3.37Å; T475-N555 PolarHBondContact OG1-ND2 3.21Å
556	V	88.6	Confident	85.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-76.9	132.4	176.6	-168.2	0	0	0	0	110.4	Y394 I448 F452 V553 T554 D559	Y394-V556 WeakPolarHBondContact CB-O 3.27Å; I448-V556 HydrophobicContact CD1-CG1 4.26Å; I448-V556 HydrophobicContact CD1-CG2 4.37Å; I448-V556 HydrophobicContact CG2-CG1 3.47Å; I448-V556 VanDerWaalsContact CG2-CG1 3.47Å; F452-V556 HydrophobicContact CD1-CG2 4.4Å; F452-V556 HydrophobicContact CE1-CG2 4.16Å; V553-V556 HydrophobicContact CB-CG2 4.16Å; V553-V556 HydrophobicContact CG1-CG2 3.49Å; V553-V556 VanDerWaalsContact CG1-CG2 3.49Å; T554-V556 VanDerWaalsContact C-N 3.33Å; T554-V556 PolarHBondContact O-N 3.18Å; V556-D559 HydrophobicContact CB-CB 3.69Å; V556-D559 HydrophobicContact CG1-CB 3.61Å; V556-D559 WeakPolarHBondContact CG1-OD2 3.35Å
557	K	83.3	Confident	84.7	Confident	90 Å²	90	28.2 Å²	28.2	39%	0.391	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	137.1	-177.8	-167.1	-177	-173.1	177.8	0	110.4	D450 G451 I453 D559	D450-K557 HydrophobicContact CB-CB 4.09Å; D450-K557 HydrophobicContact CB-CD 4.39Å; D450-K557 HydrophobicContact CB-CG 4.39Å; D450-K557 WeakPolarHBondContact O-CB 3.25Å; D450-K557 WeakPolarHBondContact O-CD 2.98Å; G451-K557 WeakPolarHBondContact O-CB 3.46Å; G451-K557 PolarHBondContact O-N 3.38Å; I453-K557 HydrophobicContact CG1-CB 4.37Å; K557-D559 PolarHBondContact O-N 3.41Å
558	N	71.7	Confident	84.3	Confident	86 Å²	86	29.4 Å²	29.4	46%	0.46	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	16.7	178.2	-59.6	-26.7	0	0	0	115.9	D450	D450-N558 HydrophobicContact CB-CB 4.4Å; D450-N558 WeakPolarHBondContact OD2-CB 3.39Å; D450-N558 PolarHBondContact OD2-ND2 3.19Å
559	D	70.4	Confident	83.7	Confident	35 Å²	35	33.8 Å²	33.8	19%	0.187	18%	0.179	C	C	.	.			trans	-98.8	-169.3	-176.6	-115.5	-4.9	0	0	0	111.8	Y394 V556 K557	Y394-D559 WeakPolarHBondContact CD1-O 3.4Å; V556-D559 HydrophobicContact CB-CB 3.69Å; V556-D559 HydrophobicContact CG1-CB 3.61Å; V556-D559 WeakPolarHBondContact CG1-OD2 3.35Å; K557-D559 PolarHBondContact O-N 3.41Å
560	N	70.9	Confident	83.2	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	19%	0.189	C	C	.	.			trans	-64.3	154.1	-175	-172.3	26.1	0	0	0	114.4	G357 L368 Y394 G395 L396	G357-N560 VanDerWaalsContact C-ND2 3.27Å; G357-N560 WeakPolarHBondContact CA-ND2 3.29Å; G357-N560 PolarHBondContact O-ND2 3.07Å; G357-N560 PolarHBondContact O-OD1 3.4Å; L368-N560 HydrophobicContact CB-CB 4.32Å; L368-N560 HydrophobicContact CD2-CB 3.77Å; L368-N560 WeakPolarHBondContact CD2-ND2 3.31Å; Y394-N560 WeakPolarHBondContact CA-O 3.39Å; G395-N560 PolarHBondContact N-O 3Å; G395-N560 VanDerWaalsContact O-O 3.05Å; L396-N560 HydrophobicContact CD2-CB 4.21Å
561	T	72.8	Confident	82.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.6	173.9	-57.8	0	0	0	0	110.7	K374 P392 M393 G563	K374-T561 HydrophobicContact CB-CG2 4.13Å; P392-T561 HydrophobicContact CB-CG2 3.46Å; P392-T561 VanDerWaalsContact CB-CG2 3.46Å; M393-T561 CarbonylContact O-C 3.56Å; M393-T561 VanDerWaalsContact O-CA 3.29Å; M393-T561 WeakPolarHBondContact O-CA 3.1Å; T561-G563 WeakPolarHBondContact CG2-O 3.11Å
562	I	76.6	Confident	81.8	Confident	27 Å²	27	38.1 Å²	38.1	14%	0.138	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-19.8	178.5	51.7	168.2	0	0	0	113.4	T356 M393 G395 R397	T356-I562 WeakPolarHBondContact CG2-O 3.33Å; M393-I562 HydrophobicContact CB-CG1 4.12Å; M393-I562 WeakPolarHBondContact O-CG1 3.31Å; M393-I562 PolarHBondContact O-N 3.05Å; G395-I562 VanDerWaalsContact C-CG2 3.46Å; G395-I562 WeakPolarHBondContact O-CG2 3.06Å; R397-I562 HydrophobicContact CB-CG2 4.15Å
563	G	77.4	Confident	81	Confident	18 Å²	18	44.8 Å²	44.8	19%	0.186	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-178.2	-175.6	0	0	0	0	0	112.2	M393 T561	M393-G563 PolarHBondContact N-O 2.83Å; T561-G563 WeakPolarHBondContact CG2-O 3.11Å
564	C	81.7	Confident	79.9	Confident	28 Å²	28	47.3 Å²	47.3	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.4	172	-58.9	0	0	0	0	108.3	K374 C386 E390 V391	K374-C564 WeakPolarHBondContact CD-SG 3.45Å; K374-C564 WeakPolarHBondContact CE-SG 3.28Å; K374-C564 PolarHBondContact NZ-SG 2.8Å; C386-C564 WeakPolarHBondContact CA-SG 3.27Å; C386-C564 HydrophobicContact CB-CB 3.96Å; C386-C564 WeakPolarHBondContact CB-SG 3.45Å; C386-C564 WeakPolarHBondContact SG-CB 3.42Å; C386-C564 CovalentContact SG-SG 2.04Å; C386-C564 PolarHBondContact SG-SG 3Å; E390-C564 HydrophobicContact CB-CB 3.9Å; E390-C564 HydrophobicContact CG-CB 4.5Å; E390-C564 WeakPolarHBondContact OE2-CB 3.3Å; V391-C564 WeakPolarHBondContact O-CA 3.48Å
565	Q	83	Confident	79.1	Confident	50 Å²	50	54.1 Å²	54.1	23%	0.234	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.3	178	61.8	-174.5	-0.2	0	0	110.3	E390 V391 M393 S614	E390-Q565 CarbonylContact C-O 3.55Å; E390-Q565 WeakPolarHBondContact CA-O 3.44Å; V391-Q565 HydrophobicContact CG2-CG 3.6Å; V391-Q565 PolarHBondContact N-O 3.47Å; V391-Q565 PolarHBondContact O-N 3.32Å; M393-Q565 HydrophobicContact CG-CB 3.76Å; M393-Q565 HydrophobicContact CG-CG 3.63Å; M393-Q565 HydrophobicContact SD-CB 3.96Å; M393-Q565 HydrophobicContact SD-CG 4.45Å; Q565-S614 PolarHBondContact NE2-OG 2.72Å
566	T	83	Confident	78.8	Confident	86 Å²	86	53.4 Å²	53.4	53%	0.528	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	141.8	173.3	48.5	0	0	0	0	109.9	E390	E390-T566 HydrophobicContact CG-CG2 3.9Å
567	C	83.8	Confident	78.6	Confident	18 Å²	18	58.5 Å²	58.5	12%	0.122	33%	0.326	C	S	.	.			trans	-87.1	145.2	175.6	-60.9	0	0	0	0	111.3	V391 Q569 G570 I571 C576	V391-C567 WeakPolarHBondContact CG1-SG 3.4Å; C567-Q569 PolarHBondContact O-N 3.06Å; C567-G570 VanDerWaalsContact CB-O 3.24Å; C567-G570 WeakPolarHBondContact CB-O 3.36Å; C567-I571 HydrophobicContact CB-CG1 4.27Å; C567-C576 HydrophobicContact CB-CB 3.69Å; C567-C576 WeakPolarHBondContact CB-SG 3.31Å; C567-C576 WeakPolarHBondContact SG-CA 3.38Å; C567-C576 WeakPolarHBondContact SG-CB 3.29Å; C567-C576 CovalentContact SG-SG 2.04Å; C567-C576 PolarHBondContact SG-SG 3.26Å
568	V	83.7	Confident	78.5	Confident	32 Å²	32	59.3 Å²	59.3	19%	0.194	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-40.8	-176.8	-173.6	0	0	0	0	112.9	F585 I598 S614 L616	V568-F585 HydrophobicContact CG1-CB 4.41Å; V568-F585 HydrophobicContact CG1-CD1 4.46Å; V568-F585 HydrophobicContact CG1-CG 4.31Å; V568-I598 HydrophobicContact CG1-CB 4.42Å; V568-I598 HydrophobicContact CG1-CD1 3.53Å; V568-I598 HydrophobicContact CG1-CG1 4.35Å; V568-I598 HydrophobicContact CG1-CG2 3.41Å; V568-I598 VanDerWaalsContact CG1-CG2 3.41Å; V568-S614 VanDerWaalsContact CG2-O 3.31Å; V568-S614 WeakPolarHBondContact CG2-O 3.38Å; V568-L616 HydrophobicContact CG1-CD2 3.99Å; V568-L616 HydrophobicContact CG1-CG 4.42Å
569	Q	83.5	Confident	79.2	Confident	92 Å²	92	56 Å²	56	43%	0.43	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	24.9	-177	-76.3	-69.9	-23.1	0	0	113.1	C567 K577 F585 I598	C567-Q569 PolarHBondContact O-N 3.06Å; Q569-K577 HydrophobicContact CB-CD 4.38Å; Q569-F585 HydrophobicContact CB-CE1 4.18Å; Q569-F585 HydrophobicContact CB-CZ 4.08Å; Q569-F585 HydrophobicContact CG-CD1 4.25Å; Q569-F585 HydrophobicContact CG-CE1 3.55Å; Q569-F585 HydrophobicContact CG-CZ 3.98Å; Q569-I598 HydrophobicContact CG-CG2 4.44Å
570	G	82.8	Confident	79.8	Confident	34 Å²	34	58.6 Å²	58.6	35%	0.351	34%	0.341	S	S	.	.			trans	84.7	-173.9	-178.1	0	0	0	0	0	114.5	C567 K577	C567-G570 VanDerWaalsContact CB-O 3.24Å; C567-G570 WeakPolarHBondContact CB-O 3.36Å; G570-K577 PolarHBondContact O-N 2.92Å
571	I	80.8	Confident	80.1	Confident	55 Å²	55	67.1 Å²	67.1	28%	0.282	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.3	-169.7	-61.2	174.1	0	0	0	109.3	N389 V391 C567 K575	N389-I571 VanDerWaalsContact C-CD1 3.41Å; V391-I571 HydrophobicContact CG1-CD1 3.79Å; V391-I571 HydrophobicContact CG1-CG1 3.89Å; V391-I571 HydrophobicContact CG1-CG2 4.36Å; C567-I571 HydrophobicContact CB-CG1 4.27Å; I571-K575 CarbonylContact C-O 3.55Å; I571-K575 WeakPolarHBondContact CA-O 3.19Å; I571-K575 WeakPolarHBondContact CG2-O 3.11Å
572	V	79	Confident	80.5	Confident	76 Å²	76	67.4 Å²	67.4	46%	0.461	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.4	171	179.5	0	0	0	0	107.1	G574 K575 K577	V572-G574 PolarHBondContact O-N 3.48Å; V572-G574 VanDerWaalsContact O-N 3.13Å; V572-K575 PolarHBondContact N-O 3.15Å; V572-K575 PolarHBondContact O-N 2.87Å; V572-K577 HydrophobicContact CG2-CB 4.04Å; V572-K577 HydrophobicContact CG2-CD 4.41Å; V572-K577 HydrophobicContact CG2-CG 4.14Å
573	D	74.6	Confident	81	Confident	160 Å²	160	68.8 Å²	68.8	86%	0.856	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.5	178.3	-56	-36.6	0	0	0	114.7	K575	D573-K575 VanDerWaalsContact C-N 3.25Å; D573-K575 PolarHBondContact O-N 2.82Å
574	G	70.6	Confident	81.4	Confident	53 Å²	53	68.5 Å²	68.5	55%	0.546	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	4.1	179.5	0	0	0	0	0	115.4	V572	V572-G574 PolarHBondContact O-N 3.48Å; V572-G574 VanDerWaalsContact O-N 3.13Å
575	K	75	Confident	81.6	Confident	161 Å²	161	67.7 Å²	67.7	70%	0.7	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	156.5	175.5	-63.9	-178.6	-179.4	-179.6	0	110.8	I571 V572 D573 K577	I571-K575 CarbonylContact C-O 3.55Å; I571-K575 WeakPolarHBondContact CA-O 3.19Å; I571-K575 WeakPolarHBondContact CG2-O 3.11Å; V572-K575 PolarHBondContact N-O 3.15Å; V572-K575 PolarHBondContact O-N 2.87Å; D573-K575 VanDerWaalsContact C-N 3.25Å; D573-K575 PolarHBondContact O-N 2.82Å; K575-K577 PolarHBondContact O-N 3.02Å
576	C	82	Confident	81.7	Confident	16 Å²	16	65.8 Å²	65.8	11%	0.108	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.2	171.7	-68.8	0	0	0	0	110.2	V391 C567 T578 A613	V391-C576 WeakPolarHBondContact CG2-SG 3.47Å; C567-C576 HydrophobicContact CB-CB 3.69Å; C567-C576 WeakPolarHBondContact CB-SG 3.31Å; C567-C576 WeakPolarHBondContact SG-CA 3.38Å; C567-C576 WeakPolarHBondContact SG-CB 3.29Å; C567-C576 CovalentContact SG-SG 2.04Å; C567-C576 PolarHBondContact SG-SG 3.26Å; C576-T578 PolarHBondContact O-N 3.29Å; C576-T578 VanDerWaalsContact O-N 3.15Å; C576-A613 HydrophobicContact CB-CB 3.6Å
577	K	83.4	Confident	81.7	Confident	108 Å²	108	66 Å²	66	47%	0.47	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-60.6	116.1	175.5	-176.9	-179.9	177.5	-177.4	0	109.8	Q569 G570 V572 K575 F585 A613	Q569-K577 HydrophobicContact CB-CD 4.38Å; G570-K577 PolarHBondContact O-N 2.92Å; V572-K577 HydrophobicContact CG2-CB 4.04Å; V572-K577 HydrophobicContact CG2-CD 4.41Å; V572-K577 HydrophobicContact CG2-CG 4.14Å; K575-K577 PolarHBondContact O-N 3.02Å; K577-F585 WeakPolarHBondContact O-CE2 3.4Å; K577-F585 VanDerWaalsContact O-CZ 3.29Å; K577-F585 WeakPolarHBondContact O-CZ 3.36Å; K577-A613 WeakPolarHBondContact O-CB 3.07Å
578	T	82.5	Confident	81.4	Confident	107 Å²	107	69.2 Å²	69.2	66%	0.656	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-84.8	156	-179.2	57.5	0	0	0	0	112.4	C576 A613	C576-T578 PolarHBondContact O-N 3.29Å; C576-T578 VanDerWaalsContact O-N 3.15Å; T578-A613 HydrophobicContact CG2-CB 3.96Å
579	C	85.1	Confident	81.2	Confident	17 Å²	17	74.3 Å²	74.3	12%	0.115	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-69.5	160	165.7	-76	0	0	0	0	110.7	L583 F585 C600	C579-L583 HydrophobicContact CB-CB 3.98Å; C579-L583 VanDerWaalsContact CB-O 3.27Å; C579-L583 WeakPolarHBondContact CB-O 3.48Å; C579-F585 VanDerWaalsContact SG-CD1 3.57Å; C579-F585 WeakPolarHBondContact SG-CE1 2.82Å; C579-C600 HydrophobicContact CB-CB 3.9Å; C579-C600 WeakPolarHBondContact CB-SG 3.4Å; C579-C600 WeakPolarHBondContact SG-CB 3.31Å; C579-C600 CovalentContact SG-SG 2.05Å; C579-C600 PolarHBondContact SG-SG 3.31Å
580	P	83	Confident	81	Confident	88 Å²	88	71.5 Å²	71.5	57%	0.571	38%	0.379	S	S	*	.	S	Bend	trans	-57.5	158.3	169.3	-20.6	32.3	0	0	0	112.1	G582 L583	P580-G582 PolarHBondContact O-N 3.14Å; P580-L583 HydrophobicContact CB-CD1 4.36Å; P580-L583 PolarHBondContact O-N 3.07Å; P580-L583 VanDerWaalsContact O-N 3.13Å
581	Y	78.7	Confident	81	Confident	183 Å²	183	77.7 Å²	77.7	72%	0.718	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	128.4	-177.3	-69.2	-73	0	0	0	113.3	L583	Y581-L583 WeakPolarHBondContact O-CD1 2.96Å
582	G	80	Confident	80.9	Confident	7 Å²	7	82.3 Å²	82.3	7%	0.072	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	3.9	178.9	0	0	0	0	0	116	P580 C603	P580-G582 PolarHBondContact O-N 3.14Å; G582-C603 PolarHBondContact O-N 3.43Å
583	L	87.2	Confident	81.1	Confident	55 Å²	55	83.9 Å²	83.9	29%	0.288	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152	176.5	-62.1	84.1	0	0	0	111.5	C579 P580 Y581 C600 T601 K602	C579-L583 HydrophobicContact CB-CB 3.98Å; C579-L583 VanDerWaalsContact CB-O 3.27Å; C579-L583 WeakPolarHBondContact CB-O 3.48Å; P580-L583 HydrophobicContact CB-CD1 4.36Å; P580-L583 PolarHBondContact O-N 3.07Å; P580-L583 VanDerWaalsContact O-N 3.13Å; Y581-L583 WeakPolarHBondContact O-CD1 2.96Å; L583-C600 HydrophobicContact CB-CB 3.97Å; L583-C600 HydrophobicContact CD2-CB 3.8Å; L583-T601 CarbonylContact C-O 3.53Å; L583-T601 WeakPolarHBondContact CA-O 3.4Å; L583-K602 HydrophobicContact CG-CB 4.5Å
584	Y	86.2	Confident	81.2	Confident	12 Å²	12	83.8 Å²	83.8	5%	0.047	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	159.9	177.1	71.1	-83.3	0	0	0	111.2	S586 C600 T601 H617 V619 A622	Y584-S586 PolarHBondContact O-N 2.71Å; Y584-C600 CarbonylContact O-C 3.5Å; Y584-C600 WeakPolarHBondContact O-CA 3.32Å; Y584-T601 WeakPolarHBondContact CD1-O 3.1Å; Y584-T601 HydrophobicContact CE1-CG2 4.21Å; Y584-T601 PolarHBondContact N-O 3.29Å; Y584-T601 PolarHBondContact O-N 3.14Å; Y584-H617 HydrophobicContact CD2-CB 4.23Å; Y584-H617 WeakPolarHBondContact CE2-O 3.47Å; Y584-V619 WeakPolarHBondContact OH-CG2 3.22Å; Y584-A622 HydrophobicContact CD1-CB 3.97Å; Y584-A622 HydrophobicContact CD2-CB 3.39Å; Y584-A622 HydrophobicContact CE1-CB 4.47Å; Y584-A622 HydrophobicContact CE2-CB 3.96Å; Y584-A622 HydrophobicContact CG-CB 3.41Å; Y584-A622 VanDerWaalsContact CG-CB 3.41Å
585	F	86.2	Confident	81.8	Confident	11 Å²	11	84.5 Å²	84.5	5%	0.048	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.9	177.7	-69	-69.1	0	0	0	111.5	V568 Q569 K577 C579 I598 A613 L616 H617	V568-F585 HydrophobicContact CG1-CB 4.41Å; V568-F585 HydrophobicContact CG1-CD1 4.46Å; V568-F585 HydrophobicContact CG1-CG 4.31Å; Q569-F585 HydrophobicContact CB-CE1 4.18Å; Q569-F585 HydrophobicContact CB-CZ 4.08Å; Q569-F585 HydrophobicContact CG-CD1 4.25Å; Q569-F585 HydrophobicContact CG-CE1 3.55Å; Q569-F585 HydrophobicContact CG-CZ 3.98Å; K577-F585 WeakPolarHBondContact O-CE2 3.4Å; K577-F585 VanDerWaalsContact O-CZ 3.29Å; K577-F585 WeakPolarHBondContact O-CZ 3.36Å; C579-F585 VanDerWaalsContact SG-CD1 3.57Å; C579-F585 WeakPolarHBondContact SG-CE1 2.82Å; F585-I598 HydrophobicContact CB-CG2 4.4Å; F585-I598 HydrophobicContact CD1-CG2 3.78Å; F585-I598 HydrophobicContact CG-CG2 4.44Å; F585-A613 HydrophobicContact CD2-CB 4.25Å; F585-A613 HydrophobicContact CE2-CB 3.84Å; F585-L616 HydrophobicContact CB-CD2 4.25Å; F585-H617 PolarHBondContact O-N 3.05Å
586	S	85	Confident	82	Confident	11 Å²	11	81.5 Å²	81.5	8%	0.077	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.8	172.3	78.5	0	0	0	0	111	Y584 N599 T601	Y584-S586 PolarHBondContact O-N 2.71Å; S586-N599 PolarHBondContact N-O 2.88Å; S586-N599 PolarHBondContact O-N 2.55Å; S586-N599 VanDerWaalsContact O-N 3.09Å; S586-T601 WeakPolarHBondContact OG-CB 3.4Å; S586-T601 PolarHBondContact OG-OG1 3.4Å
587	I	82.8	Confident	82	Confident	90 Å²	90	83.8 Å²	83.8	46%	0.462	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.1	171	-154	167.8	0	0	0	109.7	N596 L616	I587-N596 HydrophobicContact CD1-CB 3.62Å; I587-N596 HydrophobicContact CG1-CB 3.67Å; I587-L616 HydrophobicContact CB-CD1 4.27Å; I587-L616 HydrophobicContact CD1-CD1 4.22Å
588	Q	78.1	Confident	82	Confident	86 Å²	86	81.2 Å²	81.2	40%	0.402	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.6	171.3	-67.8	-177.5	-4.7	0	0	108.4	D590 I597 N599 T601	Q588-D590 PolarHBondContact O-N 3.38Å; Q588-I597 PolarHBondContact N-O 3.35Å; Q588-I597 PolarHBondContact O-N 2.86Å; Q588-N599 PolarHBondContact OE1-ND2 3.39Å; Q588-T601 PolarHBondContact NE2-OG1 2.77Å
589	Y	78.9	Confident	82.3	Confident	139 Å²	139	79.4 Å²	79.4	55%	0.545	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115	176.7	-169.5	-96	0	0	0	109.1	E591 K594 N596	Y589-E591 HydrophobicContact CD1-CG 4.17Å; Y589-E591 PolarHBondContact O-N 2.79Å; Y589-K594 WeakPolarHBondContact OH-CB 3.07Å; Y589-N596 WeakPolarHBondContact CD2-OD1 3.46Å
590	D	79.6	Confident	82.4	Confident	33 Å²	33	80.9 Å²	80.9	18%	0.176	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	107.2	170.5	-179.8	0.8	0	0	0	108.9	Q588 I592 N593 K594 T595 I597	Q588-D590 PolarHBondContact O-N 3.38Å; D590-I592 PolarHBondContact O-N 3.34Å; D590-I592 WeakPolarHBondContact OD1-CB 3.35Å; D590-I592 PolarHBondContact OD1-N 2.86Å; D590-N593 WeakPolarHBondContact OD2-CB 3.05Å; D590-N593 PolarHBondContact OD2-ND2 3.44Å; D590-K594 WeakPolarHBondContact O-CA 3.38Å; D590-K594 PolarHBondContact O-N 2.04Å; D590-T595 VanDerWaalsContact CB-O 3.3Å; D590-T595 WeakPolarHBondContact CB-O 3.37Å; D590-T595 PolarHBondContact N-O 3.26Å; D590-T595 PolarHBondContact O-N 2.88Å; D590-I597 HydrophobicContact CB-CD1 3.5Å; D590-I597 HydrophobicContact CB-CG1 3.81Å; D590-I597 WeakPolarHBondContact OD2-CD1 3.37Å
591	E	81.8	Confident	82.6	Confident	163 Å²	163	78.3 Å²	78.3	76%	0.762	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.2	179.6	-66.3	-170.2	163.9	0	0	113	Y589	Y589-E591 HydrophobicContact CD1-CG 4.17Å; Y589-E591 PolarHBondContact O-N 2.79Å
592	I	79.7	Confident	83.1	Confident	152 Å²	152	75.1 Å²	75.1	78%	0.779	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-50.1	-173.9	-58	174	0	0	0	110.1	D590 K594	D590-I592 PolarHBondContact O-N 3.34Å; D590-I592 WeakPolarHBondContact OD1-CB 3.35Å; D590-I592 PolarHBondContact OD1-N 2.86Å; I592-K594 VanDerWaalsContact C-N 3.35Å
593	N	82.6	Confident	83.5	Confident	109 Å²	109	74.9 Å²	74.9	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.3	177.3	-66.8	-45.5	0	0	0	112.9	D590 T595	D590-N593 WeakPolarHBondContact OD2-CB 3.05Å; D590-N593 PolarHBondContact OD2-ND2 3.44Å; N593-T595 HydrophobicContact CB-CG2 4.43Å; N593-T595 WeakPolarHBondContact CB-OG1 3.33Å; N593-T595 PolarHBondContact O-N 3.41Å
594	K	76.9	Confident	83.7	Confident	159 Å²	159	74.9 Å²	74.9	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36.5	-171.4	-63	-174.2	178.2	-178.2	0	112.6	Y589 D590 I592	Y589-K594 WeakPolarHBondContact OH-CB 3.07Å; D590-K594 WeakPolarHBondContact O-CA 3.38Å; D590-K594 PolarHBondContact O-N 2.04Å; I592-K594 VanDerWaalsContact C-N 3.35Å
595	T	83.2	Confident	83.8	Confident	68 Å²	68	80.2 Å²	80.2	42%	0.417	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.2	-177.4	50.5	0	0	0	0	111	D590 N593 I597	D590-T595 VanDerWaalsContact CB-O 3.3Å; D590-T595 WeakPolarHBondContact CB-O 3.37Å; D590-T595 PolarHBondContact N-O 3.26Å; D590-T595 PolarHBondContact O-N 2.88Å; N593-T595 HydrophobicContact CB-CG2 4.43Å; N593-T595 WeakPolarHBondContact CB-OG1 3.33Å; N593-T595 PolarHBondContact O-N 3.41Å; T595-I597 PolarHBondContact O-N 3.33Å
596	N	79.8	Confident	83.8	Confident	98 Å²	98	82.7 Å²	82.7	52%	0.524	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.7	169.4	-73.9	-34.9	0	0	0	110	I587 Y589	I587-N596 HydrophobicContact CD1-CB 3.62Å; I587-N596 HydrophobicContact CG1-CB 3.67Å; Y589-N596 WeakPolarHBondContact CD2-OD1 3.46Å
597	I	82.2	Confident	84	Confident	64 Å²	64	82.2 Å²	82.2	33%	0.328	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.1	173.8	-57.5	-175.9	0	0	0	108.7	Q588 D590 T595	Q588-I597 PolarHBondContact N-O 3.35Å; Q588-I597 PolarHBondContact O-N 2.86Å; D590-I597 HydrophobicContact CB-CD1 3.5Å; D590-I597 HydrophobicContact CB-CG1 3.81Å; D590-I597 WeakPolarHBondContact OD2-CD1 3.37Å; T595-I597 PolarHBondContact O-N 3.33Å
598	I	83.6	Confident	84.2	Confident	54 Å²	54	78 Å²	78	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.9	174.8	-55.9	177.6	0	0	0	107.2	V568 Q569 F585 L616	V568-I598 HydrophobicContact CG1-CB 4.42Å; V568-I598 HydrophobicContact CG1-CD1 3.53Å; V568-I598 HydrophobicContact CG1-CG1 4.35Å; V568-I598 HydrophobicContact CG1-CG2 3.41Å; V568-I598 VanDerWaalsContact CG1-CG2 3.41Å; Q569-I598 HydrophobicContact CG-CG2 4.44Å; F585-I598 HydrophobicContact CB-CG2 4.4Å; F585-I598 HydrophobicContact CD1-CG2 3.78Å; F585-I598 HydrophobicContact CG-CG2 4.44Å; I598-L616 HydrophobicContact CG1-CD2 4.31Å; I598-L616 HydrophobicContact CG2-CD2 3.95Å
599	N	86.9	Confident	84.5	Confident	68 Å²	68	75.2 Å²	75.2	36%	0.364	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.3	178.5	-84.1	-19.3	0	0	0	110.9	S586 Q588	S586-N599 PolarHBondContact N-O 2.88Å; S586-N599 PolarHBondContact O-N 2.55Å; S586-N599 VanDerWaalsContact O-N 3.09Å; Q588-N599 PolarHBondContact OE1-ND2 3.39Å
600	C	87.7	Confident	84.7	Confident	49 Å²	49	69.2 Å²	69.2	33%	0.331	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.2	167.5	-69.2	0	0	0	0	108.9	C579 L583 Y584	C579-C600 HydrophobicContact CB-CB 3.9Å; C579-C600 WeakPolarHBondContact CB-SG 3.4Å; C579-C600 WeakPolarHBondContact SG-CB 3.31Å; C579-C600 CovalentContact SG-SG 2.05Å; C579-C600 PolarHBondContact SG-SG 3.31Å; L583-C600 HydrophobicContact CB-CB 3.97Å; L583-C600 HydrophobicContact CD2-CB 3.8Å; Y584-C600 CarbonylContact O-C 3.5Å; Y584-C600 WeakPolarHBondContact O-CA 3.32Å
601	T	88.6	Confident	84.6	Confident	34 Å²	34	68.1 Å²	68.1	21%	0.209	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.7	179.1	-65	0	0	0	0	110.1	L583 Y584 S586 Q588	L583-T601 CarbonylContact C-O 3.53Å; L583-T601 WeakPolarHBondContact CA-O 3.4Å; Y584-T601 WeakPolarHBondContact CD1-O 3.1Å; Y584-T601 HydrophobicContact CE1-CG2 4.21Å; Y584-T601 PolarHBondContact N-O 3.29Å; Y584-T601 PolarHBondContact O-N 3.14Å; S586-T601 WeakPolarHBondContact OG-CB 3.4Å; S586-T601 PolarHBondContact OG-OG1 3.4Å; Q588-T601 PolarHBondContact NE2-OG1 2.77Å
602	K	88.3	Confident	84.3	Confident	115 Å²	115	61.8 Å²	61.8	50%	0.5	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.9	179.1	-167.1	-171.2	168.4	-174.9	0	110.7	L583 H635	L583-K602 HydrophobicContact CG-CB 4.5Å; K602-H635 WeakPolarHBondContact CE-NE2 3.37Å
603	C	89.2	Confident	84.1	Confident	3 Å²	3	55 Å²	55	2%	0.02	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65	156.6	169.3	-82.5	0	0	0	0	111.9	G582 S607 V609 C623	G582-C603 PolarHBondContact O-N 3.43Å; C603-S607 WeakPolarHBondContact CB-OG 3.37Å; C603-V609 HydrophobicContact CB-CG2 4.42Å; C603-C623 WeakPolarHBondContact CA-SG 3.1Å; C603-C623 HydrophobicContact CB-CB 3.85Å; C603-C623 WeakPolarHBondContact CB-SG 3.33Å; C603-C623 WeakPolarHBondContact SG-CB 3.49Å; C603-C623 CovalentContact SG-SG 2.04Å; C603-C623 PolarHBondContact SG-SG 3.43Å
604	P	89.9	Confident	83.6	Confident	54 Å²	54	50.7 Å²	50.7	35%	0.351	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-53.3	156.3	174.9	-25.6	34.5	0	0	0	112.8	S607 V619	P604-S607 WeakPolarHBondContact CD-OG 3.3Å; P604-S607 PolarHBondContact O-N 2.88Å; P604-S607 PolarHBondContact O-OG 3.16Å; P604-V619 HydrophobicContact CG-CG1 3.71Å
605	N	87.9	Confident	83.5	Confident	125 Å²	125	45.4 Å²	45.4	67%	0.668	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	145.4	173.4	-71.4	-13.9	0	0	0	110.3	S607	N605-S607 VanDerWaalsContact C-N 3.31Å; N605-S607 PolarHBondContact O-N 2.89Å
606	N	88.1	Confident	83.3	Confident	63 Å²	63	45.6 Å²	45.6	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	34.2	-176.6	-149.7	44.2	0	0	0	115.4	C626 T630 I631 A632	N606-C626 PolarHBondContact O-N 3.24Å; N606-C626 VanDerWaalsContact O-N 3.08Å; N606-T630 PolarHBondContact ND2-O 2.93Å; N606-I631 WeakPolarHBondContact OD1-CA 3.14Å; N606-A632 PolarHBondContact OD1-N 3.06Å
607	S	89.3	Confident	83.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.6	173.8	68.3	0	0	0	0	111.5	C603 P604 N605 H624 H635	C603-S607 WeakPolarHBondContact CB-OG 3.37Å; P604-S607 WeakPolarHBondContact CD-OG 3.3Å; P604-S607 PolarHBondContact O-N 2.88Å; P604-S607 PolarHBondContact O-OG 3.16Å; N605-S607 VanDerWaalsContact C-N 3.31Å; N605-S607 PolarHBondContact O-N 2.89Å; S607-H624 CarbonylContact C-O 3.55Å; S607-H624 WeakPolarHBondContact CA-O 3.26Å; S607-H624 WeakPolarHBondContact CB-O 3.25Å; S607-H635 WeakPolarHBondContact O-CA 3.38Å; S607-H635 WeakPolarHBondContact O-CB 3.49Å; S607-H635 PolarHBondContact O-CD2 3.27Å
608	I	85.6	Confident	83.4	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.2	177.9	61.5	177.7	0	0	0	110.1	P470 V610 C623 H624 A632 H635	P470-I608 HydrophobicContact CG-CD1 3.35Å; I608-V610 HydrophobicContact CD1-CG1 4.45Å; I608-V610 HydrophobicContact CG1-CG1 4.32Å; I608-V610 PolarHBondContact O-N 2.91Å; I608-C623 WeakPolarHBondContact O-CA 3.24Å; I608-H624 HydrophobicContact CD1-CB 4.35Å; I608-H624 HydrophobicContact CG1-CB 3.87Å; I608-H624 PolarHBondContact N-O 3.37Å; I608-H624 PolarHBondContact O-N 3.27Å; I608-A632 HydrophobicContact CG2-CB 3.98Å; I608-H635 VanDerWaalsContact CA-O 3.25Å; I608-H635 WeakPolarHBondContact CA-O 3.36Å
609	V	85	Confident	83.3	Confident	26 Å²	26	42.8 Å²	42.8	16%	0.158	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.8	177	-175.8	0	0	0	0	109	A455 C603 A622 H635	A455-V609 WeakPolarHBondContact CB-O 3.28Å; C603-V609 HydrophobicContact CB-CG2 4.42Å; V609-A622 CarbonylContact C-O 3.43Å; V609-A622 WeakPolarHBondContact CA-O 3.45Å; V609-H635 PolarHBondContact N-O 2.91Å
610	V	83.4	Confident	83.1	Confident	14 Å²	14	45.5 Å²	45.5	9%	0.085	26%	0.264	C	S	.	.			trans	-109	-9.7	171.7	-64.2	0	0	0	0	112.3	P470 I472 S473 I608 E621 A622 H624	P470-V610 HydrophobicContact CB-CG1 4.01Å; P470-V610 HydrophobicContact CG-CG1 3.99Å; I472-V610 CarbonylContact C-O 3.5Å; I472-V610 VanDerWaalsContact CA-O 3.3Å; I472-V610 WeakPolarHBondContact CA-O 3.09Å; S473-V610 PolarHBondContact N-O 3.47Å; I608-V610 HydrophobicContact CD1-CG1 4.45Å; I608-V610 HydrophobicContact CG1-CG1 4.32Å; I608-V610 PolarHBondContact O-N 2.91Å; V610-E621 WeakPolarHBondContact CG2-O 3.44Å; V610-A622 WeakPolarHBondContact CG2-O 3.47Å; V610-A622 PolarHBondContact N-O 2.98Å; V610-H624 HydrophobicContact CG1-CB 3.84Å; V610-H624 HydrophobicContact CG2-CB 4.26Å
611	G	77.1	Confident	82.9	Confident	9 Å²	9	47.9 Å²	47.9	9%	0.093	27%	0.27	C	S	.	.			trans	-69	142.7	176.9	0	0	0	0	0	112.5	A622	G611-A622 PolarHBondContact N-O 2.96Å; G611-A622 VanDerWaalsContact N-O 3.08Å
612	D	75.4	Confident	82.7	Confident	31 Å²	31	46.3 Å²	46.3	17%	0.166	26%	0.26	C	S	.	.			trans	-84.4	175.1	171.8	72.9	7.8	0	0	0	112.8	I472 S614 S615 H617	I472-D612 HydrophobicContact CD1-CB 4.32Å; I472-D612 HydrophobicContact CG2-CB 3.81Å; D612-S614 VanDerWaalsContact C-N 3.34Å; D612-S614 PolarHBondContact OD1-N 2.94Å; D612-S614 VanDerWaalsContact OD1-N 3.14Å; D612-S614 PolarHBondContact OD1-OG 3.1Å; D612-S614 WeakPolarHBondContact OD2-CB 3.22Å; D612-S614 PolarHBondContact OD2-OG 3.25Å; D612-S615 PolarHBondContact OD1-N 3.22Å; D612-S615 PolarHBondContact OD1-OG 2.61Å; D612-H617 PolarHBondContact N-NE2 3.15Å; D612-H617 PolarHBondContact O-CD2 3.15Å; D612-H617 PolarHBondContact O-NE2 3.46Å; D612-H617 IonicContact OD1-CD2 2.7Å; D612-H617 IonicContact OD1-CE1 4Å; D612-H617 IonicContact OD1-NE2 3.97Å; D612-H617 PolarHBondContact OD1-NE2 3.27Å
613	A	75	Confident	82.7	Confident	10 Å²	10	41.5 Å²	41.5	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-92.4	7.8	176	0	0	0	0	0	113.6	C576 K577 T578 F585	C576-A613 HydrophobicContact CB-CB 3.6Å; K577-A613 WeakPolarHBondContact O-CB 3.07Å; T578-A613 HydrophobicContact CG2-CB 3.96Å; F585-A613 HydrophobicContact CD2-CB 4.25Å; F585-A613 HydrophobicContact CE2-CB 3.84Å
614	S	72.8	Confident	82.5	Confident	17 Å²	17	44.4 Å²	44.4	12%	0.119	26%	0.255	C	S	.	.	S	Bend	trans	-88.9	-36.1	-174.4	-24.2	0	0	0	0	112.2	Q565 V568 D612	Q565-S614 PolarHBondContact NE2-OG 2.72Å; V568-S614 VanDerWaalsContact CG2-O 3.31Å; V568-S614 WeakPolarHBondContact CG2-O 3.38Å; D612-S614 VanDerWaalsContact C-N 3.34Å; D612-S614 PolarHBondContact OD1-N 2.94Å; D612-S614 VanDerWaalsContact OD1-N 3.14Å; D612-S614 PolarHBondContact OD1-OG 3.1Å; D612-S614 WeakPolarHBondContact OD2-CB 3.22Å; D612-S614 PolarHBondContact OD2-OG 3.25Å
615	S	75.1	Confident	82.5	Confident	48 Å²	48	47.4 Å²	47.4	34%	0.336	27%	0.267	S	S	.	.	S	Bend	trans	-124.9	159.6	-178.7	51.5	0	0	0	0	112.5	D612 H617	D612-S615 PolarHBondContact OD1-N 3.22Å; D612-S615 PolarHBondContact OD1-OG 2.61Å; S615-H617 PolarHBondContact O-CD2 2.77Å; S615-H617 PolarHBondContact OG-CE1 2.92Å; S615-H617 PolarHBondContact OG-NE2 2.77Å
616	L	77.7	Confident	82.5	Confident	73 Å²	73	42 Å²	42	38%	0.382	24%	0.239	S	C	.	.			trans	-74.3	126.2	165	-66.7	167.4	0	0	0	107.8	V568 F585 I587 I598	V568-L616 HydrophobicContact CG1-CD2 3.99Å; V568-L616 HydrophobicContact CG1-CG 4.42Å; F585-L616 HydrophobicContact CB-CD2 4.25Å; I587-L616 HydrophobicContact CB-CD1 4.27Å; I587-L616 HydrophobicContact CD1-CD1 4.22Å; I598-L616 HydrophobicContact CG1-CD2 4.31Å; I598-L616 HydrophobicContact CG2-CD2 3.95Å
617	H	81.6	Confident	82.4	Confident	19 Å²	19	40.9 Å²	40.9	9%	0.088	23%	0.231	C	C	.	.			trans	-111.5	151.6	-178.2	-68.4	-74.1	0	0	0	110.6	S473 Y584 F585 D612 S615 E621 A622	S473-H617 PolarHBondContact OG-CE1 3.47Å; S473-H617 VanDerWaalsContact OG-CE1 3.27Å; Y584-H617 HydrophobicContact CD2-CB 4.23Å; Y584-H617 WeakPolarHBondContact CE2-O 3.47Å; F585-H617 PolarHBondContact O-N 3.05Å; D612-H617 PolarHBondContact N-NE2 3.15Å; D612-H617 PolarHBondContact O-CD2 3.15Å; D612-H617 PolarHBondContact O-NE2 3.46Å; D612-H617 IonicContact OD1-CD2 2.7Å; D612-H617 IonicContact OD1-CE1 4Å; D612-H617 IonicContact OD1-NE2 3.97Å; D612-H617 PolarHBondContact OD1-NE2 3.27Å; S615-H617 PolarHBondContact O-CD2 2.77Å; S615-H617 PolarHBondContact OG-CE1 2.92Å; S615-H617 PolarHBondContact OG-NE2 2.77Å; H617-E621 HydrophobicContact CB-CB 4.25Å; H617-A622 HydrophobicContact CB-CB 3.57Å
618	T	82.8	Confident	82.3	Confident	70 Å²	70	44.5 Å²	44.5	43%	0.429	26%	0.255	S	S	.	.			trans	-78.4	164.3	161.9	62.2	0	0	0	0	110.6	T620 E621 A622	T618-T620 PolarHBondContact O-N 2.98Å; T618-T620 PolarHBondContact OG1-OG1 3Å; T618-E621 WeakPolarHBondContact CB-OE2 3.24Å; T618-E621 PolarHBondContact N-OE2 3.26Å; T618-E621 PolarHBondContact O-N 2.77Å; T618-E621 VanDerWaalsContact O-N 3.1Å; T618-E621 WeakPolarHBondContact OG1-CG 3.36Å; T618-E621 PolarHBondContact OG1-OE2 3.39Å; T618-A622 PolarHBondContact O-N 2.86Å
619	V	82.7	Confident	82.3	Confident	68 Å²	68	45.2 Å²	45.2	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-53.3	-42.1	177.6	178.7	0	0	0	0	111.5	Y584 P604 E621 C623	Y584-V619 WeakPolarHBondContact OH-CG2 3.22Å; P604-V619 HydrophobicContact CG-CG1 3.71Å; V619-E621 VanDerWaalsContact C-N 3.34Å; V619-E621 PolarHBondContact O-N 2.86Å; V619-C623 HydrophobicContact CG1-CB 4.49Å; V619-C623 WeakPolarHBondContact O-CA 3.19Å; V619-C623 WeakPolarHBondContact O-CB 3.42Å; V619-C623 PolarHBondContact O-N 2.82Å; V619-C623 PolarHBondContact O-SG 2.92Å; V619-C623 VanDerWaalsContact O-SG 3.4Å
620	T	81.4	Confident	82.4	Confident	124 Å²	124	44.1 Å²	44.1	76%	0.761	26%	0.256	S	S	*	.	H	α-helix	trans	-73.4	-24.1	-177.7	44.6	0	0	0	0	113.8	T618	T618-T620 PolarHBondContact O-N 2.98Å; T618-T620 PolarHBondContact OG1-OG1 3Å
621	E	83.5	Confident	82.6	Confident	100 Å²	100	46.6 Å²	46.6	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-85.3	-40.4	176.6	-70.2	161.7	155.6	0	0	110.8	S473 V610 H617 T618 V619	S473-E621 WeakPolarHBondContact CB-O 3.38Å; V610-E621 WeakPolarHBondContact CG2-O 3.44Å; H617-E621 HydrophobicContact CB-CB 4.25Å; T618-E621 WeakPolarHBondContact CB-OE2 3.24Å; T618-E621 PolarHBondContact N-OE2 3.26Å; T618-E621 PolarHBondContact O-N 2.77Å; T618-E621 VanDerWaalsContact O-N 3.1Å; T618-E621 WeakPolarHBondContact OG1-CG 3.36Å; T618-E621 PolarHBondContact OG1-OE2 3.39Å; V619-E621 VanDerWaalsContact C-N 3.34Å; V619-E621 PolarHBondContact O-N 2.86Å
622	A	84.7	Confident	83.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-85.5	-21.2	-177.7	0	0	0	0	0	114.9	Y584 V609 V610 G611 H617 T618	Y584-A622 HydrophobicContact CD1-CB 3.97Å; Y584-A622 HydrophobicContact CD2-CB 3.39Å; Y584-A622 HydrophobicContact CE1-CB 4.47Å; Y584-A622 HydrophobicContact CE2-CB 3.96Å; Y584-A622 HydrophobicContact CG-CB 3.41Å; Y584-A622 VanDerWaalsContact CG-CB 3.41Å; V609-A622 CarbonylContact C-O 3.43Å; V609-A622 WeakPolarHBondContact CA-O 3.45Å; V610-A622 WeakPolarHBondContact CG2-O 3.47Å; V610-A622 PolarHBondContact N-O 2.98Å; G611-A622 PolarHBondContact N-O 2.96Å; G611-A622 VanDerWaalsContact N-O 3.08Å; H617-A622 HydrophobicContact CB-CB 3.57Å; T618-A622 PolarHBondContact O-N 2.86Å
623	C	88.4	Confident	83.4	Confident	14 Å²	14	48.3 Å²	48.3	10%	0.095	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.4	-172.8	-47.3	0	0	0	0	111.1	C603 I608 V619	C603-C623 WeakPolarHBondContact CA-SG 3.1Å; C603-C623 HydrophobicContact CB-CB 3.85Å; C603-C623 WeakPolarHBondContact CB-SG 3.33Å; C603-C623 WeakPolarHBondContact SG-CB 3.49Å; C603-C623 CovalentContact SG-SG 2.04Å; C603-C623 PolarHBondContact SG-SG 3.43Å; I608-C623 WeakPolarHBondContact O-CA 3.24Å; V619-C623 HydrophobicContact CG1-CB 4.49Å; V619-C623 WeakPolarHBondContact O-CA 3.19Å; V619-C623 WeakPolarHBondContact O-CB 3.42Å; V619-C623 PolarHBondContact O-N 2.82Å; V619-C623 PolarHBondContact O-SG 2.92Å; V619-C623 VanDerWaalsContact O-SG 3.4Å
624	H	86.1	Confident	83.6	Confident	65 Å²	65	53.5 Å²	53.5	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124	171	-178.7	-87.1	0	0	0	109.6	S607 I608 V610	S607-H624 CarbonylContact C-O 3.55Å; S607-H624 WeakPolarHBondContact CA-O 3.26Å; S607-H624 WeakPolarHBondContact CB-O 3.25Å; I608-H624 HydrophobicContact CD1-CB 4.35Å; I608-H624 HydrophobicContact CG1-CB 3.87Å; I608-H624 PolarHBondContact N-O 3.37Å; I608-H624 PolarHBondContact O-N 3.27Å; V610-H624 HydrophobicContact CG1-CB 3.84Å; V610-H624 HydrophobicContact CG2-CB 4.26Å
625	L	88.9	Confident	84.1	Confident	116 Å²	116	54.9 Å²	54.9	61%	0.607	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.5	175.1	-74.9	165.3	0	0	0	109.7
626	C	87.8	Confident	84.1	Confident	12 Å²	12	54.1 Å²	54.1	8%	0.081	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.9	144.4	171	-66.5	0	0	0	0	110.4	N606 T630 C638	N606-C626 PolarHBondContact O-N 3.24Å; N606-C626 VanDerWaalsContact O-N 3.08Å; C626-T630 WeakPolarHBondContact CB-OG1 3.33Å; C626-C638 WeakPolarHBondContact CA-SG 2.99Å; C626-C638 HydrophobicContact CB-CB 3.83Å; C626-C638 WeakPolarHBondContact CB-SG 3.42Å; C626-C638 WeakPolarHBondContact SG-CB 3.45Å; C626-C638 CovalentContact SG-SG 2.04Å; C626-C638 PolarHBondContact SG-SG 2.89Å
627	E	85.7	Confident	84.1	Confident	39 Å²	39	51.5 Å²	51.5	18%	0.182	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-58.3	152.3	-179.4	-66.5	81	172.2	0	0	112	G629 T630 Y687	E627-G629 PolarHBondContact O-N 2.75Å; E627-T630 HydrophobicContact CB-CG2 4.49Å; E627-T630 PolarHBondContact N-OG1 3.47Å; E627-T630 PolarHBondContact O-N 3.05Å; E627-T630 PolarHBondContact O-OG1 3.12Å; E627-Y687 HydrophobicContact CG-CE2 4.45Å; E627-Y687 PolarHBondContact OE1-OH 2.82Å; E627-Y687 WeakPolarHBondContact OE2-CE2 3.34Å; E627-Y687 VanDerWaalsContact OE2-CZ 3.29Å; E627-Y687 PolarHBondContact OE2-OH 3.21Å
628	P	87.9	Confident	84.3	Confident	77 Å²	77	50.8 Å²	50.8	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	118.5	176.9	-25.2	34.6	0	0	0	111.8	R738 M739 V740	P628-R738 HydrophobicContact CB-CB 4Å; P628-R738 HydrophobicContact CG-CB 4.38Å; P628-R738 CarbonylContact O-C 3.42Å; P628-R738 VanDerWaalsContact O-CA 3.25Å; P628-R738 WeakPolarHBondContact O-CA 2.99Å; P628-M739 PolarHBondContact O-N 2.91Å; P628-V740 HydrophobicContact CB-CG1 4.45Å
629	G	84.5	Confident	84.4	Confident	18 Å²	18	48.6 Å²	48.6	19%	0.186	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	6.2	-176.1	0	0	0	0	0	115	E627 D641	E627-G629 PolarHBondContact O-N 2.75Å; G629-D641 VanDerWaalsContact O-CB 3.31Å; G629-D641 WeakPolarHBondContact O-CB 3.49Å; G629-D641 PolarHBondContact O-N 2.74Å
630	T	88	Confident	84.5	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	153	164.2	65.1	0	0	0	0	110.4	N606 C626 E627 V639 Y687 L736	N606-T630 PolarHBondContact ND2-O 2.93Å; C626-T630 WeakPolarHBondContact CB-OG1 3.33Å; E627-T630 HydrophobicContact CB-CG2 4.49Å; E627-T630 PolarHBondContact N-OG1 3.47Å; E627-T630 PolarHBondContact O-N 3.05Å; E627-T630 PolarHBondContact O-OG1 3.12Å; T630-V639 CarbonylContact C-O 3.43Å; T630-V639 WeakPolarHBondContact CA-O 3.07Å; T630-V639 WeakPolarHBondContact CB-O 3.34Å; T630-Y687 HydrophobicContact CG2-CD2 3.5Å; T630-Y687 VanDerWaalsContact CG2-CD2 3.5Å; T630-Y687 HydrophobicContact CG2-CE2 3.94Å; T630-Y687 HydrophobicContact CG2-CG 3.83Å; T630-L736 HydrophobicContact CG2-CD2 4.2Å
631	I	88.5	Confident	84.8	Confident	67 Å²	67	41.6 Å²	41.6	34%	0.344	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.9	177.6	57.4	169.2	0	0	0	112.2	N606 V633 C638 V639 D641	N606-I631 WeakPolarHBondContact OD1-CA 3.14Å; I631-V633 PolarHBondContact O-N 3.19Å; I631-C638 WeakPolarHBondContact O-CA 3.42Å; I631-V639 HydrophobicContact CD1-CG2 4.37Å; I631-V639 HydrophobicContact CG1-CG2 3.75Å; I631-V639 PolarHBondContact N-O 2.84Å; I631-V639 PolarHBondContact O-N 3.4Å; I631-D641 HydrophobicContact CG2-CB 3.97Å
632	A	86.5	Confident	85.1	Confident	23 Å²	23	38.8 Å²	38.8	19%	0.19	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.2	174.5	0	0	0	0	0	111	N606 I608 I637	N606-A632 PolarHBondContact OD1-N 3.06Å; I608-A632 HydrophobicContact CG2-CB 3.98Å; A632-I637 CarbonylContact C-O 3.35Å; A632-I637 WeakPolarHBondContact CA-O 3.41Å
633	V	82.6	Confident	85.2	Confident	52 Å²	52	42.9 Å²	42.9	32%	0.315	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.7	172.6	179.4	0	0	0	0	109.1	I631 H635 S636 I637 V639	I631-V633 PolarHBondContact O-N 3.19Å; V633-H635 PolarHBondContact O-N 2.6Å; V633-S636 PolarHBondContact O-N 3.21Å; V633-S636 PolarHBondContact O-OG 3.03Å; V633-I637 HydrophobicContact CB-CG2 4.01Å; V633-I637 PolarHBondContact N-O 3.08Å; V633-I637 PolarHBondContact O-N 3.34Å; V633-V639 HydrophobicContact CG2-CG1 4.22Å; V633-V639 HydrophobicContact CG2-CG2 3.51Å
634	N	79.1	Confident	85.1	Confident	120 Å²	120	42.8 Å²	42.8	64%	0.642	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	19.8	-177.7	-60.8	-30.1	0	0	0	114.7	S636	N634-S636 PolarHBondContact O-N 3.23Å
635	H	82.9	Confident	85	Confident	46 Å²	46	45.1 Å²	45.1	21%	0.213	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	31	-170.3	-52.7	80.3	0	0	0	113.2	K602 S607 I608 V609 V633	K602-H635 WeakPolarHBondContact CE-NE2 3.37Å; S607-H635 WeakPolarHBondContact O-CA 3.38Å; S607-H635 WeakPolarHBondContact O-CB 3.49Å; S607-H635 PolarHBondContact O-CD2 3.27Å; I608-H635 VanDerWaalsContact CA-O 3.25Å; I608-H635 WeakPolarHBondContact CA-O 3.36Å; V609-H635 PolarHBondContact N-O 2.91Å; V633-H635 PolarHBondContact O-N 2.6Å
636	S	74.8	Confident	84.4	Confident	32 Å²	32	40.2 Å²	40.2	22%	0.224	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-34.5	-175.2	62.4	0	0	0	0	113	V633 N634	V633-S636 PolarHBondContact O-N 3.21Å; V633-S636 PolarHBondContact O-OG 3.03Å; N634-S636 PolarHBondContact O-N 3.23Å
637	I	78.6	Confident	83.6	Confident	17 Å²	17	44.6 Å²	44.6	9%	0.087	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.9	-177.1	-165.5	167.7	0	0	0	110.6	Y464 Y467 A632 V633 V639	Y464-I637 HydrophobicContact CD1-CD1 4.42Å; Y467-I637 HydrophobicContact CD2-CD1 4.31Å; Y467-I637 HydrophobicContact CG-CD1 4.07Å; A632-I637 CarbonylContact C-O 3.35Å; A632-I637 WeakPolarHBondContact CA-O 3.41Å; V633-I637 HydrophobicContact CB-CG2 4.01Å; V633-I637 PolarHBondContact N-O 3.08Å; V633-I637 PolarHBondContact O-N 3.34Å; I637-V639 HydrophobicContact CG2-CG1 4.25Å
638	C	84.8	Confident	83	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132	171.3	-59.2	0	0	0	0	109.5	C626 I631 Y687	C626-C638 WeakPolarHBondContact CA-SG 2.99Å; C626-C638 HydrophobicContact CB-CB 3.83Å; C626-C638 WeakPolarHBondContact CB-SG 3.42Å; C626-C638 WeakPolarHBondContact SG-CB 3.45Å; C626-C638 CovalentContact SG-SG 2.04Å; C626-C638 PolarHBondContact SG-SG 2.89Å; I631-C638 WeakPolarHBondContact O-CA 3.42Å; C638-Y687 HydrophobicContact CB-CE1 3.97Å; C638-Y687 VanDerWaalsContact O-CD1 3.25Å; C638-Y687 WeakPolarHBondContact O-CD1 3.1Å
639	V	84.6	Confident	82.6	Confident	24 Å²	24	43.1 Å²	43.1	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.8	176.5	-55.9	0	0	0	0	110.3	Y467 T630 I631 V633 I637 D641	Y467-V639 HydrophobicContact CE1-CG1 4.48Å; T630-V639 CarbonylContact C-O 3.43Å; T630-V639 WeakPolarHBondContact CA-O 3.07Å; T630-V639 WeakPolarHBondContact CB-O 3.34Å; I631-V639 HydrophobicContact CD1-CG2 4.37Å; I631-V639 HydrophobicContact CG1-CG2 3.75Å; I631-V639 PolarHBondContact N-O 2.84Å; I631-V639 PolarHBondContact O-N 3.4Å; V633-V639 HydrophobicContact CG2-CG1 4.22Å; V633-V639 HydrophobicContact CG2-CG2 3.51Å; I637-V639 HydrophobicContact CG2-CG1 4.25Å; V639-D641 PolarHBondContact O-N 2.78Å
640	T	85.7	Confident	82.4	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	132.9	177.2	-53.4	0	0	0	0	111.6	T642 I658 Y687	T640-T642 PolarHBondContact O-N 2.73Å; T640-I658 HydrophobicContact CG2-CD1 3.73Å; T640-I658 HydrophobicContact CG2-CG1 3.75Å; T640-Y687 VanDerWaalsContact OG1-CB 3.26Å; T640-Y687 WeakPolarHBondContact OG1-CB 3.05Å; T640-Y687 PolarHBondContact OG1-N 3.48Å
641	D	87.8	Confident	82.4	Confident	35 Å²	35	47.7 Å²	47.7	19%	0.187	28%	0.282	C	S	.	.			trans	-69	111.4	170.7	-172.1	-2.1	0	0	0	109.6	G629 I631 V639 Q643 P644 M739	G629-D641 VanDerWaalsContact O-CB 3.31Å; G629-D641 WeakPolarHBondContact O-CB 3.49Å; G629-D641 PolarHBondContact O-N 2.74Å; I631-D641 HydrophobicContact CG2-CB 3.97Å; V639-D641 PolarHBondContact O-N 2.78Å; D641-Q643 PolarHBondContact OD1-N 3.28Å; D641-P644 WeakPolarHBondContact OD2-CA 3.32Å; D641-M739 HydrophobicContact CB-CE 4.18Å
642	T	88.6	Confident	82.4	Confident	40 Å²	40	44.6 Å²	44.6	25%	0.245	27%	0.266	C	S	.	.	S	Bend	trans	-84.6	-11.2	179.8	66.2	0	0	0	0	112.9	T640 L654 T655 I658	T640-T642 PolarHBondContact O-N 2.73Å; T642-L654 WeakPolarHBondContact O-CB 3.4Å; T642-L654 PolarHBondContact O-N 3.39Å; T642-T655 PolarHBondContact OG1-OG1 2.02Å; T642-I658 HydrophobicContact CG2-CG2 3.87Å
643	Q	87.9	Confident	82.4	Confident	86 Å²	86	45.4 Å²	45.4	40%	0.402	27%	0.267	S	S	.	.	S	Bend	trans	-134.6	60.4	-178.9	-60.9	-174.5	14.3	0	0	111.9	D641 Y652 N653	D641-Q643 PolarHBondContact OD1-N 3.28Å; Q643-Y652 CarbonylContact C-O 3.49Å; Q643-Y652 VanDerWaalsContact CA-O 3.24Å; Q643-Y652 WeakPolarHBondContact CA-O 3.31Å; Q643-N653 HydrophobicContact CG-CB 4.36Å
644	P	85.5	Confident	82.7	Confident	13 Å²	13	43 Å²	43	8%	0.084	25%	0.252	C	S	.	.			trans	-68.1	143.1	-174	28.9	-34.7	0	0	0	111.5	D641 Y652 L654 M739	D641-P644 WeakPolarHBondContact OD2-CA 3.32Å; P644-Y652 PolarHBondContact O-N 2.96Å; P644-L654 HydrophobicContact CG-CD1 4.12Å; P644-M739 HydrophobicContact CB-CE 3.71Å; P644-M739 HydrophobicContact CG-CE 3.7Å
645	I	83.4	Confident	83	Confident	114 Å²	114	40.2 Å²	40.2	59%	0.585	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-113	121.8	173.6	-53.6	176.3	0	0	0	108.2	F650 Q651	I645-F650 CarbonylContact C-O 3.37Å; I645-F650 WeakPolarHBondContact CA-O 3.29Å; I645-Q651 HydrophobicContact CG1-CB 4.3Å; I645-Q651 HydrophobicContact CG1-CG 4.15Å
646	T	77.2	Confident	82.9	Confident	12 Å²	12	41.8 Å²	41.8	7%	0.074	25%	0.25	C	C	.	.			trans	-73.2	163.5	179	67.5	0	0	0	0	111.6	S648 G649 F650 Y652 P741	T646-S648 PolarHBondContact O-N 3.06Å; T646-S648 VanDerWaalsContact O-N 3.15Å; T646-S648 PolarHBondContact OG1-N 3.13Å; T646-S648 PolarHBondContact OG1-OG 2.93Å; T646-G649 WeakPolarHBondContact O-CA 3.35Å; T646-G649 PolarHBondContact O-N 3.5Å; T646-F650 HydrophobicContact CG2-CB 4.13Å; T646-F650 PolarHBondContact N-O 3.42Å; T646-F650 VanDerWaalsContact OG1-CB 3.31Å; T646-F650 WeakPolarHBondContact OG1-CB 3.36Å; T646-F650 PolarHBondContact OG1-N 3.46Å; T646-F650 PolarHBondContact OG1-O 3.16Å; T646-Y652 HydrophobicContact CG2-CD2 4.36Å; T646-Y652 HydrophobicContact CG2-CE2 3.68Å; T646-P741 HydrophobicContact CG2-CB 3.83Å; T646-P741 HydrophobicContact CG2-CG 3.89Å
647	A	70.8	Confident	83.2	Confident	105 Å²	105	40.3 Å²	40.3	87%	0.868	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.3	172.8	0	0	0	0	0	113.2	G649	A647-G649 PolarHBondContact O-N 3.45Å
648	S	72.3	Confident	83.5	Confident	55 Å²	55	39.7 Å²	39.7	39%	0.385	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.2	173.3	57.6	0	0	0	0	114.1	T646 F650	T646-S648 PolarHBondContact O-N 3.06Å; T646-S648 VanDerWaalsContact O-N 3.15Å; T646-S648 PolarHBondContact OG1-N 3.13Å; T646-S648 PolarHBondContact OG1-OG 2.93Å; S648-F650 WeakPolarHBondContact OG-CD2 3.28Å; S648-F650 VanDerWaalsContact OG-CE2 3.25Å; S648-F650 WeakPolarHBondContact OG-CE2 3.42Å
649	G	80	Confident	83.4	Confident	29 Å²	29	43.6 Å²	43.6	30%	0.299	26%	0.257	S	S	.	.			trans	83.8	9.7	-178.7	0	0	0	0	0	114.7	T646 A647 Q651 Q849	T646-G649 WeakPolarHBondContact O-CA 3.35Å; T646-G649 PolarHBondContact O-N 3.5Å; A647-G649 PolarHBondContact O-N 3.45Å; G649-Q651 PolarHBondContact O-N 2.81Å; G649-Q849 PolarHBondContact O-NE2 2.78Å
650	F	81.7	Confident	83.4	Confident	34 Å²	34	48.9 Å²	48.9	15%	0.149	27%	0.274	C	S	.	.			trans	-77.3	120.6	176.8	-57.4	-33.8	0	0	0	110.1	I645 T646 S648 Y652 N768 R846	I645-F650 CarbonylContact C-O 3.37Å; I645-F650 WeakPolarHBondContact CA-O 3.29Å; T646-F650 HydrophobicContact CG2-CB 4.13Å; T646-F650 PolarHBondContact N-O 3.42Å; T646-F650 VanDerWaalsContact OG1-CB 3.31Å; T646-F650 WeakPolarHBondContact OG1-CB 3.36Å; T646-F650 PolarHBondContact OG1-N 3.46Å; T646-F650 PolarHBondContact OG1-O 3.16Å; S648-F650 WeakPolarHBondContact OG-CD2 3.28Å; S648-F650 VanDerWaalsContact OG-CE2 3.25Å; S648-F650 WeakPolarHBondContact OG-CE2 3.42Å; F650-Y652 HydrophobicContact CB-CE2 4.15Å; F650-N768 VanDerWaalsContact CE2-OD1 3.24Å; F650-N768 WeakPolarHBondContact CE2-OD1 3.44Å; F650-R846 HydrophobicContact CB-CB 4.04Å; F650-R846 HydrophobicContact CG-CB 4.44Å
651	Q	87.2	Confident	83.6	Confident	82 Å²	82	51 Å²	51	38%	0.383	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-93.9	139	176.2	-176	176	12.9	0	0	109.8	I645 G649 R846 M847	I645-Q651 HydrophobicContact CG1-CB 4.3Å; I645-Q651 HydrophobicContact CG1-CG 4.15Å; G649-Q651 PolarHBondContact O-N 2.81Å; Q651-R846 CarbonylContact O-C 3.4Å; Q651-M847 HydrophobicContact CB-CB 4.37Å; Q651-M847 HydrophobicContact CG-CG 4.4Å; Q651-M847 WeakPolarHBondContact O-CB 3.49Å; Q651-M847 WeakPolarHBondContact O-CG 3.5Å; Q651-M847 PolarHBondContact O-N 2.82Å
652	Y	87.4	Confident	83.7	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.008	28%	0.283	C	S	.	.			trans	-114.3	165.1	170.2	-64.8	-94.7	0	0	0	110.1	Q643 P644 T646 F650 N768 L770 G844 R846	Q643-Y652 CarbonylContact C-O 3.49Å; Q643-Y652 VanDerWaalsContact CA-O 3.24Å; Q643-Y652 WeakPolarHBondContact CA-O 3.31Å; P644-Y652 PolarHBondContact O-N 2.96Å; T646-Y652 HydrophobicContact CG2-CD2 4.36Å; T646-Y652 HydrophobicContact CG2-CE2 3.68Å; F650-Y652 HydrophobicContact CB-CE2 4.15Å; Y652-N768 PolarHBondContact OH-O 2.79Å; Y652-L770 HydrophobicContact CD1-CD1 3.74Å; Y652-L770 HydrophobicContact CD2-CD1 3.9Å; Y652-L770 HydrophobicContact CD2-CD2 4.37Å; Y652-L770 HydrophobicContact CD2-CG 4.48Å; Y652-L770 HydrophobicContact CE1-CD1 3.96Å; Y652-L770 HydrophobicContact CE1-CG 4.37Å; Y652-L770 HydrophobicContact CE2-CD1 4.1Å; Y652-L770 HydrophobicContact CE2-CD2 4.1Å; Y652-L770 HydrophobicContact CE2-CG 4.23Å; Y652-L770 HydrophobicContact CG-CD1 3.72Å; Y652-G844 WeakPolarHBondContact CE1-O 3.49Å; Y652-R846 HydrophobicContact CE1-CB 4.21Å
653	N	87.9	Confident	83.8	Confident	41 Å²	41	54.2 Å²	54.2	22%	0.219	30%	0.298	C	S	.	.			trans	-142	111.4	170.8	175.9	-4.8	0	0	0	109	Q643 T655 M847 R876	Q643-N653 HydrophobicContact CG-CB 4.36Å; N653-T655 PolarHBondContact OD1-N 2.91Å; N653-T655 PolarHBondContact OD1-OG1 2.78Å; N653-T655 VanDerWaalsContact OD1-OG1 3.13Å; N653-M847 HydrophobicContact CB-SD 4.1Å; N653-R876 PolarHBondContact O-NH2 3.18Å
654	L	88.1	Confident	84	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.			trans	-116.8	6.4	-170.1	-54.9	170.1	0	0	0	112	T642 P644 D656 V657 I658 M739 Y772 L793	T642-L654 WeakPolarHBondContact O-CB 3.4Å; T642-L654 PolarHBondContact O-N 3.39Å; P644-L654 HydrophobicContact CG-CD1 4.12Å; L654-D656 VanDerWaalsContact C-N 3.26Å; L654-D656 PolarHBondContact O-N 2.9Å; L654-V657 HydrophobicContact CB-CG1 4.24Å; L654-V657 HydrophobicContact CD2-CG1 4.44Å; L654-V657 WeakPolarHBondContact O-CG1 3.3Å; L654-V657 PolarHBondContact O-N 2.83Å; L654-V657 VanDerWaalsContact O-N 3.09Å; L654-I658 PolarHBondContact O-N 2.98Å; L654-M739 HydrophobicContact CD1-SD 4.3Å; L654-Y772 WeakPolarHBondContact CD1-OH 3.15Å; L654-L793 HydrophobicContact CD2-CD2 3.77Å
655	T	85	Confident	84.2	Confident	63 Å²	63	52.8 Å²	52.8	39%	0.387	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.3	-173.4	-52.9	0	0	0	0	112.2	T642 N653 V657	T642-T655 PolarHBondContact OG1-OG1 2.02Å; N653-T655 PolarHBondContact OD1-N 2.91Å; N653-T655 PolarHBondContact OD1-OG1 2.78Å; N653-T655 VanDerWaalsContact OD1-OG1 3.13Å; T655-V657 VanDerWaalsContact C-N 3.26Å; T655-V657 PolarHBondContact O-N 2.83Å
656	D	80.8	Confident	84.3	Confident	78 Å²	78	47.9 Å²	47.9	42%	0.417	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.6	-175.9	-59.7	-37.5	0	0	0	114.8	L654 R660 Y843	L654-D656 VanDerWaalsContact C-N 3.26Å; L654-D656 PolarHBondContact O-N 2.9Å; D656-R660 PolarHBondContact O-NE 2.89Å; D656-Y843 HydrophobicContact CB-CE1 4.18Å
657	V	82.7	Confident	84.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-25.9	-169.1	78.6	0	0	0	0	114	L654 T655 D659 R660 W839 Y843	L654-V657 HydrophobicContact CB-CG1 4.24Å; L654-V657 HydrophobicContact CD2-CG1 4.44Å; L654-V657 WeakPolarHBondContact O-CG1 3.3Å; L654-V657 PolarHBondContact O-N 2.83Å; L654-V657 VanDerWaalsContact O-N 3.09Å; T655-V657 VanDerWaalsContact C-N 3.26Å; T655-V657 PolarHBondContact O-N 2.83Å; V657-D659 VanDerWaalsContact C-N 3.31Å; V657-D659 PolarHBondContact O-N 2.9Å; V657-R660 WeakPolarHBondContact O-CB 3.46Å; V657-R660 PolarHBondContact O-N 2.96Å; V657-R660 VanDerWaalsContact O-N 3.14Å; V657-W839 HydrophobicContact CB-CH2 4.26Å; V657-W839 HydrophobicContact CB-CZ2 4.49Å; V657-W839 HydrophobicContact CG1-CH2 3.69Å; V657-W839 HydrophobicContact CG1-CZ2 4.27Å; V657-W839 HydrophobicContact CG2-CH2 3.57Å; V657-W839 HydrophobicContact CG2-CZ2 3.45Å; V657-W839 VanDerWaalsContact CG2-CZ2 3.45Å; V657-Y843 HydrophobicContact CB-CD1 4.46Å; V657-Y843 HydrophobicContact CB-CD2 4.04Å; V657-Y843 HydrophobicContact CB-CE2 4.1Å; V657-Y843 HydrophobicContact CB-CG 4.24Å; V657-Y843 HydrophobicContact CG1-CD1 4.13Å; V657-Y843 HydrophobicContact CG1-CD2 4.17Å; V657-Y843 HydrophobicContact CG1-CG 3.9Å; V657-Y843 HydrophobicContact CG2-CD2 4.05Å; V657-Y843 HydrophobicContact CG2-CE2 4.2Å
658	I	84.6	Confident	85.2	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.6	-172	-159.2	70.8	0	0	0	113.9	T640 T642 L654 R660 M685 A686 Y772	T640-I658 HydrophobicContact CG2-CD1 3.73Å; T640-I658 HydrophobicContact CG2-CG1 3.75Å; T642-I658 HydrophobicContact CG2-CG2 3.87Å; L654-I658 PolarHBondContact O-N 2.98Å; I658-R660 VanDerWaalsContact C-N 3.31Å; I658-R660 PolarHBondContact O-N 3.41Å; I658-M685 HydrophobicContact CD1-CB 3.58Å; I658-M685 HydrophobicContact CG1-CB 4.3Å; I658-A686 PolarHBondContact O-N 2.81Å; I658-Y772 HydrophobicContact CD1-CE1 4.16Å
659	D	82.6	Confident	85.6	Confident	87 Å²	87	49.7 Å²	49.7	47%	0.465	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.5	-177.9	-74.4	-32.2	0	0	0	113.5	V657 K689	V657-D659 VanDerWaalsContact C-N 3.31Å; V657-D659 PolarHBondContact O-N 2.9Å; D659-K689 PolarHBondContact O-NZ 2.05Å
660	R	84.4	Confident	85.4	Confident	134 Å²	134	54.3 Å²	54.3	51%	0.506	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-77.9	140.5	-179.7	-64	-176.8	-178.5	-113.6	-1.5	110.7	D656 V657 I658	D656-R660 PolarHBondContact O-NE 2.89Å; V657-R660 WeakPolarHBondContact O-CB 3.46Å; V657-R660 PolarHBondContact O-N 2.96Å; V657-R660 VanDerWaalsContact O-N 3.14Å; I658-R660 VanDerWaalsContact C-N 3.31Å; I658-R660 PolarHBondContact O-N 3.41Å
661	V	89.2	Confident	84.8	Confident	57 Å²	57	53.1 Å²	53.1	35%	0.345	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.1	168.9	178.3	0	0	0	0	108.2	I683 V691	V661-I683 CarbonylContact C-O 3.5Å; V661-I683 WeakPolarHBondContact CA-O 3.5Å; V661-V691 HydrophobicContact CB-CG1 4.4Å; V661-V691 HydrophobicContact CG1-CG1 3.71Å; V661-V691 HydrophobicContact CG2-CG1 3.78Å
662	H	90.9	Very high	83.4	Confident	20 Å²	20	51.9 Å²	51.9	9%	0.093	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.2	177.4	-62.6	-93	0	0	0	110.8	I683 I819 W839	H662-I683 HydrophobicContact CB-CB 4.23Å; H662-I683 PolarHBondContact N-O 2.83Å; H662-I683 PolarHBondContact O-N 2.83Å; H662-I819 HydrophobicContact CB-CD1 3.5Å; H662-I819 VanDerWaalsContact CB-CD1 3.5Å; H662-W839 AromaticContact CE1-CE2 3.98Å; H662-W839 AromaticContact CE1-CZ2 3.59Å; H662-W839 AromaticContact NE2-CH2 3.86Å; H662-W839 AromaticContact NE2-CZ2 3.81Å
663	H	90.9	Very high	82.2	Confident	122 Å²	122	52.8 Å²	52.8	57%	0.565	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	122.4	175.7	-68.4	-107.3	0	0	0	109.1	E680 F681 L682	H663-E680 IonicContact ND1-OE1 2.79Å; H663-E680 PolarHBondContact ND1-OE1 3.26Å; H663-F681 WeakPolarHBondContact CA-O 3.27Å; H663-L682 WeakPolarHBondContact CE1-CD2 3.34Å; H663-L682 WeakPolarHBondContact ND1-CD2 3.09Å
664	V	91.3	Very high	81.3	Confident	8 Å²	8	53.2 Å²	53.2	5%	0.048	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.7	176.5	-169.6	0	0	0	0	108.2	E680 F681 I683 I819 L821	V664-E680 CarbonylContact O-C 3.51Å; V664-E680 WeakPolarHBondContact O-CA 3.43Å; V664-F681 HydrophobicContact CB-CB 4.18Å; V664-F681 HydrophobicContact CB-CD2 4.39Å; V664-F681 PolarHBondContact N-O 2.84Å; V664-F681 PolarHBondContact O-N 2.74Å; V664-I683 HydrophobicContact CG2-CD1 3.81Å; V664-I819 HydrophobicContact CG2-CB 3.62Å; V664-I819 HydrophobicContact CG2-CD1 4.33Å; V664-I819 HydrophobicContact CG2-CG1 4.48Å; V664-I819 HydrophobicContact CG2-CG2 3.64Å; V664-L821 HydrophobicContact CG1-CD1 4.37Å; V664-L821 HydrophobicContact CG1-CD2 4.3Å; V664-L821 HydrophobicContact CG1-CG 4.06Å
665	S	89.9	Confident	80.6	Confident	61 Å²	61	55.1 Å²	55.1	43%	0.427	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.1	175.7	-65.8	0	0	0	0	110.3	H679	S665-H679 CarbonylContact C-O 3.6Å; S665-H679 VanDerWaalsContact CA-O 3.29Å; S665-H679 WeakPolarHBondContact CA-O 3.49Å
666	S	85.8	Confident	80.4	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.07	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.9	163.8	169.9	75.5	0	0	0	0	111.3	Y678 H679	S666-Y678 WeakPolarHBondContact OG-CA 3.27Å; S666-Y678 WeakPolarHBondContact OG-CB 3.26Å; S666-H679 PolarHBondContact N-O 2.96Å; S666-H679 PolarHBondContact OG-N 2.95Å
667	P	83.5	Confident	80.5	Confident	75 Å²	75	49 Å²	49	49%	0.487	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-51.8	147.5	162.6	-24.3	35.1	0	0	0	110.9	M669 P826	P667-M669 PolarHBondContact O-N 2.97Å; P667-P826 HydrophobicContact CG-CB 3.89Å
668	K	83.4	Confident	80.6	Confident	96 Å²	96	50.3 Å²	50.3	42%	0.417	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-67.2	122.1	177.8	-176.2	175.5	-178	168.8	0	109.8	F670 E716	K668-F670 HydrophobicContact CD-CE1 4.28Å; K668-F670 HydrophobicContact CD-CE2 4.47Å; K668-F670 HydrophobicContact CD-CZ 3.84Å; K668-F670 HydrophobicContact CG-CE2 4.23Å; K668-F670 HydrophobicContact CG-CZ 4.03Å; K668-E716 VanDerWaalsContact CE-CD 3.5Å; K668-E716 VanDerWaalsContact CE-OE1 3.27Å; K668-E716 WeakPolarHBondContact CE-OE1 3.39Å; K668-E716 WeakPolarHBondContact CE-OE2 3.38Å; K668-E716 IonicContact NZ-OE1 3.89Å; K668-E716 PolarHBondContact NZ-OE1 2.8Å; K668-E716 IonicContact NZ-OE2 2.68Å; K668-E716 PolarHBondContact NZ-OE2 2.91Å
669	M	79.9	Confident	80.8	Confident	40 Å²	40	50.1 Å²	50.1	20%	0.197	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	165	173	-65.6	179.6	-79.7	0	0	109.9	P667 G676 Y677	P667-M669 PolarHBondContact O-N 2.97Å; M669-G676 CarbonylContact O-C 3.56Å; M669-G676 WeakPolarHBondContact O-CA 3.24Å; M669-Y677 HydrophobicContact CB-CD1 4.18Å; M669-Y677 HydrophobicContact CB-CD2 4.31Å; M669-Y677 HydrophobicContact CB-CE1 3.66Å; M669-Y677 HydrophobicContact CB-CE2 3.82Å; M669-Y677 HydrophobicContact CB-CG 4.47Å; M669-Y677 VanDerWaalsContact CB-CZ 3.44Å; M669-Y677 HydrophobicContact CE-CD2 4.19Å; M669-Y677 HydrophobicContact CE-CE2 3.58Å; M669-Y677 PolarHBondContact N-O 2.77Å; M669-Y677 PolarHBondContact O-N 2.86Å; M669-Y677 HydrophobicContact SD-CE2 4.12Å
670	F	76.5	Confident	81.2	Confident	125 Å²	125	46.7 Å²	46.7	55%	0.548	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.3	-176.7	-64.3	-88.8	0	0	0	110.6	K668 T675	K668-F670 HydrophobicContact CD-CE1 4.28Å; K668-F670 HydrophobicContact CD-CE2 4.47Å; K668-F670 HydrophobicContact CD-CZ 3.84Å; K668-F670 HydrophobicContact CG-CE2 4.23Å; K668-F670 HydrophobicContact CG-CZ 4.03Å; F670-T675 WeakPolarHBondContact CA-O 3.32Å
671	T	68.9	Low	81.7	Confident	9 Å²	9	40.3 Å²	40.3	6%	0.055	23%	0.227	C	C	.	.			trans	-65.8	165.7	169.6	65.8	0	0	0	0	110	F171 S673 G674 T675 Y677 F715	F171-T671 HydrophobicContact CD1-CG2 4.19Å; F171-T671 HydrophobicContact CE1-CG2 3.27Å; F171-T671 HydrophobicContact CE2-CG2 4.43Å; F171-T671 HydrophobicContact CZ-CG2 3.43Å; F171-T671 VanDerWaalsContact CZ-CG2 3.43Å; T671-S673 PolarHBondContact O-N 3.34Å; T671-S673 PolarHBondContact OG1-N 2.88Å; T671-S673 PolarHBondContact OG1-OG 2.94Å; T671-G674 PolarHBondContact O-N 2.96Å; T671-G674 PolarHBondContact OG1-N 3.08Å; T671-T675 WeakPolarHBondContact CG2-O 2.98Å; T671-T675 PolarHBondContact N-O 3.05Å; T671-T675 WeakPolarHBondContact OG1-CB 3.48Å; T671-T675 PolarHBondContact OG1-N 2.93Å; T671-T675 PolarHBondContact OG1-O 3.01Å; T671-Y677 HydrophobicContact CG2-CD1 3.73Å; T671-Y677 HydrophobicContact CG2-CE1 4.07Å; T671-F715 HydrophobicContact CG2-CE1 4.39Å
672	P	57.7	Low	81.9	Confident	56 Å²	56	38.4 Å²	38.4	36%	0.364	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.2	170.3	-25.6	34.9	0	0	0	114.1	F171 Y214 L216 G674	F171-P672 HydrophobicContact CD2-CG 4.47Å; Y214-P672 HydrophobicContact CD1-CB 4.2Å; Y214-P672 HydrophobicContact CD1-CG 4.23Å; Y214-P672 HydrophobicContact CE1-CB 4.28Å; L216-P672 HydrophobicContact CD2-CG 3.35Å; P672-G674 VanDerWaalsContact C-N 3.32Å
673	S	61.5	Low	82.1	Confident	22 Å²	22	37.4 Å²	37.4	15%	0.154	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.2	172.2	53.4	0	0	0	0	114.2	S186 T671 T675	S186-S673 WeakPolarHBondContact CB-OG 3.49Å; S186-S673 PolarHBondContact OG-OG 2.85Å; T671-S673 PolarHBondContact O-N 3.34Å; T671-S673 PolarHBondContact OG1-N 2.88Å; T671-S673 PolarHBondContact OG1-OG 2.94Å; S673-T675 VanDerWaalsContact C-N 3.29Å; S673-T675 PolarHBondContact O-N 2.89Å; S673-T675 PolarHBondContact OG-OG1 3.26Å
674	G	70.6	Confident	82.1	Confident	49 Å²	49	31.6 Å²	31.6	51%	0.505	18%	0.184	S	C	.	.			trans	76.2	12	-175.2	0	0	0	0	0	114.3	T671 P672	T671-G674 PolarHBondContact O-N 2.96Å; T671-G674 PolarHBondContact OG1-N 3.08Å; P672-G674 VanDerWaalsContact C-N 3.32Å
675	T	73.5	Confident	81.9	Confident	40 Å²	40	31.3 Å²	31.3	25%	0.245	18%	0.182	C	C	.	.			trans	-75.8	127	174.8	-55.3	0	0	0	0	109.4	F670 T671 S673	F670-T675 WeakPolarHBondContact CA-O 3.32Å; T671-T675 WeakPolarHBondContact CG2-O 2.98Å; T671-T675 PolarHBondContact N-O 3.05Å; T671-T675 WeakPolarHBondContact OG1-CB 3.48Å; T671-T675 PolarHBondContact OG1-N 2.93Å; T671-T675 PolarHBondContact OG1-O 3.01Å; S673-T675 VanDerWaalsContact C-N 3.29Å; S673-T675 PolarHBondContact O-N 2.89Å; S673-T675 PolarHBondContact OG-OG1 3.26Å
676	G	78.9	Confident	81.7	Confident	3 Å²	3	28.5 Å²	28.5	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.1	176.1	0	0	0	0	0	112.2	M669 E716	M669-G676 CarbonylContact O-C 3.56Å; M669-G676 WeakPolarHBondContact O-CA 3.24Å; G676-E716 PolarHBondContact O-N 3.35Å
677	Y	82.8	Confident	81.6	Confident	10 Å²	10	28.4 Å²	28.4	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.5	170.5	72.4	-84.8	0	0	0	111.2	L169 M669 T671 T713 R714 F715	L169-Y677 HydrophobicContact CD1-CE1 4.27Å; L169-Y677 HydrophobicContact CD1-CE2 3.97Å; L169-Y677 WeakPolarHBondContact CD1-OH 3.13Å; M669-Y677 HydrophobicContact CB-CD1 4.18Å; M669-Y677 HydrophobicContact CB-CD2 4.31Å; M669-Y677 HydrophobicContact CB-CE1 3.66Å; M669-Y677 HydrophobicContact CB-CE2 3.82Å; M669-Y677 HydrophobicContact CB-CG 4.47Å; M669-Y677 VanDerWaalsContact CB-CZ 3.44Å; M669-Y677 HydrophobicContact CE-CD2 4.19Å; M669-Y677 HydrophobicContact CE-CE2 3.58Å; M669-Y677 PolarHBondContact N-O 2.77Å; M669-Y677 PolarHBondContact O-N 2.86Å; M669-Y677 HydrophobicContact SD-CE2 4.12Å; T671-Y677 HydrophobicContact CG2-CD1 3.73Å; T671-Y677 HydrophobicContact CG2-CE1 4.07Å; Y677-T713 HydrophobicContact CD2-CG2 3.84Å; Y677-R714 VanDerWaalsContact CA-O 3.31Å; Y677-R714 WeakPolarHBondContact CA-O 3.33Å; Y677-F715 HydrophobicContact CG-CE1 4.09Å
678	Y	86.2	Confident	81.2	Confident	28 Å²	28	26 Å²	26	11%	0.11	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.1	177	41.2	-81.1	0	0	0	110.1	S666 R714 E716	S666-Y678 WeakPolarHBondContact OG-CA 3.27Å; S666-Y678 WeakPolarHBondContact OG-CB 3.26Å; Y678-R714 HydrophobicContact CD2-CB 3.99Å; Y678-R714 HydrophobicContact CD2-CG 4.39Å; Y678-R714 HydrophobicContact CE1-CG 4.43Å; Y678-R714 HydrophobicContact CE2-CB 3.69Å; Y678-R714 HydrophobicContact CE2-CG 3.61Å; Y678-R714 PolarHBondContact N-O 2.84Å; Y678-R714 PolarHBondContact O-N 2.75Å; Y678-R714 WeakPolarHBondContact OH-CD 3.4Å; Y678-R714 PolarHBondContact OH-NE 2.68Å; Y678-R714 PolarHBondContact OH-NH2 2.91Å; Y678-E716 HydrophobicContact CE1-CG 4.14Å
679	H	88.5	Confident	81.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.2	169	-61	-56	0	0	0	109.5	E218 S665 S666 F681 R711 T713 D827	E218-H679 IonicContact OE1-CE1 3.9Å; E218-H679 PolarHBondContact OE1-CE1 3.09Å; E218-H679 IonicContact OE1-NE2 3.67Å; E218-H679 PolarHBondContact OE1-NE2 2.95Å; S665-H679 CarbonylContact C-O 3.6Å; S665-H679 VanDerWaalsContact CA-O 3.29Å; S665-H679 WeakPolarHBondContact CA-O 3.49Å; S666-H679 PolarHBondContact N-O 2.96Å; S666-H679 PolarHBondContact OG-N 2.95Å; H679-F681 HydrophobicContact CB-CD2 4.5Å; H679-F681 HydrophobicContact CB-CE2 3.72Å; H679-F681 HydrophobicContact CB-CZ 3.96Å; H679-R711 HydrophobicContact CB-CG 4.15Å; H679-T713 PolarHBondContact CE1-OG1 3.2Å; H679-T713 PolarHBondContact ND1-OG1 3.16Å; H679-T713 VanDerWaalsContact ND1-OG1 3.11Å; H679-D827 IonicContact CD2-OD1 2.71Å; H679-D827 PolarHBondContact CD2-OD1 2.92Å; H679-D827 IonicContact NE2-OD1 2.84Å
680	E	91.5	Very high	81.2	Confident	16 Å²	16	26 Å²	26	8%	0.075	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.8	172.5	-174	163.3	-157.3	0	0	108.3	H663 V664 R711 H712 R714 Y726	H663-E680 IonicContact ND1-OE1 2.79Å; H663-E680 PolarHBondContact ND1-OE1 3.26Å; V664-E680 CarbonylContact O-C 3.51Å; V664-E680 WeakPolarHBondContact O-CA 3.43Å; E680-R711 CarbonylContact O-C 3.52Å; E680-R711 VanDerWaalsContact O-CA 3.29Å; E680-R711 WeakPolarHBondContact O-CA 3.42Å; E680-H712 PolarHBondContact N-O 2.87Å; E680-H712 PolarHBondContact O-CD2 2.7Å; E680-H712 VanDerWaalsContact O-CD2 3.3Å; E680-H712 PolarHBondContact O-N 2.83Å; E680-H712 IonicContact OE2-CE1 3.65Å; E680-H712 IonicContact OE2-NE2 3.07Å; E680-R714 VanDerWaalsContact OE2-CD 3.31Å; E680-R714 WeakPolarHBondContact OE2-CD 3.33Å; E680-R714 IonicContact OE2-NH1 3.5Å; E680-Y726 WeakPolarHBondContact OE2-CE1 3.01Å
681	F	94.3	Very high	81.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.2	178.3	-55.3	-98.2	0	0	0	108.7	H663 V664 H679 C710 R711 L732 L821 D827 Y835 F837	H663-F681 WeakPolarHBondContact CA-O 3.27Å; V664-F681 HydrophobicContact CB-CB 4.18Å; V664-F681 HydrophobicContact CB-CD2 4.39Å; V664-F681 PolarHBondContact N-O 2.84Å; V664-F681 PolarHBondContact O-N 2.74Å; H679-F681 HydrophobicContact CB-CD2 4.5Å; H679-F681 HydrophobicContact CB-CE2 3.72Å; H679-F681 HydrophobicContact CB-CZ 3.96Å; F681-C710 WeakPolarHBondContact CA-O 3.4Å; F681-R711 HydrophobicContact CD1-CB 3.77Å; F681-R711 HydrophobicContact CD1-CG 3.69Å; F681-R711 HydrophobicContact CE1-CB 4Å; F681-R711 VanDerWaalsContact CE1-CD 3.44Å; F681-R711 HydrophobicContact CE1-CG 3.6Å; F681-R711 HydrophobicContact CG-CB 4.49Å; F681-R711 HydrophobicContact CG-CG 4.23Å; F681-R711 HydrophobicContact CZ-CG 4.03Å; F681-L732 HydrophobicContact CD1-CD1 3.58Å; F681-L732 HydrophobicContact CE1-CD1 3.83Å; F681-L821 HydrophobicContact CD2-CD2 4.34Å; F681-L821 HydrophobicContact CE2-CD1 4Å; F681-L821 HydrophobicContact CE2-CD2 3.97Å; F681-L821 HydrophobicContact CZ-CD2 4.27Å; F681-D827 WeakPolarHBondContact CZ-O 3.17Å; F681-Y835 HydrophobicContact CE1-CD1 4.22Å; F681-Y835 HydrophobicContact CE1-CE1 4.19Å; F681-F837 HydrophobicContact CB-CE1 4.28Å; F681-F837 HydrophobicContact CB-CZ 4.4Å; F681-F837 HydrophobicContact CD1-CE1 4.09Å; F681-F837 AromaticContact CD1-CZ 3.71Å; F681-F837 HydrophobicContact CD1-CZ 3.71Å; F681-F837 HydrophobicContact CD2-CE1 4.43Å; F681-F837 HydrophobicContact CE1-CZ 4.14Å; F681-F837 HydrophobicContact CG-CE1 4.03Å; F681-F837 HydrophobicContact CG-CZ 4.09Å
682	L	94.4	Very high	82.7	Confident	16 Å²	16	25.2 Å²	25.2	8%	0.084	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126	173.6	-56.2	-179	0	0	0	108	H663 V691 Q692 I709 C710	H663-L682 WeakPolarHBondContact CE1-CD2 3.34Å; H663-L682 WeakPolarHBondContact ND1-CD2 3.09Å; L682-V691 HydrophobicContact CB-CB 4.02Å; L682-V691 HydrophobicContact CB-CG1 4.49Å; L682-V691 HydrophobicContact CB-CG2 3.76Å; L682-Q692 WeakPolarHBondContact CD1-O 3.15Å; L682-I709 WeakPolarHBondContact O-CA 3.49Å; L682-I709 WeakPolarHBondContact O-CG2 3.19Å; L682-C710 PolarHBondContact N-O 2.69Å; L682-C710 PolarHBondContact O-N 2.83Å
683	I	94	Very high	84.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.2	-172.6	-63.4	167.9	0	0	0	109.3	V661 H662 V664 M685 I709 I791 I819 F837	V661-I683 CarbonylContact C-O 3.5Å; V661-I683 WeakPolarHBondContact CA-O 3.5Å; H662-I683 HydrophobicContact CB-CB 4.23Å; H662-I683 PolarHBondContact N-O 2.83Å; H662-I683 PolarHBondContact O-N 2.83Å; V664-I683 HydrophobicContact CG2-CD1 3.81Å; I683-M685 HydrophobicContact CG2-CG 4.4Å; I683-M685 HydrophobicContact CG2-SD 3.67Å; I683-I709 HydrophobicContact CG1-CG1 4.5Å; I683-I709 HydrophobicContact CG1-CG2 3.81Å; I683-I709 HydrophobicContact CG2-CD1 4.3Å; I683-I709 HydrophobicContact CG2-CG1 4.22Å; I683-I791 HydrophobicContact CD1-CD1 4.43Å; I683-I791 HydrophobicContact CG2-CD1 3.4Å; I683-I819 HydrophobicContact CD1-CD1 4.23Å; I683-I819 HydrophobicContact CD1-CG2 4.4Å; I683-F837 HydrophobicContact CD1-CD1 3.99Å; I683-F837 HydrophobicContact CD1-CD2 4.47Å; I683-F837 HydrophobicContact CD1-CE1 4.03Å; I683-F837 HydrophobicContact CD1-CG 4.21Å; I683-F837 HydrophobicContact CD1-CZ 4.32Å
684	S	91	Very high	85.2	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	166.1	173.5	0	0	0	0	110	K689 S708	S684-K689 WeakPolarHBondContact OG-CB 3.22Å; S684-K689 WeakPolarHBondContact OG-CG 3.28Å; S684-K689 PolarHBondContact OG-O 3.41Å; S684-S708 WeakPolarHBondContact CB-O 3.47Å; S684-S708 PolarHBondContact N-O 2.77Å
685	M	88	Confident	85.4	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.116	C	C	.	.			trans	-96.4	-14.2	179.9	-57.4	-57.5	-69.7	0	0	113	I658 I683 Y772 F774 I791 W839	I658-M685 HydrophobicContact CD1-CB 3.58Å; I658-M685 HydrophobicContact CG1-CB 4.3Å; I683-M685 HydrophobicContact CG2-CG 4.4Å; I683-M685 HydrophobicContact CG2-SD 3.67Å; M685-Y772 VanDerWaalsContact CE-CB 3.44Å; M685-Y772 HydrophobicContact CE-CD1 3.24Å; M685-Y772 HydrophobicContact CE-CD2 3.25Å; M685-Y772 HydrophobicContact CE-CE1 3.62Å; M685-Y772 HydrophobicContact CE-CE2 3.66Å; M685-Y772 HydrophobicContact CE-CG 3.01Å; M685-F774 HydrophobicContact CE-CE2 4.01Å; M685-F774 HydrophobicContact CE-CZ 4.32Å; M685-F774 HydrophobicContact SD-CE2 4.08Å; M685-F774 HydrophobicContact SD-CZ 4.19Å; M685-I791 HydrophobicContact CE-CB 4.14Å; M685-I791 HydrophobicContact CE-CD1 3.96Å; M685-I791 HydrophobicContact CE-CG2 4.11Å; M685-I791 HydrophobicContact SD-CD1 3.29Å; M685-I791 WeakPolarHBondContact SD-CD1 3.07Å; M685-I791 HydrophobicContact SD-CG1 4.46Å; M685-I791 HydrophobicContact SD-CG2 4.4Å; M685-W839 HydrophobicContact CG-CZ3 4.49Å
686	A	84.4	Confident	85.3	Confident	3 Å²	3	22.6 Å²	22.6	3%	0.025	12%	0.119	C	C	.	.	S	Bend	trans	-72.1	133.7	179.1	0	0	0	0	0	110.9	I658 G688 K689	I658-A686 PolarHBondContact O-N 2.81Å; A686-G688 PolarHBondContact O-N 3.05Å; A686-K689 HydrophobicContact CB-CB 3.84Å; A686-K689 HydrophobicContact CB-CD 4.02Å; A686-K689 PolarHBondContact O-N 2.93Å
687	Y	83.8	Confident	84.2	Confident	8 Å²	8	23.7 Å²	23.7	3%	0.031	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	125.8	-178.5	-177.7	-99.9	0	0	0	110.3	Y467 F468 E627 T630 C638 T640 K689 L736	Y467-Y687 WeakPolarHBondContact CD1-O 3.47Å; Y467-Y687 WeakPolarHBondContact CE1-O 3.46Å; F468-Y687 HydrophobicContact CB-CE1 3.92Å; F468-Y687 HydrophobicContact CD1-CE1 4.41Å; F468-Y687 VanDerWaalsContact CD1-OH 3.32Å; F468-Y687 WeakPolarHBondContact CD1-OH 3.47Å; E627-Y687 HydrophobicContact CG-CE2 4.45Å; E627-Y687 PolarHBondContact OE1-OH 2.82Å; E627-Y687 WeakPolarHBondContact OE2-CE2 3.34Å; E627-Y687 VanDerWaalsContact OE2-CZ 3.29Å; E627-Y687 PolarHBondContact OE2-OH 3.21Å; T630-Y687 HydrophobicContact CG2-CD2 3.5Å; T630-Y687 VanDerWaalsContact CG2-CD2 3.5Å; T630-Y687 HydrophobicContact CG2-CE2 3.94Å; T630-Y687 HydrophobicContact CG2-CG 3.83Å; C638-Y687 HydrophobicContact CB-CE1 3.97Å; C638-Y687 VanDerWaalsContact O-CD1 3.25Å; C638-Y687 WeakPolarHBondContact O-CD1 3.1Å; T640-Y687 VanDerWaalsContact OG1-CB 3.26Å; T640-Y687 WeakPolarHBondContact OG1-CB 3.05Å; T640-Y687 PolarHBondContact OG1-N 3.48Å; Y687-K689 PolarHBondContact O-N 2.85Å; Y687-L736 HydrophobicContact CD2-CB 4.12Å; Y687-L736 HydrophobicContact CD2-CD2 4.32Å
688	G	75.8	Confident	82.6	Confident	24 Å²	24	29.3 Å²	29.3	25%	0.247	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-22.4	-178.1	0	0	0	0	0	115.7	F466 A686 T690	F466-G688 CarbonylContact O-C 3.58Å; A686-G688 PolarHBondContact O-N 3.05Å; G688-T690 PolarHBondContact O-N 2.61Å
689	K	81.6	Confident	80.8	Confident	68 Å²	68	31.8 Å²	31.8	30%	0.296	18%	0.181	S	C	.	.			trans	-71.7	125.5	-177.7	-176.3	177.5	-175.9	172.1	0	111.9	D659 S684 A686 Y687	D659-K689 PolarHBondContact O-NZ 2.05Å; S684-K689 WeakPolarHBondContact OG-CB 3.22Å; S684-K689 WeakPolarHBondContact OG-CG 3.28Å; S684-K689 PolarHBondContact OG-O 3.41Å; A686-K689 HydrophobicContact CB-CB 3.84Å; A686-K689 HydrophobicContact CB-CD 4.02Å; A686-K689 PolarHBondContact O-N 2.93Å; Y687-K689 PolarHBondContact O-N 2.85Å
690	T	82.5	Confident	79.1	Confident	69 Å²	69	34.3 Å²	34.3	42%	0.423	19%	0.191	S	C	.	.			trans	-102.3	154.4	178.3	61.7	0	0	0	0	112.8	G688 A707	G688-T690 PolarHBondContact O-N 2.61Å; T690-A707 CarbonylContact C-O 3.6Å; T690-A707 WeakPolarHBondContact CA-O 3.46Å
691	V	89	Confident	77.2	Confident	11 Å²	11	41.2 Å²	41.2	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	154.3	170.6	-66.9	0	0	0	0	109.6	V661 L682 N706 A707 C710	V661-V691 HydrophobicContact CB-CG1 4.4Å; V661-V691 HydrophobicContact CG1-CG1 3.71Å; V661-V691 HydrophobicContact CG2-CG1 3.78Å; L682-V691 HydrophobicContact CB-CB 4.02Å; L682-V691 HydrophobicContact CB-CG1 4.49Å; L682-V691 HydrophobicContact CB-CG2 3.76Å; V691-N706 WeakPolarHBondContact O-CA 3.41Å; V691-A707 WeakPolarHBondContact CG2-O 3.4Å; V691-A707 PolarHBondContact N-O 2.91Å; V691-A707 PolarHBondContact O-N 2.77Å; V691-A707 VanDerWaalsContact O-N 3.11Å; V691-C710 HydrophobicContact CG2-CB 4.44Å
692	Q	86.4	Confident	75.5	Confident	106 Å²	106	47.4 Å²	47.4	50%	0.495	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120	-175.2	-173.8	177.8	37.6	0	0	111.3	L682 I694 V705 N706	L682-Q692 WeakPolarHBondContact CD1-O 3.15Å; Q692-I694 HydrophobicContact CG-CG2 3.97Å; Q692-V705 WeakPolarHBondContact CA-O 3.31Å; Q692-N706 WeakPolarHBondContact CG-OD1 3.35Å
693	C	87.9	Confident	74.1	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.4	169	-75.9	0	0	0	0	110.1	T704 V705 C710 R711 H712 P729	C693-T704 WeakPolarHBondContact O-CA 3.46Å; C693-V705 PolarHBondContact N-O 2.96Å; C693-V705 PolarHBondContact O-N 2.88Å; C693-C710 HydrophobicContact CB-CB 3.75Å; C693-C710 WeakPolarHBondContact CB-SG 3.33Å; C693-C710 PolarHBondContact N-SG 3.04Å; C693-C710 WeakPolarHBondContact SG-CB 3.21Å; C693-C710 CovalentContact SG-SG 2.03Å; C693-C710 PolarHBondContact SG-SG 3.2Å; C693-R711 PolarHBondContact SG-N 3.04Å; C693-H712 HydrophobicContact CB-CB 4.22Å; C693-P729 HydrophobicContact CB-CB 3.97Å
694	I	83.5	Confident	73.1	Confident	35 Å²	35	54.6 Å²	54.6	18%	0.179	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.8	-168.8	68.5	-178	0	0	0	112.7	Q692 N696 T704 Y726	Q692-I694 HydrophobicContact CG-CG2 3.97Å; I694-N696 WeakPolarHBondContact CD1-ND2 3.47Å; I694-T704 HydrophobicContact CB-CG2 4.48Å; I694-T704 HydrophobicContact CG2-CG2 3.94Å; I694-Y726 HydrophobicContact CD1-CD2 4.19Å; I694-Y726 HydrophobicContact CG1-CD2 4.27Å; I694-Y726 HydrophobicContact CG1-CG 4.34Å; I694-Y726 WeakPolarHBondContact O-CB 3.4Å
695	E	76.2	Confident	72.4	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.5	166.1	-172.6	138.7	-133.2	0	0	109.1	R703 Y726 S727 K728 P729	E695-R703 HydrophobicContact CB-CB 4.09Å; E695-R703 PolarHBondContact N-O 3.34Å; E695-Y726 CarbonylContact C-O 3.41Å; E695-Y726 WeakPolarHBondContact CA-O 3.48Å; E695-S727 VanDerWaalsContact OE1-CA 3.28Å; E695-S727 WeakPolarHBondContact OE1-CA 3.43Å; E695-S727 VanDerWaalsContact OE1-CB 3.31Å; E695-S727 WeakPolarHBondContact OE1-CB 3.23Å; E695-K728 PolarHBondContact OE1-N 2.75Å; E695-P729 HydrophobicContact CB-CG 4.24Å; E695-P729 WeakPolarHBondContact OE2-CD 3.23Å
696	N	70.9	Confident	72.1	Confident	61 Å²	61	57.4 Å²	57.4	33%	0.326	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-122.8	81.8	178.1	-73	10.7	0	0	0	107.8	I694 Q702 T725 Y726	I694-N696 WeakPolarHBondContact CD1-ND2 3.47Å; N696-Q702 PolarHBondContact OD1-NE2 3.44Å; N696-T725 WeakPolarHBondContact O-CG2 3.15Å; N696-Y726 CarbonylContact C-O 3.58Å; N696-Y726 HydrophobicContact CB-CD2 4.41Å; N696-Y726 PolarHBondContact N-O 3.24Å; N696-Y726 PolarHBondContact O-N 3.12Å
697	S	55.8	Low	72.1	Confident	26 Å²	26	57.3 Å²	57.3	18%	0.182	30%	0.304	C	S	.	.			trans	-107.2	143.4	161.6	149.1	0	0	0	0	108.4	I699 Y700	S697-I699 PolarHBondContact O-N 2.04Å; S697-Y700 PolarHBondContact O-N 2.84Å; S697-Y700 WeakPolarHBondContact OG-CD2 3.41Å; S697-Y700 WeakPolarHBondContact OG-CE2 3.47Å
698	S	49.8	Very low	72.3	Confident	127 Å²	127	57 Å²	57	89%	0.888	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	9.7	-172.4	64.7	0	0	0	0	115
699	I	48.3	Very low	73.1	Confident	80 Å²	80	55.8 Å²	55.8	41%	0.41	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-19.6	-169.9	-54.2	175.1	0	0	0	111.3	F202 S697	F202-I699 HydrophobicContact CE1-CD1 4.04Å; S697-I699 PolarHBondContact O-N 2.04Å
700	Y	51.9	Low	73.6	Confident	54 Å²	54	52.6 Å²	52.6	21%	0.212	28%	0.277	C	S	.	.	S	Bend	trans	-117	159.6	-163.7	-54.3	-75.3	0	0	0	114.5	E198 V200 S697	E198-Y700 WeakPolarHBondContact OE2-CE1 3.34Å; V200-Y700 HydrophobicContact CG1-CE1 4.22Å; S697-Y700 PolarHBondContact O-N 2.84Å; S697-Y700 WeakPolarHBondContact OG-CD2 3.41Å; S697-Y700 WeakPolarHBondContact OG-CE2 3.47Å
701	D	52.2	Low	74	Confident	160 Å²	160	50.1 Å²	50.1	86%	0.856	26%	0.26	S	S	*	.			trans	-62.1	140.1	158.6	-86.6	-29.2	0	0	0	110	R703	D701-R703 PolarHBondContact O-N 3.49Å
702	Q	59.1	Low	73.9	Confident	130 Å²	130	50 Å²	50	61%	0.607	26%	0.259	S	S	*	.			trans	-73.4	101.8	-172.7	-163.4	173.4	11.3	0	0	110.7	N696 T704	N696-Q702 PolarHBondContact OD1-NE2 3.44Å; Q702-T704 HydrophobicContact CG-CG2 4.28Å
703	R	65.2	Low	73.8	Confident	114 Å²	114	45 Å²	45	43%	0.43	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.2	173.4	-168.8	177.9	-178.6	174.2	2.7	110.2	E695 D701 P729	E695-R703 HydrophobicContact CB-CB 4.09Å; E695-R703 PolarHBondContact N-O 3.34Å; D701-R703 PolarHBondContact O-N 3.49Å; R703-P729 HydrophobicContact CG-CG 4.47Å
704	T	73.1	Confident	73.6	Confident	54 Å²	54	47.1 Å²	47.1	33%	0.331	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.1	179.7	63.5	0	0	0	0	111.5	C693 I694 Q702	C693-T704 WeakPolarHBondContact O-CA 3.46Å; I694-T704 HydrophobicContact CB-CG2 4.48Å; I694-T704 HydrophobicContact CG2-CG2 3.94Å; Q702-T704 HydrophobicContact CG-CG2 4.28Å
705	V	75.7	Confident	73.3	Confident	16 Å²	16	46.4 Å²	46.4	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.4	-180	172.6	0	0	0	0	109.3	Q692 C693 P729 R731	Q692-V705 WeakPolarHBondContact CA-O 3.31Å; C693-V705 PolarHBondContact N-O 2.96Å; C693-V705 PolarHBondContact O-N 2.88Å; V705-P729 HydrophobicContact CB-CB 4.11Å; V705-P729 HydrophobicContact CG2-CB 3.8Å; V705-P729 HydrophobicContact CG2-CG 3.99Å; V705-R731 HydrophobicContact CG1-CB 4.38Å; V705-R731 HydrophobicContact CG1-CG 3.14Å
706	N	80.7	Confident	73.2	Confident	43 Å²	43	49.6 Å²	49.6	23%	0.23	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.2	176.5	-65.1	-16.6	0	0	0	110.5	T499 N501 V691 Q692	T499-N706 HydrophobicContact CG2-CB 4.27Å; N501-N706 PolarHBondContact ND2-O 2.8Å; V691-N706 WeakPolarHBondContact O-CA 3.41Å; Q692-N706 WeakPolarHBondContact CG-OD1 3.35Å
707	A	84.7	Confident	72.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	162.6	177.8	0	0	0	0	0	110.3	T690 V691 I709 C710 R731 A733	T690-A707 CarbonylContact C-O 3.6Å; T690-A707 WeakPolarHBondContact CA-O 3.46Å; V691-A707 WeakPolarHBondContact CG2-O 3.4Å; V691-A707 PolarHBondContact N-O 2.91Å; V691-A707 PolarHBondContact O-N 2.77Å; V691-A707 VanDerWaalsContact O-N 3.11Å; A707-I709 PolarHBondContact O-N 2.97Å; A707-C710 HydrophobicContact CB-CB 4.37Å; A707-R731 HydrophobicContact CB-CB 4.31Å; A707-R731 HydrophobicContact CB-CG 4.15Å; A707-A733 WeakPolarHBondContact CB-O 3.31Å
708	S	88.1	Confident	73	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.007	29%	0.289	C	S	.	.	S	Bend	trans	-60	-36.1	173.1	-65.6	0	0	0	0	111.6	S684 A733 D734	S684-S708 WeakPolarHBondContact CB-O 3.47Å; S684-S708 PolarHBondContact N-O 2.77Å; S708-A733 WeakPolarHBondContact CA-O 3.14Å; S708-A733 WeakPolarHBondContact CB-O 2.95Å; S708-A733 PolarHBondContact N-O 2.8Å; S708-D734 PolarHBondContact OG-O 2.81Å
709	I	93.3	Very high	73.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.1	173.4	-53	172.8	0	0	0	108.8	L682 I683 A707 L732 A733 F774 T789 I791	L682-I709 WeakPolarHBondContact O-CA 3.49Å; L682-I709 WeakPolarHBondContact O-CG2 3.19Å; I683-I709 HydrophobicContact CG1-CG1 4.5Å; I683-I709 HydrophobicContact CG1-CG2 3.81Å; I683-I709 HydrophobicContact CG2-CD1 4.3Å; I683-I709 HydrophobicContact CG2-CG1 4.22Å; A707-I709 PolarHBondContact O-N 2.97Å; I709-L732 HydrophobicContact CB-CB 4.34Å; I709-L732 HydrophobicContact CG2-CB 4.02Å; I709-L732 HydrophobicContact CG2-CD1 4.24Å; I709-L732 PolarHBondContact O-N 2.75Å; I709-A733 HydrophobicContact CB-CB 3.93Å; I709-A733 HydrophobicContact CD1-CB 3.98Å; I709-A733 HydrophobicContact CG1-CB 4.08Å; I709-A733 PolarHBondContact N-O 3.24Å; I709-A733 PolarHBondContact O-N 2.81Å; I709-A733 VanDerWaalsContact O-N 3.12Å; I709-F774 HydrophobicContact CD1-CB 4.49Å; I709-F774 HydrophobicContact CD1-CD2 3.81Å; I709-F774 HydrophobicContact CD1-CE2 4.09Å; I709-F774 HydrophobicContact CD1-CG 4.06Å; I709-T789 HydrophobicContact CD1-CG2 3.49Å; I709-T789 VanDerWaalsContact CD1-CG2 3.49Å; I709-I791 HydrophobicContact CD1-CD1 3.62Å; I709-I791 HydrophobicContact CD1-CG1 4.47Å
710	C	91.1	Very high	73.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.3	178.2	74.1	0	0	0	0	111.7	F681 L682 V691 C693 A707 T730	F681-C710 WeakPolarHBondContact CA-O 3.4Å; L682-C710 PolarHBondContact N-O 2.69Å; L682-C710 PolarHBondContact O-N 2.83Å; V691-C710 HydrophobicContact CG2-CB 4.44Å; C693-C710 HydrophobicContact CB-CB 3.75Å; C693-C710 WeakPolarHBondContact CB-SG 3.33Å; C693-C710 PolarHBondContact N-SG 3.04Å; C693-C710 WeakPolarHBondContact SG-CB 3.21Å; C693-C710 CovalentContact SG-SG 2.03Å; C693-C710 PolarHBondContact SG-SG 3.2Å; A707-C710 HydrophobicContact CB-CB 4.37Å; C710-T730 CarbonylContact C-O 3.51Å; C710-T730 WeakPolarHBondContact CA-O 3.37Å
711	R	90.5	Very high	73.6	Confident	18 Å²	18	60.4 Å²	60.4	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.2	177.3	-177.1	-160.8	68.2	173.9	-4.3	110.9	H679 E680 F681 C693 P729 T730 L732	H679-R711 HydrophobicContact CB-CG 4.15Å; E680-R711 CarbonylContact O-C 3.52Å; E680-R711 VanDerWaalsContact O-CA 3.29Å; E680-R711 WeakPolarHBondContact O-CA 3.42Å; F681-R711 HydrophobicContact CD1-CB 3.77Å; F681-R711 HydrophobicContact CD1-CG 3.69Å; F681-R711 HydrophobicContact CE1-CB 4Å; F681-R711 VanDerWaalsContact CE1-CD 3.44Å; F681-R711 HydrophobicContact CE1-CG 3.6Å; F681-R711 HydrophobicContact CG-CB 4.49Å; F681-R711 HydrophobicContact CG-CG 4.23Å; F681-R711 HydrophobicContact CZ-CG 4.03Å; C693-R711 PolarHBondContact SG-N 3.04Å; R711-P729 CarbonylContact O-C 3.57Å; R711-P729 WeakPolarHBondContact O-CA 3.26Å; R711-T730 PolarHBondContact N-O 2.96Å; R711-T730 PolarHBondContact NH2-OG1 3.18Å; R711-T730 VanDerWaalsContact NH2-OG1 3.09Å; R711-T730 PolarHBondContact O-N 2.04Å; R711-L732 HydrophobicContact CB-CD1 3.92Å; R711-L732 HydrophobicContact CB-CG 4.25Å
712	H	87.6	Confident	73.7	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.1	168	61.1	138.1	0	0	0	110.2	E680 C693 Y726	E680-H712 PolarHBondContact N-O 2.87Å; E680-H712 PolarHBondContact O-CD2 2.7Å; E680-H712 VanDerWaalsContact O-CD2 3.3Å; E680-H712 PolarHBondContact O-N 2.83Å; E680-H712 IonicContact OE2-CE1 3.65Å; E680-H712 IonicContact OE2-NE2 3.07Å; C693-H712 HydrophobicContact CB-CB 4.22Å; H712-Y726 AromaticContact CE1-CD1 3.08Å; H712-Y726 WeakPolarHBondContact CE1-CD1 3.47Å; H712-Y726 AromaticContact CE1-CE1 3.14Å; H712-Y726 WeakPolarHBondContact CE1-CE1 3.33Å; H712-Y726 AromaticContact CE1-CG 3.88Å; H712-Y726 AromaticContact ND1-CD1 2.99Å; H712-Y726 WeakPolarHBondContact ND1-CD1 3.06Å; H712-Y726 AromaticContact ND1-CE1 3.61Å; H712-Y726 AromaticContact ND1-CG 3.58Å
713	T	83.5	Confident	73.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.6	179.1	-56.9	0	0	0	0	109.8	Y677 H679 F715 Y726 S727	Y677-T713 HydrophobicContact CD2-CG2 3.84Å; H679-T713 PolarHBondContact CE1-OG1 3.2Å; H679-T713 PolarHBondContact ND1-OG1 3.16Å; H679-T713 VanDerWaalsContact ND1-OG1 3.11Å; T713-F715 HydrophobicContact CG2-CD2 4.41Å; T713-F715 HydrophobicContact CG2-CE2 3.61Å; T713-F715 HydrophobicContact CG2-CZ 3.76Å; T713-Y726 CarbonylContact O-C 3.54Å; T713-Y726 WeakPolarHBondContact O-CA 3.49Å; T713-S727 PolarHBondContact N-O 3.42Å; T713-S727 PolarHBondContact O-N 2.9Å
714	R	84	Confident	73.7	Confident	44 Å²	44	60.7 Å²	60.7	17%	0.166	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.1	179.4	178.2	166.8	157.1	-150.1	-12.7	110.6	Y677 Y678 E680 Y726	Y677-R714 VanDerWaalsContact CA-O 3.31Å; Y677-R714 WeakPolarHBondContact CA-O 3.33Å; Y678-R714 HydrophobicContact CD2-CB 3.99Å; Y678-R714 HydrophobicContact CD2-CG 4.39Å; Y678-R714 HydrophobicContact CE1-CG 4.43Å; Y678-R714 HydrophobicContact CE2-CB 3.69Å; Y678-R714 HydrophobicContact CE2-CG 3.61Å; Y678-R714 PolarHBondContact N-O 2.84Å; Y678-R714 PolarHBondContact O-N 2.75Å; Y678-R714 WeakPolarHBondContact OH-CD 3.4Å; Y678-R714 PolarHBondContact OH-NE 2.68Å; Y678-R714 PolarHBondContact OH-NH2 2.91Å; E680-R714 VanDerWaalsContact OE2-CD 3.31Å; E680-R714 WeakPolarHBondContact OE2-CD 3.33Å; E680-R714 IonicContact OE2-NH1 3.5Å; R714-Y726 HydrophobicContact CB-CD1 3.93Å; R714-Y726 HydrophobicContact CB-CE1 3.89Å; R714-Y726 HydrophobicContact CG-CD1 4.15Å; R714-Y726 HydrophobicContact CG-CE1 3.79Å
715	F	78	Confident	73.7	Confident	21 Å²	21	60.7 Å²	60.7	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.8	177.5	-67.2	-93.7	0	0	0	111.2	L188 T671 Y677 T713 T725 S727	L188-F715 HydrophobicContact CB-CZ 4.27Å; L188-F715 HydrophobicContact CD1-CE1 4.36Å; L188-F715 HydrophobicContact CD1-CZ 3.93Å; L188-F715 HydrophobicContact CD2-CE1 4.27Å; L188-F715 HydrophobicContact CD2-CE2 3.47Å; L188-F715 VanDerWaalsContact CD2-CE2 3.47Å; L188-F715 HydrophobicContact CD2-CZ 3.28Å; L188-F715 HydrophobicContact CG-CZ 4.01Å; T671-F715 HydrophobicContact CG2-CE1 4.39Å; Y677-F715 HydrophobicContact CG-CE1 4.09Å; T713-F715 HydrophobicContact CG2-CD2 4.41Å; T713-F715 HydrophobicContact CG2-CE2 3.61Å; T713-F715 HydrophobicContact CG2-CZ 3.76Å; F715-T725 PolarHBondContact N-O 2.92Å; F715-S727 WeakPolarHBondContact CE2-OG 3.31Å
716	E	74.7	Confident	73.9	Confident	83 Å²	83	61.7 Å²	61.7	39%	0.388	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-73.3	127.7	169.8	-75	-172	173.2	0	0	110.9	K668 G676 Y678 S718	K668-E716 VanDerWaalsContact CE-CD 3.5Å; K668-E716 VanDerWaalsContact CE-OE1 3.27Å; K668-E716 WeakPolarHBondContact CE-OE1 3.39Å; K668-E716 WeakPolarHBondContact CE-OE2 3.38Å; K668-E716 IonicContact NZ-OE1 3.89Å; K668-E716 PolarHBondContact NZ-OE1 2.8Å; K668-E716 IonicContact NZ-OE2 2.68Å; K668-E716 PolarHBondContact NZ-OE2 2.91Å; G676-E716 PolarHBondContact O-N 3.35Å; Y678-E716 HydrophobicContact CE1-CG 4.14Å; E716-S718 PolarHBondContact O-N 3.15Å
717	A	64.2	Low	73.7	Confident	42 Å²	42	59.9 Å²	59.9	35%	0.347	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71.2	127.8	168.9	0	0	0	0	0	109.8	N719 R722	A717-N719 WeakPolarHBondContact CB-O 3.32Å; A717-N719 PolarHBondContact O-N 3.48Å; A717-N719 VanDerWaalsContact O-N 3.14Å; A717-R722 HydrophobicContact CB-CB 3.94Å
718	S	57.7	Low	73.1	Confident	126 Å²	126	60.1 Å²	60.1	88%	0.881	31%	0.313	S	S	*	.	S	Bend	trans	-60.6	-20.4	171.5	172.7	0	0	0	0	112.8	E716	E716-S718 PolarHBondContact O-N 3.15Å
719	N	55	Low	72.9	Confident	79 Å²	79	60.2 Å²	60.2	42%	0.422	31%	0.313	S	S	.	.	S	Bend	trans	-121.6	125.3	176.3	-172.4	-18.9	0	0	0	109.6	A717 K721 R722	A717-N719 WeakPolarHBondContact CB-O 3.32Å; A717-N719 PolarHBondContact O-N 3.48Å; A717-N719 VanDerWaalsContact O-N 3.14Å; N719-K721 PolarHBondContact O-N 3.31Å; N719-K721 PolarHBondContact OD1-N 3.01Å; N719-K721 VanDerWaalsContact OD1-N 3.1Å; N719-R722 PolarHBondContact O-N 3.43Å
720	P	54.3	Low	72.2	Confident	132 Å²	132	60.3 Å²	60.3	86%	0.857	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.9	178.2	21.3	-32	0	0	0	114.3
721	K	53.5	Low	71.7	Confident	195 Å²	195	61.8 Å²	61.8	85%	0.848	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.6	174.7	-65.5	-171.8	178.7	-177	0	115	N719	N719-K721 PolarHBondContact O-N 3.31Å; N719-K721 PolarHBondContact OD1-N 3.01Å; N719-K721 VanDerWaalsContact OD1-N 3.1Å
722	R	54.2	Low	71.6	Confident	180 Å²	180	60.9 Å²	60.9	68%	0.679	32%	0.316	S	S	*	.	S	Bend	trans	-88.5	141.5	177.2	-80.7	-171.1	176	-175.2	-0.6	111	A717 N719	A717-R722 HydrophobicContact CB-CB 3.94Å; N719-R722 PolarHBondContact O-N 3.43Å
723	T	58.4	Low	71.6	Confident	127 Å²	127	60.5 Å²	60.5	78%	0.779	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-58.9	140.2	170.9	46.3	0	0	0	0	110.1	T725	T723-T725 PolarHBondContact O-N 3.43Å
724	K	65.9	Low	71.5	Confident	104 Å²	104	62.4 Å²	62.4	45%	0.452	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-56.5	132	173.6	-63.7	163.7	178.8	-176.6	0	108.9	Y726	K724-Y726 HydrophobicContact CB-CE2 3.88Å
725	T	73	Confident	71.4	Confident	54 Å²	54	64.6 Å²	64.6	33%	0.331	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.9	176.4	-55.6	0	0	0	0	109.1	N696 F715 T723	N696-T725 WeakPolarHBondContact O-CG2 3.15Å; F715-T725 PolarHBondContact N-O 2.92Å; T723-T725 PolarHBondContact O-N 3.43Å
726	Y	79.3	Confident	71.8	Confident	37 Å²	37	63.7 Å²	63.7	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.1	178.7	-62.7	-76.1	0	0	0	109.7	E680 I694 E695 N696 H712 T713 R714 K724	E680-Y726 WeakPolarHBondContact OE2-CE1 3.01Å; I694-Y726 HydrophobicContact CD1-CD2 4.19Å; I694-Y726 HydrophobicContact CG1-CD2 4.27Å; I694-Y726 HydrophobicContact CG1-CG 4.34Å; I694-Y726 WeakPolarHBondContact O-CB 3.4Å; E695-Y726 CarbonylContact C-O 3.41Å; E695-Y726 WeakPolarHBondContact CA-O 3.48Å; N696-Y726 CarbonylContact C-O 3.58Å; N696-Y726 HydrophobicContact CB-CD2 4.41Å; N696-Y726 PolarHBondContact N-O 3.24Å; N696-Y726 PolarHBondContact O-N 3.12Å; H712-Y726 AromaticContact CE1-CD1 3.08Å; H712-Y726 WeakPolarHBondContact CE1-CD1 3.47Å; H712-Y726 AromaticContact CE1-CE1 3.14Å; H712-Y726 WeakPolarHBondContact CE1-CE1 3.33Å; H712-Y726 AromaticContact CE1-CG 3.88Å; H712-Y726 AromaticContact ND1-CD1 2.99Å; H712-Y726 WeakPolarHBondContact ND1-CD1 3.06Å; H712-Y726 AromaticContact ND1-CE1 3.61Å; H712-Y726 AromaticContact ND1-CG 3.58Å; T713-Y726 CarbonylContact O-C 3.54Å; T713-Y726 WeakPolarHBondContact O-CA 3.49Å; R714-Y726 HydrophobicContact CB-CD1 3.93Å; R714-Y726 HydrophobicContact CB-CE1 3.89Å; R714-Y726 HydrophobicContact CG-CD1 4.15Å; R714-Y726 HydrophobicContact CG-CE1 3.79Å; K724-Y726 HydrophobicContact CB-CE2 3.88Å
727	S	76.2	Confident	72.4	Confident	5 Å²	5	62.9 Å²	62.9	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	168	178.5	72.3	0	0	0	0	112.3	L188 E695 T713 F715	L188-S727 VanDerWaalsContact CD2-OG 3.26Å; L188-S727 WeakPolarHBondContact CD2-OG 3.45Å; E695-S727 VanDerWaalsContact OE1-CA 3.28Å; E695-S727 WeakPolarHBondContact OE1-CA 3.43Å; E695-S727 VanDerWaalsContact OE1-CB 3.31Å; E695-S727 WeakPolarHBondContact OE1-CB 3.23Å; T713-S727 PolarHBondContact N-O 3.42Å; T713-S727 PolarHBondContact O-N 2.9Å; F715-S727 WeakPolarHBondContact CE2-OG 3.31Å
728	K	73.4	Confident	73.6	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.6	55.6	172.3	-58.9	-170.2	174.4	-171.4	0	114.9	G168 L191 E695 T730	G168-K728 PolarHBondContact O-NZ 2.71Å; L191-K728 HydrophobicContact CD1-CB 4.28Å; L191-K728 HydrophobicContact CD1-CD 3.93Å; L191-K728 HydrophobicContact CD1-CG 3.9Å; L191-K728 HydrophobicContact CG-CD 4.15Å; L191-K728 HydrophobicContact CG-CG 4.07Å; E695-K728 PolarHBondContact OE1-N 2.75Å; K728-T730 PolarHBondContact O-N 3.49Å; K728-T730 PolarHBondContact O-OG1 3.15Å
729	P	82.5	Confident	75.1	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.9	174.9	29	-34.9	0	0	0	110.6	C693 E695 R703 V705 R711	C693-P729 HydrophobicContact CB-CB 3.97Å; E695-P729 HydrophobicContact CB-CG 4.24Å; E695-P729 WeakPolarHBondContact OE2-CD 3.23Å; R703-P729 HydrophobicContact CG-CG 4.47Å; V705-P729 HydrophobicContact CB-CB 4.11Å; V705-P729 HydrophobicContact CG2-CB 3.8Å; V705-P729 HydrophobicContact CG2-CG 3.99Å; R711-P729 CarbonylContact O-C 3.57Å; R711-P729 WeakPolarHBondContact O-CA 3.26Å
730	T	79.6	Confident	76.7	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.2	-175.3	-45.7	0	0	0	0	110.5	Y166 C710 R711 K728 L732	Y166-T730 HydrophobicContact CE1-CG2 4.37Å; Y166-T730 WeakPolarHBondContact CE1-OG1 3.21Å; C710-T730 CarbonylContact C-O 3.51Å; C710-T730 WeakPolarHBondContact CA-O 3.37Å; R711-T730 PolarHBondContact N-O 2.96Å; R711-T730 PolarHBondContact NH2-OG1 3.18Å; R711-T730 VanDerWaalsContact NH2-OG1 3.09Å; R711-T730 PolarHBondContact O-N 2.04Å; K728-T730 PolarHBondContact O-N 3.49Å; K728-T730 PolarHBondContact O-OG1 3.15Å; T730-L732 HydrophobicContact CG2-CD2 4.17Å
731	R	79.5	Confident	78.2	Confident	30 Å²	30	50.6 Å²	50.6	11%	0.113	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.8	170.9	-62	-177.3	-73.7	175.6	-2.8	110.3	N501 E502 V705 A707 D778 R787	N501-R731 PolarHBondContact ND2-NH1 3.24Å; N501-R731 WeakPolarHBondContact OD1-CD 3.07Å; N501-R731 PolarHBondContact OD1-NH1 2.78Å; N501-R731 VanDerWaalsContact OD1-NH1 3.15Å; E502-R731 PolarHBondContact O-NH2 2.78Å; V705-R731 HydrophobicContact CG1-CB 4.38Å; V705-R731 HydrophobicContact CG1-CG 3.14Å; A707-R731 HydrophobicContact CB-CB 4.31Å; A707-R731 HydrophobicContact CB-CG 4.15Å; R731-D778 IonicContact CZ-OD1 3.49Å; R731-D778 IonicContact NE-OD1 4Å; R731-D778 VanDerWaalsContact NH2-CG 3.35Å; R731-D778 IonicContact NH2-OD1 3.73Å; R731-D778 PolarHBondContact NH2-OD1 2.92Å; R731-R787 PolarHBondContact O-NH1 2.77Å
732	L	88.4	Confident	79.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-29.3	176.5	-58.6	-171.6	0	0	0	112.6	F681 I709 R711 T730 T789 Y835	F681-L732 HydrophobicContact CD1-CD1 3.58Å; F681-L732 HydrophobicContact CE1-CD1 3.83Å; I709-L732 HydrophobicContact CB-CB 4.34Å; I709-L732 HydrophobicContact CG2-CB 4.02Å; I709-L732 HydrophobicContact CG2-CD1 4.24Å; I709-L732 PolarHBondContact O-N 2.75Å; R711-L732 HydrophobicContact CB-CD1 3.92Å; R711-L732 HydrophobicContact CB-CG 4.25Å; T730-L732 HydrophobicContact CG2-CD2 4.17Å; L732-T789 PolarHBondContact O-OG1 2.83Å; L732-Y835 HydrophobicContact CD1-CD1 3.83Å; L732-Y835 HydrophobicContact CD1-CE1 3.97Å; L732-Y835 HydrophobicContact CD1-CG 4.17Å; L732-Y835 HydrophobicContact CD2-CD1 4.26Å; L732-Y835 HydrophobicContact CD2-CD2 4.02Å; L732-Y835 HydrophobicContact CD2-CE1 3.81Å; L732-Y835 HydrophobicContact CD2-CE2 3.6Å; L732-Y835 HydrophobicContact CD2-CG 4.35Å; L732-Y835 VanDerWaalsContact CD2-CZ 3.45Å
733	A	88.7	Confident	81.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	130.2	178.1	0	0	0	0	0	112	A707 S708 I709 F774	A707-A733 WeakPolarHBondContact CB-O 3.31Å; S708-A733 WeakPolarHBondContact CA-O 3.14Å; S708-A733 WeakPolarHBondContact CB-O 2.95Å; S708-A733 PolarHBondContact N-O 2.8Å; I709-A733 HydrophobicContact CB-CB 3.93Å; I709-A733 HydrophobicContact CD1-CB 3.98Å; I709-A733 HydrophobicContact CG1-CB 4.08Å; I709-A733 PolarHBondContact N-O 3.24Å; I709-A733 PolarHBondContact O-N 2.81Å; I709-A733 VanDerWaalsContact O-N 3.12Å; A733-F774 HydrophobicContact CB-CB 3.26Å; A733-F774 HydrophobicContact CB-CD1 4.32Å; A733-F774 HydrophobicContact CB-CG 4.02Å
734	D	81.4	Confident	82.4	Confident	40 Å²	40	32 Å²	32	21%	0.214	16%	0.155	C	C	.	.	S	Bend	trans	-98.8	-39.8	-179.4	-60.1	-52.1	0	0	0	111.4	S708 A775 S776 D777	S708-D734 PolarHBondContact OG-O 2.81Å; D734-A775 PolarHBondContact N-O 2.84Å; D734-S776 WeakPolarHBondContact OD2-CA 3.42Å; D734-S776 VanDerWaalsContact OD2-CB 3.25Å; D734-S776 WeakPolarHBondContact OD2-CB 3.45Å; D734-S776 PolarHBondContact OD2-OG 2.84Å; D734-D777 PolarHBondContact OD2-N 2.81Å
735	R	80.9	Confident	83.3	Confident	90 Å²	90	30.7 Å²	30.7	34%	0.34	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.7	-177.8	64.1	174	178.7	-105.9	-16.5	113.6	I737 F774 A775 D777	R735-I737 HydrophobicContact CG-CD1 4.09Å; R735-F774 VanDerWaalsContact O-CA 3.24Å; R735-F774 WeakPolarHBondContact O-CA 3.36Å; R735-F774 WeakPolarHBondContact O-CB 3.45Å; R735-A775 PolarHBondContact N-O 2.87Å; R735-A775 VanDerWaalsContact N-O 3.14Å; R735-A775 PolarHBondContact O-N 2.8Å; R735-D777 IonicContact CZ-OD1 3.63Å; R735-D777 IonicContact CZ-OD2 3.06Å; R735-D777 IonicContact NH1-OD1 3.26Å; R735-D777 IonicContact NH1-OD2 3.13Å; R735-D777 PolarHBondContact NH1-OD2 2.91Å; R735-D777 IonicContact NH2-OD1 3.69Å; R735-D777 PolarHBondContact NH2-OD1 2.03Å; R735-D777 IonicContact NH2-OD2 2.72Å; R735-D777 PolarHBondContact NH2-OD2 3.27Å
736	L	86.7	Confident	83.9	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126	168.6	-179.7	68.3	0	0	0	109.2	T630 Y687 Y772 F774	T630-L736 HydrophobicContact CG2-CD2 4.2Å; Y687-L736 HydrophobicContact CD2-CB 4.12Å; Y687-L736 HydrophobicContact CD2-CD2 4.32Å; L736-Y772 HydrophobicContact CD1-CD1 4.21Å; L736-F774 HydrophobicContact CB-CD1 3.96Å; L736-F774 HydrophobicContact CB-CE1 3.75Å; L736-F774 HydrophobicContact CB-CZ 4.39Å; L736-F774 HydrophobicContact CD1-CD1 4.21Å; L736-F774 HydrophobicContact CD1-CD2 4.17Å; L736-F774 HydrophobicContact CD1-CE1 3.91Å; L736-F774 HydrophobicContact CD1-CE2 3.88Å; L736-F774 HydrophobicContact CD1-CG 4.32Å; L736-F774 HydrophobicContact CD1-CZ 3.73Å; L736-F774 HydrophobicContact CG-CE1 4.42Å
737	I	88.5	Confident	84.4	Confident	66 Å²	66	37.4 Å²	37.4	34%	0.338	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-44.3	175.5	-59.5	-60.9	0	0	0	110.4	R735 V773 A775	R735-I737 HydrophobicContact CG-CD1 4.09Å; I737-V773 WeakPolarHBondContact CA-O 3.36Å; I737-V773 WeakPolarHBondContact CB-O 3.5Å; I737-V773 PolarHBondContact N-O 3.49Å; I737-A775 HydrophobicContact CD1-CB 3.92Å; I737-A775 HydrophobicContact CG1-CB 3.72Å
738	R	89.2	Confident	85	Confident	73 Å²	73	38 Å²	38	28%	0.275	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	149.2	-179.6	55.9	-177.6	176.8	132	-2.3	112.2	P628 V740 V773	P628-R738 HydrophobicContact CB-CB 4Å; P628-R738 HydrophobicContact CG-CB 4.38Å; P628-R738 CarbonylContact O-C 3.42Å; P628-R738 VanDerWaalsContact O-CA 3.25Å; P628-R738 WeakPolarHBondContact O-CA 2.99Å; R738-V740 HydrophobicContact CB-CG1 4.31Å; R738-V773 HydrophobicContact CG-CB 3.86Å; R738-V773 HydrophobicContact CG-CG2 4.08Å; R738-V773 PolarHBondContact N-O 3.44Å; R738-V773 PolarHBondContact O-N 2.88Å
739	M	88.4	Confident	85.7	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.4	162.5	175.7	-169.1	71.4	0	0	108.1	P628 D641 P644 L654 H771 Y772	P628-M739 PolarHBondContact O-N 2.91Å; D641-M739 HydrophobicContact CB-CE 4.18Å; P644-M739 HydrophobicContact CB-CE 3.71Å; P644-M739 HydrophobicContact CG-CE 3.7Å; L654-M739 HydrophobicContact CD1-SD 4.3Å; M739-H771 WeakPolarHBondContact CA-O 3.15Å; M739-Y772 HydrophobicContact CB-CD1 3.84Å; M739-Y772 HydrophobicContact CB-CE1 4.04Å; M739-Y772 HydrophobicContact CB-CG 4.43Å; M739-Y772 HydrophobicContact CG-CD1 3.71Å; M739-Y772 HydrophobicContact CG-CD2 4.41Å; M739-Y772 HydrophobicContact CG-CE1 3.53Å; M739-Y772 HydrophobicContact CG-CE2 4.22Å; M739-Y772 HydrophobicContact CG-CG 4.16Å; M739-Y772 HydrophobicContact SD-CD1 3.98Å; M739-Y772 HydrophobicContact SD-CE1 3.17Å; M739-Y772 WeakPolarHBondContact SD-CE1 3.49Å; M739-Y772 HydrophobicContact SD-CE2 4.25Å; M739-Y772 PolarHBondContact SD-OH 2.86Å
740	V	88.1	Confident	86	Confident	17 Å²	17	46.3 Å²	46.3	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.1	-174.9	-67.3	0	0	0	0	112.3	P628 R738 V744 F748 H771	P628-V740 HydrophobicContact CB-CG1 4.45Å; R738-V740 HydrophobicContact CB-CG1 4.31Å; V740-V744 HydrophobicContact CB-CG1 4.33Å; V740-V744 HydrophobicContact CG2-CG1 4.37Å; V740-F748 HydrophobicContact CG2-CE1 3.77Å; V740-F748 HydrophobicContact CG2-CZ 3.94Å; V740-H771 PolarHBondContact N-O 2.9Å; V740-H771 PolarHBondContact O-N 3.44Å
741	P	87.1	Confident	86.4	Confident	20 Å²	20	51.5 Å²	51.5	13%	0.13	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	154.5	170.5	31.5	-35.7	0	0	0	111.3	T646 N743 V744 D769 L770	T646-P741 HydrophobicContact CG2-CB 3.83Å; T646-P741 HydrophobicContact CG2-CG 3.89Å; P741-N743 PolarHBondContact O-N 2.71Å; P741-V744 HydrophobicContact CG-CB 4.44Å; P741-V744 WeakPolarHBondContact O-CG1 3.3Å; P741-V744 PolarHBondContact O-N 3.07Å; P741-D769 CarbonylContact C-O 3.59Å; P741-D769 VanDerWaalsContact CA-O 3.3Å; P741-D769 WeakPolarHBondContact CA-O 3.04Å; P741-L770 HydrophobicContact CB-CD2 4.13Å
742	S	87.2	Confident	86.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-51.2	-42.2	174.3	-64.3	0	0	0	0	112.4	V744 W749 D764 D769 H771	S742-V744 VanDerWaalsContact C-N 3.25Å; S742-V744 PolarHBondContact O-N 2.78Å; S742-W749 WeakPolarHBondContact O-CB 3.31Å; S742-D764 WeakPolarHBondContact CB-OD2 3.45Å; S742-D764 PolarHBondContact OG-OD2 2.95Å; S742-D769 PolarHBondContact N-O 3.47Å; S742-D769 PolarHBondContact OG-O 2.98Å; S742-H771 PolarHBondContact OG-NE2 2.92Å
743	N	82.6	Confident	87	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-81.6	13.9	-174.1	71	1.2	0	0	0	115.5	P741 T745 G767	P741-N743 PolarHBondContact O-N 2.71Å; N743-T745 VanDerWaalsContact C-N 3.32Å; N743-T745 PolarHBondContact O-N 3.42Å; N743-G767 WeakPolarHBondContact CB-O 3.4Å; N743-G767 PolarHBondContact N-O 3.34Å
744	V	83.5	Confident	86.9	Confident	67 Å²	67	59 Å²	59	41%	0.406	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59.3	-42	178.6	66.1	0	0	0	0	112.3	V740 P741 S742 F748	V740-V744 HydrophobicContact CB-CG1 4.33Å; V740-V744 HydrophobicContact CG2-CG1 4.37Å; P741-V744 HydrophobicContact CG-CB 4.44Å; P741-V744 WeakPolarHBondContact O-CG1 3.3Å; P741-V744 PolarHBondContact O-N 3.07Å; S742-V744 VanDerWaalsContact C-N 3.25Å; S742-V744 PolarHBondContact O-N 2.78Å; V744-F748 HydrophobicContact CG1-CB 4.32Å; V744-F748 HydrophobicContact CG1-CD1 3.56Å; V744-F748 HydrophobicContact CG1-CE1 4.21Å; V744-F748 HydrophobicContact CG1-CG 4.18Å
745	T	85.5	Confident	87.2	Confident	75 Å²	75	59.7 Å²	59.7	46%	0.46	29%	0.292	S	S	.	.			trans	-143.3	152	171.6	65	0	0	0	0	109.7	N743 D747 F748 W749	N743-T745 VanDerWaalsContact C-N 3.32Å; N743-T745 PolarHBondContact O-N 3.42Å; T745-D747 VanDerWaalsContact C-N 3.34Å; T745-D747 PolarHBondContact O-N 2.83Å; T745-F748 PolarHBondContact O-N 2.98Å; T745-F748 WeakPolarHBondContact OG1-CB 3.4Å; T745-F748 PolarHBondContact OG1-N 3.47Å; T745-W749 PolarHBondContact O-N 3.26Å; T745-W749 VanDerWaalsContact O-N 3.07Å
746	L	86.1	Confident	87.5	Confident	110 Å²	110	55.6 Å²	55.6	58%	0.576	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-40.9	-179.7	-175.5	63.4	0	0	0	112	W749 Q750	L746-W749 HydrophobicContact CD1-CE3 4.17Å; L746-W749 PolarHBondContact O-N 3.07Å; L746-Q750 WeakPolarHBondContact O-CG 3.2Å; L746-Q750 PolarHBondContact O-N 2.87Å
747	D	88.4	Confident	87.6	Confident	123 Å²	123	58.9 Å²	58.9	66%	0.658	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-43.9	-179.7	-63.1	-21.7	0	0	0	111.7	T745 W749 Q750 E751	T745-D747 VanDerWaalsContact C-N 3.34Å; T745-D747 PolarHBondContact O-N 2.83Å; D747-W749 VanDerWaalsContact C-N 3.33Å; D747-W749 PolarHBondContact O-N 3.41Å; D747-Q750 PolarHBondContact O-N 2.98Å; D747-E751 PolarHBondContact O-N 3.05Å
748	F	88.7	Confident	87.3	Confident	18 Å²	18	61.3 Å²	61.3	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-41.5	176.5	178.5	-110.7	0	0	0	111.2	V740 V744 T745 Q750 E751 V752 H771	V740-F748 HydrophobicContact CG2-CE1 3.77Å; V740-F748 HydrophobicContact CG2-CZ 3.94Å; V744-F748 HydrophobicContact CG1-CB 4.32Å; V744-F748 HydrophobicContact CG1-CD1 3.56Å; V744-F748 HydrophobicContact CG1-CE1 4.21Å; V744-F748 HydrophobicContact CG1-CG 4.18Å; T745-F748 PolarHBondContact O-N 2.98Å; T745-F748 WeakPolarHBondContact OG1-CB 3.4Å; T745-F748 PolarHBondContact OG1-N 3.47Å; F748-Q750 VanDerWaalsContact C-N 3.34Å; F748-Q750 PolarHBondContact O-N 3.16Å; F748-E751 PolarHBondContact O-N 2.97Å; F748-V752 HydrophobicContact CD1-CG2 4.16Å; F748-V752 HydrophobicContact CD2-CG2 4.19Å; F748-V752 HydrophobicContact CE1-CG2 3.76Å; F748-V752 HydrophobicContact CE2-CG2 3.74Å; F748-V752 HydrophobicContact CG-CG2 4.39Å; F748-V752 HydrophobicContact CZ-CG2 3.54Å; F748-V752 WeakPolarHBondContact O-CB 3.35Å; F748-V752 VanDerWaalsContact O-CG2 3.29Å; F748-V752 WeakPolarHBondContact O-CG2 3.42Å; F748-V752 PolarHBondContact O-N 2.93Å; F748-H771 HydrophobicContact CZ-CB 4.18Å
749	W	87.8	Confident	87.1	Confident	65 Å²	65	57.9 Å²	57.9	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-41.4	178.1	-170.1	17.5	0	0	0	112.5	S742 T745 L746 D747 V752 N753 D764 K765	S742-W749 WeakPolarHBondContact O-CB 3.31Å; T745-W749 PolarHBondContact O-N 3.26Å; T745-W749 VanDerWaalsContact O-N 3.07Å; L746-W749 HydrophobicContact CD1-CE3 4.17Å; L746-W749 PolarHBondContact O-N 3.07Å; D747-W749 VanDerWaalsContact C-N 3.33Å; D747-W749 PolarHBondContact O-N 3.41Å; W749-V752 PolarHBondContact O-N 3.46Å; W749-N753 PolarHBondContact NE1-ND2 2.92Å; W749-N753 WeakPolarHBondContact O-CB 3.18Å; W749-N753 PolarHBondContact O-N 2.88Å; W749-D764 WeakPolarHBondContact CZ2-O 3.4Å; W749-D764 PolarHBondContact NE1-O 2.87Å; W749-K765 WeakPolarHBondContact CZ2-O 3.39Å
750	Q	90.1	Very high	86.9	Confident	118 Å²	118	59.4 Å²	59.4	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-64.9	-42.8	175.6	-71.4	178.6	5.2	0	0	112.2	L746 D747 F748 N753 K754	L746-Q750 WeakPolarHBondContact O-CG 3.2Å; L746-Q750 PolarHBondContact O-N 2.87Å; D747-Q750 PolarHBondContact O-N 2.98Å; F748-Q750 VanDerWaalsContact C-N 3.34Å; F748-Q750 PolarHBondContact O-N 3.16Å; Q750-N753 PolarHBondContact O-N 2.05Å; Q750-K754 WeakPolarHBondContact O-CB 3.31Å; Q750-K754 PolarHBondContact O-N 2.77Å
751	E	88.4	Confident	86.9	Confident	110 Å²	110	59.7 Å²	59.7	51%	0.514	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-47.2	175.9	-171.8	-168.6	158.7	0	0	111.5	D747 F748 N753 K754 N755	D747-E751 PolarHBondContact O-N 3.05Å; F748-E751 PolarHBondContact O-N 2.97Å; E751-N753 PolarHBondContact O-N 2.9Å; E751-K754 WeakPolarHBondContact O-CB 3.44Å; E751-K754 PolarHBondContact O-N 3.28Å; E751-N755 PolarHBondContact O-N 3.32Å
752	V	88.3	Confident	86.8	Confident	12 Å²	12	63.7 Å²	63.7	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-57.3	-51.4	176.1	163.7	0	0	0	0	110.7	F748 W749 K754 N755 L756 H771	F748-V752 HydrophobicContact CD1-CG2 4.16Å; F748-V752 HydrophobicContact CD2-CG2 4.19Å; F748-V752 HydrophobicContact CE1-CG2 3.76Å; F748-V752 HydrophobicContact CE2-CG2 3.74Å; F748-V752 HydrophobicContact CG-CG2 4.39Å; F748-V752 HydrophobicContact CZ-CG2 3.54Å; F748-V752 WeakPolarHBondContact O-CB 3.35Å; F748-V752 VanDerWaalsContact O-CG2 3.29Å; F748-V752 WeakPolarHBondContact O-CG2 3.42Å; F748-V752 PolarHBondContact O-N 2.93Å; W749-V752 PolarHBondContact O-N 3.46Å; V752-K754 VanDerWaalsContact C-N 3.29Å; V752-K754 PolarHBondContact O-N 3.25Å; V752-N755 PolarHBondContact O-N 2.85Å; V752-L756 HydrophobicContact CG1-CD1 3.71Å; V752-L756 HydrophobicContact CG1-CG 4.14Å; V752-L756 VanDerWaalsContact O-CG 3.32Å; V752-L756 WeakPolarHBondContact O-CG 3.31Å; V752-L756 PolarHBondContact O-N 2.84Å; V752-H771 WeakPolarHBondContact CG1-CE1 3.49Å
753	N	90.5	Very high	86.8	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.134	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-35.8	-178.7	-81.7	-19.5	0	0	0	112.7	W749 Q750 E751 T757 E763 D764	W749-N753 PolarHBondContact NE1-ND2 2.92Å; W749-N753 WeakPolarHBondContact O-CB 3.18Å; W749-N753 PolarHBondContact O-N 2.88Å; Q750-N753 PolarHBondContact O-N 2.05Å; E751-N753 PolarHBondContact O-N 2.9Å; N753-T757 WeakPolarHBondContact O-CB 3.25Å; N753-T757 WeakPolarHBondContact O-CG2 3.27Å; N753-T757 PolarHBondContact O-N 2.9Å; N753-T757 PolarHBondContact O-OG1 3.08Å; N753-E763 HydrophobicContact CB-CB 4.34Å; N753-D764 PolarHBondContact ND2-O 2.85Å; N753-D764 VanDerWaalsContact ND2-O 3.15Å; N753-D764 PolarHBondContact OD1-N 2.91Å; N753-D764 PolarHBondContact OD1-O 3.31Å
754	K	88.3	Confident	87.1	Confident	150 Å²	150	66.3 Å²	66.3	65%	0.652	34%	0.339	S	S	*	.	H	α-helix	trans	-62.9	-42.6	172.1	-174.9	-176	178	-175.3	0	111.8	Q750 E751 V752 T757 K758	Q750-K754 WeakPolarHBondContact O-CB 3.31Å; Q750-K754 PolarHBondContact O-N 2.77Å; E751-K754 WeakPolarHBondContact O-CB 3.44Å; E751-K754 PolarHBondContact O-N 3.28Å; V752-K754 VanDerWaalsContact C-N 3.29Å; V752-K754 PolarHBondContact O-N 3.25Å; K754-T757 PolarHBondContact O-OG1 3.06Å; K754-T757 VanDerWaalsContact O-OG1 3.07Å; K754-K758 VanDerWaalsContact O-CB 3.24Å; K754-K758 WeakPolarHBondContact O-CB 3.05Å; K754-K758 PolarHBondContact O-N 3.38Å
755	N	87.3	Confident	87	Confident	55 Å²	55	69.7 Å²	69.7	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-42.1	179.2	-71.2	-19.2	0	0	0	112	E751 V752 K758 A759	E751-N755 PolarHBondContact O-N 3.32Å; V752-N755 PolarHBondContact O-N 2.85Å; N755-K758 PolarHBondContact O-N 3.2Å; N755-A759 WeakPolarHBondContact O-CB 3.45Å; N755-A759 PolarHBondContact O-N 2.87Å
756	L	87.9	Confident	86.6	Confident	5 Å²	5	73 Å²	73	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-59.9	-48.4	176	-70.2	173.8	0	0	0	111.6	V752 A759 G760 W761 D764 T792	V752-L756 HydrophobicContact CG1-CD1 3.71Å; V752-L756 HydrophobicContact CG1-CG 4.14Å; V752-L756 VanDerWaalsContact O-CG 3.32Å; V752-L756 WeakPolarHBondContact O-CG 3.31Å; V752-L756 PolarHBondContact O-N 2.84Å; L756-A759 WeakPolarHBondContact O-CB 3.29Å; L756-A759 PolarHBondContact O-N 2.78Å; L756-G760 PolarHBondContact O-N 3.26Å; L756-W761 HydrophobicContact CB-CB 4.45Å; L756-W761 HydrophobicContact CD2-CE3 3.61Å; L756-W761 HydrophobicContact CD2-CZ3 4.2Å; L756-W761 WeakPolarHBondContact O-CA 3.43Å; L756-W761 WeakPolarHBondContact O-CB 2.98Å; L756-W761 PolarHBondContact O-N 2.84Å; L756-D764 HydrophobicContact CD1-CB 4.33Å; L756-T792 HydrophobicContact CD2-CG2 4.39Å
757	T	87	Confident	86.4	Confident	71 Å²	71	67.8 Å²	67.8	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-39	178.9	51.5	0	0	0	0	112.2	N753 K754 A759 G760 W761 E763	N753-T757 WeakPolarHBondContact O-CB 3.25Å; N753-T757 WeakPolarHBondContact O-CG2 3.27Å; N753-T757 PolarHBondContact O-N 2.9Å; N753-T757 PolarHBondContact O-OG1 3.08Å; K754-T757 PolarHBondContact O-OG1 3.06Å; K754-T757 VanDerWaalsContact O-OG1 3.07Å; T757-A759 VanDerWaalsContact C-N 3.26Å; T757-A759 PolarHBondContact O-N 2.84Å; T757-G760 PolarHBondContact O-N 3.04Å; T757-W761 WeakPolarHBondContact CA-O 3.43Å; T757-E763 HydrophobicContact CG2-CB 4.2Å
758	K	83.5	Confident	86.1	Confident	117 Å²	117	63.1 Å²	63.1	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-33.5	172.4	-175.7	-176.9	174.5	-168.6	0	112.5	Y226 K754 N755 G760 L824	Y226-K758 PolarHBondContact OH-NZ 3.43Å; K754-K758 VanDerWaalsContact O-CB 3.24Å; K754-K758 WeakPolarHBondContact O-CB 3.05Å; K754-K758 PolarHBondContact O-N 3.38Å; N755-K758 PolarHBondContact O-N 3.2Å; K758-G760 PolarHBondContact O-N 2.84Å; K758-L824 VanDerWaalsContact O-CD1 3.27Å; K758-L824 WeakPolarHBondContact O-CD1 3.19Å
759	A	83.8	Confident	86.1	Confident	2 Å²	2	62.3 Å²	62.3	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-73.4	-14.3	175.3	0	0	0	0	0	113.3	N755 L756 T757 W761 P822 P823 L824	N755-A759 WeakPolarHBondContact O-CB 3.45Å; N755-A759 PolarHBondContact O-N 2.87Å; L756-A759 WeakPolarHBondContact O-CB 3.29Å; L756-A759 PolarHBondContact O-N 2.78Å; T757-A759 VanDerWaalsContact C-N 3.26Å; T757-A759 PolarHBondContact O-N 2.84Å; A759-W761 HydrophobicContact CB-CD2 3.99Å; A759-W761 HydrophobicContact CB-CE3 3.52Å; A759-W761 HydrophobicContact CB-CZ3 3.84Å; A759-P822 HydrophobicContact CB-CB 3.91Å; A759-P822 HydrophobicContact CB-CG 4.39Å; A759-P823 VanDerWaalsContact O-CD 3.31Å; A759-P823 WeakPolarHBondContact O-CD 3.27Å; A759-L824 PolarHBondContact O-N 2.76Å
760	G	83.8	Confident	86.2	Confident	41 Å²	41	59.4 Å²	59.4	42%	0.423	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	12.5	-174.9	0	0	0	0	0	113.7	L756 T757 K758	L756-G760 PolarHBondContact O-N 3.26Å; T757-G760 PolarHBondContact O-N 3.04Å; K758-G760 PolarHBondContact O-N 2.84Å
761	W	88.3	Confident	86.3	Confident	23 Å²	23	53.9 Å²	53.9	9%	0.087	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-95	160.6	174.9	-62.1	-45.6	0	0	0	111.9	L756 T757 A759 P822 H836 L838	L756-W761 HydrophobicContact CB-CB 4.45Å; L756-W761 HydrophobicContact CD2-CE3 3.61Å; L756-W761 HydrophobicContact CD2-CZ3 4.2Å; L756-W761 WeakPolarHBondContact O-CA 3.43Å; L756-W761 WeakPolarHBondContact O-CB 2.98Å; L756-W761 PolarHBondContact O-N 2.84Å; T757-W761 WeakPolarHBondContact CA-O 3.43Å; A759-W761 HydrophobicContact CB-CD2 3.99Å; A759-W761 HydrophobicContact CB-CE3 3.52Å; A759-W761 HydrophobicContact CB-CZ3 3.84Å; W761-P822 HydrophobicContact CH2-CB 4.28Å; W761-P822 HydrophobicContact CH2-CG 3.64Å; W761-P822 VanDerWaalsContact CZ2-CA 3.48Å; W761-P822 HydrophobicContact CZ2-CB 4.17Å; W761-P822 HydrophobicContact CZ2-CG 3.9Å; W761-P822 HydrophobicContact CZ3-CG 4.34Å; W761-H836 HydrophobicContact CH2-CB 3.9Å; W761-H836 HydrophobicContact CZ3-CB 3.9Å; W761-L838 HydrophobicContact CB-CD2 4.45Å; W761-L838 HydrophobicContact CD2-CB 3.98Å; W761-L838 HydrophobicContact CD2-CD2 4.1Å; W761-L838 HydrophobicContact CE3-CB 4.3Å; W761-L838 HydrophobicContact CG-CD2 3.88Å; W761-L838 HydrophobicContact CH2-CB 3.83Å; W761-L838 HydrophobicContact CZ2-CB 3.46Å; W761-L838 VanDerWaalsContact CZ2-CB 3.46Å; W761-L838 HydrophobicContact CZ3-CB 4.23Å
762	M	86.4	Confident	86.5	Confident	104 Å²	104	48.7 Å²	48.7	51%	0.512	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-69.8	143.6	173.7	-63.1	-172.9	-61.5	0	0	111	R794 Q799	M762-R794 PolarHBondContact O-NH1 2.95Å; M762-R794 PolarHBondContact O-NH2 3.43Å; M762-R794 VanDerWaalsContact O-NH2 3.1Å; M762-Q799 HydrophobicContact CE-CB 3.97Å; M762-Q799 HydrophobicContact CE-CG 3.72Å
763	E	87.5	Confident	86.7	Confident	94 Å²	94	48.9 Å²	48.9	44%	0.439	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-58.7	146.5	170.9	65	-177.6	-178.2	0	0	111.6	N753 T757 K765	N753-E763 HydrophobicContact CB-CB 4.34Å; T757-E763 HydrophobicContact CG2-CB 4.2Å; E763-K765 HydrophobicContact CG-CG 3.74Å; E763-K765 PolarHBondContact O-N 2.89Å; E763-K765 WeakPolarHBondContact OE1-CE 3.5Å
764	D	87.2	Confident	86.8	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	23%	0.232	C	C	.	.			trans	-79.4	94.5	166.7	-177.6	3.2	0	0	0	108.9	S742 W749 N753 L756 Y766 G767 N768 D769	S742-D764 WeakPolarHBondContact CB-OD2 3.45Å; S742-D764 PolarHBondContact OG-OD2 2.95Å; W749-D764 WeakPolarHBondContact CZ2-O 3.4Å; W749-D764 PolarHBondContact NE1-O 2.87Å; N753-D764 PolarHBondContact ND2-O 2.85Å; N753-D764 VanDerWaalsContact ND2-O 3.15Å; N753-D764 PolarHBondContact OD1-N 2.91Å; N753-D764 PolarHBondContact OD1-O 3.31Å; L756-D764 HydrophobicContact CD1-CB 4.33Å; D764-Y766 VanDerWaalsContact C-N 3.3Å; D764-Y766 PolarHBondContact O-N 2.87Å; D764-Y766 PolarHBondContact OD1-N 2.89Å; D764-G767 VanDerWaalsContact CG-N 3.35Å; D764-G767 WeakPolarHBondContact OD1-CA 3.49Å; D764-G767 PolarHBondContact OD1-N 2.87Å; D764-G767 WeakPolarHBondContact OD2-CA 3.46Å; D764-G767 PolarHBondContact OD2-N 2.96Å; D764-N768 PolarHBondContact OD1-N 2.98Å; D764-N768 PolarHBondContact OD2-N 2.98Å; D764-D769 WeakPolarHBondContact CB-OD2 3Å; D764-D769 WeakPolarHBondContact OD2-CB 3.45Å; D764-D769 PolarHBondContact OD2-N 3.2Å
765	K	82.1	Confident	86.8	Confident	138 Å²	138	41.4 Å²	41.4	60%	0.6	21%	0.208	S	C	*	.	S	Bend	trans	-69.8	-24.8	-178.1	-67.4	-174.3	177.1	175.2	0	114.2	W749 E763	W749-K765 WeakPolarHBondContact CZ2-O 3.39Å; E763-K765 HydrophobicContact CG-CG 3.74Å; E763-K765 PolarHBondContact O-N 2.89Å; E763-K765 WeakPolarHBondContact OE1-CE 3.5Å
766	Y	78.1	Confident	86.6	Confident	146 Å²	146	38.9 Å²	38.9	57%	0.573	20%	0.195	S	C	*	.	S	Bend	trans	-107.7	-12.3	-172.5	-58.9	-73.5	0	0	0	112.7	D764 N768	D764-Y766 VanDerWaalsContact C-N 3.3Å; D764-Y766 PolarHBondContact O-N 2.87Å; D764-Y766 PolarHBondContact OD1-N 2.89Å; Y766-N768 WeakPolarHBondContact CB-ND2 3.39Å
767	G	81.6	Confident	85.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	74.3	29	-179.5	0	0	0	0	0	112.6	N743 D764	N743-G767 WeakPolarHBondContact CB-O 3.4Å; N743-G767 PolarHBondContact N-O 3.34Å; D764-G767 VanDerWaalsContact CG-N 3.35Å; D764-G767 WeakPolarHBondContact OD1-CA 3.49Å; D764-G767 PolarHBondContact OD1-N 2.87Å; D764-G767 WeakPolarHBondContact OD2-CA 3.46Å; D764-G767 PolarHBondContact OD2-N 2.96Å
768	N	82.2	Confident	84.7	Confident	24 Å²	24	38.1 Å²	38.1	13%	0.128	19%	0.188	C	C	.	.			trans	-96.6	-12.4	-173.1	-69	-19.1	0	0	0	113.6	F650 Y652 D764 Y766	F650-N768 VanDerWaalsContact CE2-OD1 3.24Å; F650-N768 WeakPolarHBondContact CE2-OD1 3.44Å; Y652-N768 PolarHBondContact OH-O 2.79Å; D764-N768 PolarHBondContact OD1-N 2.98Å; D764-N768 PolarHBondContact OD2-N 2.98Å; Y766-N768 WeakPolarHBondContact CB-ND2 3.39Å
769	D	89	Confident	83.7	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.181	C	C	.	.			trans	-68	143.4	-179.5	-64.5	-18.7	0	0	0	111.3	P741 S742 D764 T792 L793 R794	P741-D769 CarbonylContact C-O 3.59Å; P741-D769 VanDerWaalsContact CA-O 3.3Å; P741-D769 WeakPolarHBondContact CA-O 3.04Å; S742-D769 PolarHBondContact N-O 3.47Å; S742-D769 PolarHBondContact OG-O 2.98Å; D764-D769 WeakPolarHBondContact CB-OD2 3Å; D764-D769 WeakPolarHBondContact OD2-CB 3.45Å; D764-D769 PolarHBondContact OD2-N 3.2Å; D769-T792 HydrophobicContact CB-CG2 3.73Å; D769-L793 WeakPolarHBondContact CA-O 3.38Å; D769-R794 VanDerWaalsContact CG-NE 3.34Å; D769-R794 WeakPolarHBondContact OD1-CA 3.43Å; D769-R794 VanDerWaalsContact OD1-CB 3.31Å; D769-R794 WeakPolarHBondContact OD1-CB 3.09Å; D769-R794 VanDerWaalsContact OD1-CG 3.25Å; D769-R794 WeakPolarHBondContact OD1-CG 3.46Å; D769-R794 IonicContact OD1-CZ 3.75Å; D769-R794 IonicContact OD1-NE 2.7Å; D769-R794 PolarHBondContact OD1-NE 2.94Å; D769-R794 IonicContact OD2-CZ 2.85Å; D769-R794 IonicContact OD2-NE 2.88Å; D769-R794 PolarHBondContact OD2-NE 3Å; D769-R794 IonicContact OD2-NH2 3.48Å; D769-R794 PolarHBondContact OD2-NH2 3.26Å
770	L	89.7	Confident	82.5	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127	172.6	-69.1	173.2	0	0	0	109.5	Y652 P741 T792 L793	Y652-L770 HydrophobicContact CD1-CD1 3.74Å; Y652-L770 HydrophobicContact CD2-CD1 3.9Å; Y652-L770 HydrophobicContact CD2-CD2 4.37Å; Y652-L770 HydrophobicContact CD2-CG 4.48Å; Y652-L770 HydrophobicContact CE1-CD1 3.96Å; Y652-L770 HydrophobicContact CE1-CG 4.37Å; Y652-L770 HydrophobicContact CE2-CD1 4.1Å; Y652-L770 HydrophobicContact CE2-CD2 4.1Å; Y652-L770 HydrophobicContact CE2-CG 4.23Å; Y652-L770 HydrophobicContact CG-CD1 3.72Å; P741-L770 HydrophobicContact CB-CD2 4.13Å; L770-T792 CarbonylContact O-C 3.49Å; L770-T792 WeakPolarHBondContact O-CA 3.33Å; L770-L793 HydrophobicContact CB-CB 4.18Å; L770-L793 HydrophobicContact CB-CD2 4.49Å; L770-L793 HydrophobicContact CD1-CD2 4.12Å; L770-L793 PolarHBondContact N-O 3.4Å; L770-L793 PolarHBondContact O-N 3.2Å
771	H	91.7	Very high	81	Confident	2 Å²	2	41 Å²	41	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.1	-178	-60.3	-86.2	0	0	0	110.3	M739 V740 S742 F748 V752 T792	M739-H771 WeakPolarHBondContact CA-O 3.15Å; V740-H771 PolarHBondContact N-O 2.9Å; V740-H771 PolarHBondContact O-N 3.44Å; S742-H771 PolarHBondContact OG-NE2 2.92Å; F748-H771 HydrophobicContact CZ-CB 4.18Å; V752-H771 WeakPolarHBondContact CG1-CE1 3.49Å; H771-T792 WeakPolarHBondContact CE1-CG2 3.29Å; H771-T792 PolarHBondContact CE1-OG1 2.86Å; H771-T792 PolarHBondContact ND1-OG1 2.78Å
772	Y	92.3	Very high	79.5	Confident	1 Å²	1	42 Å²	42	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.2	168.5	-61.5	-104.1	0	0	0	108.7	L654 I658 M685 L736 M739 V790 I791 L793	L654-Y772 WeakPolarHBondContact CD1-OH 3.15Å; I658-Y772 HydrophobicContact CD1-CE1 4.16Å; M685-Y772 VanDerWaalsContact CE-CB 3.44Å; M685-Y772 HydrophobicContact CE-CD1 3.24Å; M685-Y772 HydrophobicContact CE-CD2 3.25Å; M685-Y772 HydrophobicContact CE-CE1 3.62Å; M685-Y772 HydrophobicContact CE-CE2 3.66Å; M685-Y772 HydrophobicContact CE-CG 3.01Å; L736-Y772 HydrophobicContact CD1-CD1 4.21Å; M739-Y772 HydrophobicContact CB-CD1 3.84Å; M739-Y772 HydrophobicContact CB-CE1 4.04Å; M739-Y772 HydrophobicContact CB-CG 4.43Å; M739-Y772 HydrophobicContact CG-CD1 3.71Å; M739-Y772 HydrophobicContact CG-CD2 4.41Å; M739-Y772 HydrophobicContact CG-CE1 3.53Å; M739-Y772 HydrophobicContact CG-CE2 4.22Å; M739-Y772 HydrophobicContact CG-CG 4.16Å; M739-Y772 HydrophobicContact SD-CD1 3.98Å; M739-Y772 HydrophobicContact SD-CE1 3.17Å; M739-Y772 WeakPolarHBondContact SD-CE1 3.49Å; M739-Y772 HydrophobicContact SD-CE2 4.25Å; M739-Y772 PolarHBondContact SD-OH 2.86Å; Y772-V790 CarbonylContact O-C 3.58Å; Y772-V790 WeakPolarHBondContact O-CA 2.96Å; Y772-I791 PolarHBondContact N-O 2.83Å; Y772-I791 PolarHBondContact O-N 2.78Å; Y772-L793 HydrophobicContact CE2-CB 4.2Å; Y772-L793 HydrophobicContact CE2-CD2 4.33Å
773	V	92.6	Very high	78.8	Confident	16 Å²	16	37.3 Å²	37.3	10%	0.097	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.5	-179.4	-175.6	0	0	0	0	107.8	I737 R738 T788 V790	I737-V773 WeakPolarHBondContact CA-O 3.36Å; I737-V773 WeakPolarHBondContact CB-O 3.5Å; I737-V773 PolarHBondContact N-O 3.49Å; R738-V773 HydrophobicContact CG-CB 3.86Å; R738-V773 HydrophobicContact CG-CG2 4.08Å; R738-V773 PolarHBondContact N-O 3.44Å; R738-V773 PolarHBondContact O-N 2.88Å; V773-T788 HydrophobicContact CG1-CG2 4.05Å; V773-V790 HydrophobicContact CG1-CG2 4.49Å; V773-V790 HydrophobicContact CG2-CG1 4.49Å; V773-V790 HydrophobicContact CG2-CG2 4.46Å
774	F	92.3	Very high	77.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	155.7	174.5	-63.2	-102.4	0	0	0	110.4	M685 I709 A733 R735 L736 T788 T789 I791	M685-F774 HydrophobicContact CE-CE2 4.01Å; M685-F774 HydrophobicContact CE-CZ 4.32Å; M685-F774 HydrophobicContact SD-CE2 4.08Å; M685-F774 HydrophobicContact SD-CZ 4.19Å; I709-F774 HydrophobicContact CD1-CB 4.49Å; I709-F774 HydrophobicContact CD1-CD2 3.81Å; I709-F774 HydrophobicContact CD1-CE2 4.09Å; I709-F774 HydrophobicContact CD1-CG 4.06Å; A733-F774 HydrophobicContact CB-CB 3.26Å; A733-F774 HydrophobicContact CB-CD1 4.32Å; A733-F774 HydrophobicContact CB-CG 4.02Å; R735-F774 VanDerWaalsContact O-CA 3.24Å; R735-F774 WeakPolarHBondContact O-CA 3.36Å; R735-F774 WeakPolarHBondContact O-CB 3.45Å; L736-F774 HydrophobicContact CB-CD1 3.96Å; L736-F774 HydrophobicContact CB-CE1 3.75Å; L736-F774 HydrophobicContact CB-CZ 4.39Å; L736-F774 HydrophobicContact CD1-CD1 4.21Å; L736-F774 HydrophobicContact CD1-CD2 4.17Å; L736-F774 HydrophobicContact CD1-CE1 3.91Å; L736-F774 HydrophobicContact CD1-CE2 3.88Å; L736-F774 HydrophobicContact CD1-CG 4.32Å; L736-F774 HydrophobicContact CD1-CZ 3.73Å; L736-F774 HydrophobicContact CG-CE1 4.42Å; F774-T788 WeakPolarHBondContact O-CA 3.28Å; F774-T788 WeakPolarHBondContact O-CG2 3.27Å; F774-T789 PolarHBondContact N-O 2.74Å; F774-T789 PolarHBondContact O-N 2.72Å; F774-I791 HydrophobicContact CE2-CD1 4.16Å
775	A	88	Confident	77.1	Confident	18 Å²	18	44.7 Å²	44.7	15%	0.149	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.2	172.7	0	0	0	0	0	110.7	D734 R735 I737 R787	D734-A775 PolarHBondContact N-O 2.84Å; R735-A775 PolarHBondContact N-O 2.87Å; R735-A775 VanDerWaalsContact N-O 3.14Å; R735-A775 PolarHBondContact O-N 2.8Å; I737-A775 HydrophobicContact CD1-CB 3.92Å; I737-A775 HydrophobicContact CG1-CB 3.72Å; A775-R787 CarbonylContact C-O 3.56Å; A775-R787 WeakPolarHBondContact CA-O 3.47Å
776	S	83	Confident	76.8	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	165.9	177.6	0	0	0	0	109.4	D734 D778 G786 R787	D734-S776 WeakPolarHBondContact OD2-CA 3.42Å; D734-S776 VanDerWaalsContact OD2-CB 3.25Å; D734-S776 WeakPolarHBondContact OD2-CB 3.45Å; D734-S776 PolarHBondContact OD2-OG 2.84Å; S776-D778 PolarHBondContact O-N 3.07Å; S776-D778 WeakPolarHBondContact OG-CB 3.48Å; S776-D778 PolarHBondContact OG-N 2.88Å; S776-G786 WeakPolarHBondContact O-CA 3.31Å; S776-R787 PolarHBondContact N-O 2.7Å; S776-R787 PolarHBondContact O-N 3.49Å
777	D	69.5	Low	77.1	Confident	26 Å²	26	32 Å²	32	14%	0.139	18%	0.179	C	C	.	.			trans	-85.5	18	176.4	-62.6	-24.6	0	0	0	111.1	Q503 D734 R735 H779	Q503-D777 VanDerWaalsContact CD-CB 3.48Å; Q503-D777 HydrophobicContact CG-CB 4.04Å; Q503-D777 VanDerWaalsContact NE2-CB 3.25Å; Q503-D777 VanDerWaalsContact NE2-CG 3.28Å; Q503-D777 PolarHBondContact NE2-OD2 2.9Å; D734-D777 PolarHBondContact OD2-N 2.81Å; R735-D777 IonicContact CZ-OD1 3.63Å; R735-D777 IonicContact CZ-OD2 3.06Å; R735-D777 IonicContact NH1-OD1 3.26Å; R735-D777 IonicContact NH1-OD2 3.13Å; R735-D777 PolarHBondContact NH1-OD2 2.91Å; R735-D777 IonicContact NH2-OD1 3.69Å; R735-D777 PolarHBondContact NH2-OD1 2.03Å; R735-D777 IonicContact NH2-OD2 2.72Å; R735-D777 PolarHBondContact NH2-OD2 3.27Å; D777-H779 PolarHBondContact O-CD2 2.9Å; D777-H779 PolarHBondContact O-N 2.97Å
778	D	66.2	Low	77.6	Confident	34 Å²	34	34.5 Å²	34.5	18%	0.182	19%	0.194	C	C	.	.			trans	-75.3	82.9	174	-167.2	39	0	0	0	110.9	R731 S776 R787	R731-D778 IonicContact CZ-OD1 3.49Å; R731-D778 IonicContact NE-OD1 4Å; R731-D778 VanDerWaalsContact NH2-CG 3.35Å; R731-D778 IonicContact NH2-OD1 3.73Å; R731-D778 PolarHBondContact NH2-OD1 2.92Å; S776-D778 PolarHBondContact O-N 3.07Å; S776-D778 WeakPolarHBondContact OG-CB 3.48Å; S776-D778 PolarHBondContact OG-N 2.88Å; D778-R787 IonicContact OD2-CZ 3.52Å; D778-R787 IonicContact OD2-NH1 2.9Å; D778-R787 PolarHBondContact OD2-NH1 2.9Å
779	H	61.7	Low	78.1	Confident	78 Å²	78	33.3 Å²	33.3	36%	0.361	19%	0.188	S	C	.	.			trans	-72.8	130.4	178.4	-61.2	-82.4	0	0	0	111.3	D777 P784 G786	D777-H779 PolarHBondContact O-CD2 2.9Å; D777-H779 PolarHBondContact O-N 2.97Å; H779-P784 PolarHBondContact ND1-O 3.28Å; H779-G786 PolarHBondContact ND1-N 3.02Å
780	S	59.9	Low	78.3	Confident	32 Å²	32	34.3 Å²	34.3	22%	0.224	19%	0.194	C	C	.	.			trans	-130	163.6	172.5	66	0	0	0	0	110.1	N782 C783	S780-N782 PolarHBondContact O-N 2.89Å; S780-N782 VanDerWaalsContact O-N 3.12Å; S780-C783 PolarHBondContact N-O 3.4Å; S780-C783 CarbonylContact O-C 3.55Å; S780-C783 PolarHBondContact O-N 2.81Å; S780-C783 PolarHBondContact OG-N 2.75Å
781	P	52.1	Low	78.5	Confident	111 Å²	111	34.1 Å²	34.1	72%	0.721	19%	0.193	S	C	*	.	S	Bend	trans	-53.2	-32.2	173.9	-26.5	35.1	0	0	0	113.2
782	N	57.1	Low	78.6	Confident	44 Å²	44	34.2 Å²	34.2	24%	0.235	19%	0.194	C	C	.	.	S	Bend	trans	-84.7	-27.2	179.8	-62.6	15.8	0	0	0	112.5	L228 S780 C833	L228-N782 HydrophobicContact CD2-CB 3.91Å; S780-N782 PolarHBondContact O-N 2.89Å; S780-N782 VanDerWaalsContact O-N 3.12Å; N782-C833 PolarHBondContact O-SG 2.73Å; N782-C833 VanDerWaalsContact O-SG 3.4Å
783	C	72.1	Confident	78.6	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.034	19%	0.194	C	C	.	.			trans	-125	74.7	177.4	-55.5	0	0	0	0	110.2	S780 H785 G786 C833	S780-C783 PolarHBondContact N-O 3.4Å; S780-C783 CarbonylContact O-C 3.55Å; S780-C783 PolarHBondContact O-N 2.81Å; S780-C783 PolarHBondContact OG-N 2.75Å; C783-H785 PolarHBondContact O-N 2.78Å; C783-G786 PolarHBondContact O-N 2.97Å; C783-G786 VanDerWaalsContact O-N 3.08Å; C783-C833 WeakPolarHBondContact CA-SG 3.4Å; C783-C833 HydrophobicContact CB-CB 3.91Å; C783-C833 WeakPolarHBondContact CB-SG 3.25Å; C783-C833 WeakPolarHBondContact SG-CA 3.47Å; C783-C833 WeakPolarHBondContact SG-CB 3.47Å; C783-C833 CovalentContact SG-SG 2.04Å; C783-C833 PolarHBondContact SG-SG 3.07Å
784	P	63.7	Low	78.5	Confident	79 Å²	79	33.7 Å²	33.7	51%	0.513	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22	-175.6	26.1	-35.2	0	0	0	112.8	H779	H779-P784 PolarHBondContact ND1-O 3.28Å
785	H	74.3	Confident	78.2	Confident	177 Å²	177	34 Å²	34	82%	0.819	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	8.8	177.3	-59.8	-62.1	0	0	0	113.7	C783	C783-H785 PolarHBondContact O-N 2.78Å
786	G	75.8	Confident	77.8	Confident	6 Å²	6	33.5 Å²	33.5	6%	0.062	19%	0.187	C	C	.	.			trans	81	-169.8	-171.4	0	0	0	0	0	112.1	S776 H779 C783	S776-G786 WeakPolarHBondContact O-CA 3.31Å; H779-G786 PolarHBondContact ND1-N 3.02Å; C783-G786 PolarHBondContact O-N 2.97Å; C783-G786 VanDerWaalsContact O-N 3.08Å
787	R	85.2	Confident	77.5	Confident	13 Å²	13	35.7 Å²	35.7	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.1	178	-63.4	-172	-178.2	88.4	6.5	110.8	R731 A775 S776 D778 C833	R731-R787 PolarHBondContact O-NH1 2.77Å; A775-R787 CarbonylContact C-O 3.56Å; A775-R787 WeakPolarHBondContact CA-O 3.47Å; S776-R787 PolarHBondContact N-O 2.7Å; S776-R787 PolarHBondContact O-N 3.49Å; D778-R787 IonicContact OD2-CZ 3.52Å; D778-R787 IonicContact OD2-NH1 2.9Å; D778-R787 PolarHBondContact OD2-NH1 2.9Å; R787-C833 VanDerWaalsContact CA-O 3.28Å; R787-C833 WeakPolarHBondContact CA-O 3.3Å; R787-C833 WeakPolarHBondContact CB-O 3.11Å
788	T	90.8	Very high	77.4	Confident	51 Å²	51	37 Å²	37	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.4	174.5	-58.8	0	0	0	0	108.6	V773 F774 V790 C833 T834 Y835	V773-T788 HydrophobicContact CG1-CG2 4.05Å; F774-T788 WeakPolarHBondContact O-CA 3.28Å; F774-T788 WeakPolarHBondContact O-CG2 3.27Å; T788-V790 HydrophobicContact CG2-CG2 4.18Å; T788-C833 PolarHBondContact N-O 2.99Å; T788-T834 CarbonylContact O-C 3.53Å; T788-T834 VanDerWaalsContact O-CA 3.26Å; T788-T834 WeakPolarHBondContact O-CA 2.99Å; T788-Y835 PolarHBondContact O-N 2.98Å
789	T	93.6	Very high	77.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.2	174.3	-61.2	0	0	0	0	109.3	I709 L732 F774 I791 Y835 F837	I709-T789 HydrophobicContact CD1-CG2 3.49Å; I709-T789 VanDerWaalsContact CD1-CG2 3.49Å; L732-T789 PolarHBondContact O-OG1 2.83Å; F774-T789 PolarHBondContact N-O 2.74Å; F774-T789 PolarHBondContact O-N 2.72Å; T789-I791 HydrophobicContact CG2-CG1 4.35Å; T789-Y835 CarbonylContact C-O 3.57Å; T789-Y835 WeakPolarHBondContact CA-O 3.42Å; T789-F837 HydrophobicContact CG2-CD2 3.8Å; T789-F837 HydrophobicContact CG2-CE2 3.57Å
790	V	93.7	Very high	77.1	Confident	22 Å²	22	39.7 Å²	39.7	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121	179.5	-175	0	0	0	0	109.1	Y772 V773 T788 Y835 H836 F837	Y772-V790 CarbonylContact O-C 3.58Å; Y772-V790 WeakPolarHBondContact O-CA 2.96Å; V773-V790 HydrophobicContact CG1-CG2 4.49Å; V773-V790 HydrophobicContact CG2-CG1 4.49Å; V773-V790 HydrophobicContact CG2-CG2 4.46Å; T788-V790 HydrophobicContact CG2-CG2 4.18Å; V790-Y835 PolarHBondContact N-O 2.03Å; V790-H836 CarbonylContact O-C 3.49Å; V790-H836 WeakPolarHBondContact O-CA 3.28Å; V790-F837 PolarHBondContact O-N 2.67Å
791	I	94.2	Very high	76.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.2	174.1	-58.1	171	0	0	0	107.4	I683 M685 I709 Y772 F774 T789 F837 W839	I683-I791 HydrophobicContact CD1-CD1 4.43Å; I683-I791 HydrophobicContact CG2-CD1 3.4Å; M685-I791 HydrophobicContact CE-CB 4.14Å; M685-I791 HydrophobicContact CE-CD1 3.96Å; M685-I791 HydrophobicContact CE-CG2 4.11Å; M685-I791 HydrophobicContact SD-CD1 3.29Å; M685-I791 WeakPolarHBondContact SD-CD1 3.07Å; M685-I791 HydrophobicContact SD-CG1 4.46Å; M685-I791 HydrophobicContact SD-CG2 4.4Å; I709-I791 HydrophobicContact CD1-CD1 3.62Å; I709-I791 HydrophobicContact CD1-CG1 4.47Å; Y772-I791 PolarHBondContact N-O 2.83Å; Y772-I791 PolarHBondContact O-N 2.78Å; F774-I791 HydrophobicContact CE2-CD1 4.16Å; T789-I791 HydrophobicContact CG2-CG1 4.35Å; I791-F837 WeakPolarHBondContact CA-O 3.07Å; I791-F837 HydrophobicContact CG1-CB 4.12Å; I791-F837 HydrophobicContact CG1-CD2 4.04Å; I791-F837 HydrophobicContact CG1-CG 4.43Å; I791-F837 HydrophobicContact CG2-CB 4.47Å; I791-W839 HydrophobicContact CG2-CB 4.2Å; I791-W839 HydrophobicContact CG2-CE3 4.45Å
792	T	93.6	Very high	76.8	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	106.7	178.2	-60	0	0	0	0	108.7	L756 D769 L770 H771 F837 L838 W839	L756-T792 HydrophobicContact CD2-CG2 4.39Å; D769-T792 HydrophobicContact CB-CG2 3.73Å; L770-T792 CarbonylContact O-C 3.49Å; L770-T792 WeakPolarHBondContact O-CA 3.33Å; H771-T792 WeakPolarHBondContact CE1-CG2 3.29Å; H771-T792 PolarHBondContact CE1-OG1 2.86Å; H771-T792 PolarHBondContact ND1-OG1 2.78Å; T792-F837 PolarHBondContact N-O 3.22Å; T792-L838 HydrophobicContact CG2-CD1 3.96Å; T792-W839 PolarHBondContact O-N 3.33Å
793	L	92.1	Very high	76.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.9	172	172.5	62.9	0	0	0	109.2	L654 D769 L770 Y772 W839	L654-L793 HydrophobicContact CD2-CD2 3.77Å; D769-L793 WeakPolarHBondContact CA-O 3.38Å; L770-L793 HydrophobicContact CB-CB 4.18Å; L770-L793 HydrophobicContact CB-CD2 4.49Å; L770-L793 HydrophobicContact CD1-CD2 4.12Å; L770-L793 PolarHBondContact N-O 3.4Å; L770-L793 PolarHBondContact O-N 3.2Å; Y772-L793 HydrophobicContact CE2-CB 4.2Å; Y772-L793 HydrophobicContact CE2-CD2 4.33Å; L793-W839 CarbonylContact C-O 3.6Å; L793-W839 WeakPolarHBondContact CA-O 3.48Å; L793-W839 HydrophobicContact CB-CE3 4.11Å; L793-W839 HydrophobicContact CD1-CB 4.41Å; L793-W839 HydrophobicContact CD1-CD2 3.62Å; L793-W839 HydrophobicContact CD1-CE3 3.65Å; L793-W839 HydrophobicContact CD1-CG 3.98Å; L793-W839 HydrophobicContact CD1-CH2 4.5Å; L793-W839 HydrophobicContact CD1-CZ2 4.49Å; L793-W839 HydrophobicContact CD1-CZ3 4.1Å; L793-W839 HydrophobicContact CD2-CE3 4.41Å; L793-W839 HydrophobicContact CD2-CZ3 4.26Å; L793-W839 HydrophobicContact CG-CE3 4.26Å
794	R	90	Very high	75.7	Confident	5 Å²	5	47.1 Å²	47.1	2%	0.019	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.1	-177.1	174.3	167.3	-70.8	-178.7	-2.9	111.1	M762 D769 I796 L838 W839 T840 S841	M762-R794 PolarHBondContact O-NH1 2.95Å; M762-R794 PolarHBondContact O-NH2 3.43Å; M762-R794 VanDerWaalsContact O-NH2 3.1Å; D769-R794 VanDerWaalsContact CG-NE 3.34Å; D769-R794 WeakPolarHBondContact OD1-CA 3.43Å; D769-R794 VanDerWaalsContact OD1-CB 3.31Å; D769-R794 WeakPolarHBondContact OD1-CB 3.09Å; D769-R794 VanDerWaalsContact OD1-CG 3.25Å; D769-R794 WeakPolarHBondContact OD1-CG 3.46Å; D769-R794 IonicContact OD1-CZ 3.75Å; D769-R794 IonicContact OD1-NE 2.7Å; D769-R794 PolarHBondContact OD1-NE 2.94Å; D769-R794 IonicContact OD2-CZ 2.85Å; D769-R794 IonicContact OD2-NE 2.88Å; D769-R794 PolarHBondContact OD2-NE 3Å; D769-R794 IonicContact OD2-NH2 3.48Å; D769-R794 PolarHBondContact OD2-NH2 3.26Å; R794-I796 PolarHBondContact O-N 3.12Å; R794-L838 HydrophobicContact CB-CD1 3.9Å; R794-W839 PolarHBondContact N-O 2.84Å; R794-T840 WeakPolarHBondContact O-CA 3.34Å; R794-S841 PolarHBondContact O-N 3.4Å
795	C	86.4	Confident	75.2	Confident	7 Å²	7	46.9 Å²	46.9	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	131.2	172.2	179.5	0	0	0	0	111.2	F797 T798 G844 C845	C795-F797 PolarHBondContact O-N 3.01Å; C795-T798 HydrophobicContact CB-CG2 4.02Å; C795-T798 PolarHBondContact O-N 3.07Å; C795-T798 PolarHBondContact O-OG1 3.34Å; C795-G844 WeakPolarHBondContact CB-O 3.27Å; C795-G844 PolarHBondContact N-O 3.31Å; C795-C845 WeakPolarHBondContact CA-SG 3.37Å; C795-C845 HydrophobicContact CB-CB 3.88Å; C795-C845 WeakPolarHBondContact CB-SG 3.18Å; C795-C845 VanDerWaalsContact SG-CA 3.59Å; C795-C845 WeakPolarHBondContact SG-CB 3.48Å; C795-C845 CovalentContact SG-SG 2.04Å; C795-C845 PolarHBondContact SG-SG 3.36Å
796	I	80.1	Confident	74.3	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.041	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-60.4	-28.3	-179.6	-166.5	155.9	0	0	0	114.1	R794 T798 Y804 Y814 T840 S841	R794-I796 PolarHBondContact O-N 3.12Å; I796-T798 VanDerWaalsContact C-N 3.34Å; I796-T798 PolarHBondContact O-N 3.2Å; I796-Y804 HydrophobicContact CD1-CD1 4.49Å; I796-Y804 HydrophobicContact CD1-CE1 3.73Å; I796-Y804 HydrophobicContact CG1-CD1 4.34Å; I796-Y804 HydrophobicContact CG1-CE1 3.91Å; I796-Y814 HydrophobicContact CD1-CD2 3.46Å; I796-Y814 VanDerWaalsContact CD1-CD2 3.46Å; I796-Y814 HydrophobicContact CD1-CE2 3.49Å; I796-Y814 VanDerWaalsContact CD1-CE2 3.49Å; I796-Y814 HydrophobicContact CD1-CG 4.06Å; I796-Y814 HydrophobicContact CG1-CD2 4.47Å; I796-Y814 HydrophobicContact CG1-CE2 4.03Å; I796-Y814 HydrophobicContact CG2-CE1 4.25Å; I796-Y814 HydrophobicContact CG2-CE2 4.36Å; I796-T840 HydrophobicContact CB-CG2 3.92Å; I796-T840 HydrophobicContact CG1-CG2 3.93Å; I796-S841 PolarHBondContact N-O 3.29Å
797	F	74.6	Confident	73.2	Confident	47 Å²	47	55.4 Å²	55.4	21%	0.206	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-82.5	-2.6	-176.4	-60.5	-78.2	0	0	0	115	C795 Q799 F801 Y814 W873	C795-F797 PolarHBondContact O-N 3.01Å; F797-Q799 VanDerWaalsContact C-N 3.29Å; F797-F801 HydrophobicContact CD1-CD2 4.05Å; F797-F801 HydrophobicContact CD1-CE2 4.04Å; F797-F801 HydrophobicContact CE1-CD2 4.45Å; F797-F801 AromaticContact CE1-CE2 3.97Å; F797-F801 HydrophobicContact CE1-CE2 3.97Å; F797-Y814 WeakPolarHBondContact CE1-OH 3.09Å; F797-Y814 HydrophobicContact CZ-CE1 4.07Å; F797-Y814 AromaticContact CZ-CZ 3.93Å; F797-Y814 WeakPolarHBondContact CZ-OH 3.4Å; F797-W873 HydrophobicContact CB-CB 4.12Å; F797-W873 WeakPolarHBondContact CB-O 3.48Å; F797-W873 HydrophobicContact CD1-CB 3.88Å; F797-W873 HydrophobicContact CD1-CG 4.4Å; F797-W873 WeakPolarHBondContact CD2-O 3.24Å; F797-W873 HydrophobicContact CE1-CB 4.41Å; F797-W873 WeakPolarHBondContact CE2-O 3.24Å; F797-W873 HydrophobicContact CG-CB 4.03Å; F797-W873 WeakPolarHBondContact CG-O 3.01Å
798	T	68.6	Low	71.7	Confident	54 Å²	54	57.2 Å²	57.2	33%	0.331	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-81.2	-11.5	177.1	60.5	0	0	0	0	113	C795 I796	C795-T798 HydrophobicContact CB-CG2 4.02Å; C795-T798 PolarHBondContact O-N 3.07Å; C795-T798 PolarHBondContact O-OG1 3.34Å; I796-T798 VanDerWaalsContact C-N 3.34Å; I796-T798 PolarHBondContact O-N 3.2Å
799	Q	63.5	Low	70	Confident	41 Å²	41	64.8 Å²	64.8	19%	0.192	31%	0.307	C	S	.	.	S	Bend	trans	-86.7	161.8	174.5	-52.1	-167.4	11.5	0	0	111.1	M762 F797 F801	M762-Q799 HydrophobicContact CE-CB 3.97Å; M762-Q799 HydrophobicContact CE-CG 3.72Å; F797-Q799 VanDerWaalsContact C-N 3.29Å; Q799-F801 PolarHBondContact O-N 2.85Å
800	N	57.3	Low	68.3	Low	128 Å²	128	68.8 Å²	68.8	68%	0.684	33%	0.329	S	S	*	.			trans	-57.2	101.3	173.8	-94.8	-6.2	0	0	0	110.1	E802 T803 Y804	N800-E802 PolarHBondContact O-N 2.05Å; N800-T803 PolarHBondContact O-N 3.1Å; N800-T803 VanDerWaalsContact O-N 3.1Å; N800-Y804 PolarHBondContact O-N 2.96Å
801	F	54.3	Low	66.6	Low	49 Å²	49	71.7 Å²	71.7	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-55.3	-38.3	-174.3	-175.3	-96.5	0	0	0	112.7	F797 Q799 T803 Y804 M805 W873	F797-F801 HydrophobicContact CD1-CD2 4.05Å; F797-F801 HydrophobicContact CD1-CE2 4.04Å; F797-F801 HydrophobicContact CE1-CD2 4.45Å; F797-F801 AromaticContact CE1-CE2 3.97Å; F797-F801 HydrophobicContact CE1-CE2 3.97Å; Q799-F801 PolarHBondContact O-N 2.85Å; F801-T803 PolarHBondContact O-N 3.5Å; F801-Y804 PolarHBondContact O-N 3.12Å; F801-M805 HydrophobicContact CD1-CG 4.25Å; F801-M805 HydrophobicContact CD2-CG 4.5Å; F801-M805 HydrophobicContact CE1-CG 3.81Å; F801-M805 HydrophobicContact CE2-CG 4.09Å; F801-M805 HydrophobicContact CE2-SD 4.4Å; F801-M805 HydrophobicContact CZ-CG 3.72Å; F801-M805 HydrophobicContact CZ-SD 4.11Å; F801-M805 PolarHBondContact O-N 3.2Å; F801-W873 HydrophobicContact CB-CZ3 4.35Å; F801-W873 HydrophobicContact CD1-CH2 4.13Å; F801-W873 HydrophobicContact CD1-CZ3 4.09Å; F801-W873 HydrophobicContact CE1-CH2 4.26Å; F801-W873 HydrophobicContact CG-CE3 4.45Å; F801-W873 HydrophobicContact CG-CZ3 4.1Å
802	E	52.8	Low	65	Low	168 Å²	168	74.4 Å²	74.4	79%	0.785	36%	0.358	S	S	*	.	H	α-helix	trans	-62.1	-38.2	179.4	-66.3	-169.2	166.2	0	0	113.2	N800	N800-E802 PolarHBondContact O-N 2.05Å
803	T	53.1	Low	63.4	Low	86 Å²	86	78.2 Å²	78.2	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-77.9	-35.5	-178.8	-36.3	0	0	0	0	111.6	N800 F801	N800-T803 PolarHBondContact O-N 3.1Å; N800-T803 VanDerWaalsContact O-N 3.1Å; F801-T803 PolarHBondContact O-N 3.5Å
804	Y	52.9	Low	61.8	Low	45 Å²	45	79.1 Å²	79.1	18%	0.176	38%	0.379	C	S	.	.	H	α-helix	trans	-75.4	-41.1	-173	-158.2	-94.6	0	0	0	112	I796 N800 F801 Y806 Q807 I808	I796-Y804 HydrophobicContact CD1-CD1 4.49Å; I796-Y804 HydrophobicContact CD1-CE1 3.73Å; I796-Y804 HydrophobicContact CG1-CD1 4.34Å; I796-Y804 HydrophobicContact CG1-CE1 3.91Å; N800-Y804 PolarHBondContact O-N 2.96Å; F801-Y804 PolarHBondContact O-N 3.12Å; Y804-Y806 VanDerWaalsContact C-N 3.27Å; Y804-Y806 PolarHBondContact O-N 3.35Å; Y804-Q807 PolarHBondContact O-N 2.94Å; Y804-Q807 VanDerWaalsContact O-N 3.09Å; Y804-I808 HydrophobicContact CD1-CD1 3.87Å; Y804-I808 HydrophobicContact CD1-CG1 4.24Å; Y804-I808 HydrophobicContact CE1-CD1 4.02Å; Y804-I808 HydrophobicContact CE1-CG1 4.21Å
805	M	53.1	Low	60.7	Low	74 Å²	74	80.3 Å²	80.3	37%	0.365	39%	0.386	S	S	.	.	H	α-helix	trans	-60	-32.1	-178.8	-81.7	-66.9	-66.6	0	0	114.1	F801 Q807 I808	F801-M805 HydrophobicContact CD1-CG 4.25Å; F801-M805 HydrophobicContact CD2-CG 4.5Å; F801-M805 HydrophobicContact CE1-CG 3.81Å; F801-M805 HydrophobicContact CE2-CG 4.09Å; F801-M805 HydrophobicContact CE2-SD 4.4Å; F801-M805 HydrophobicContact CZ-CG 3.72Å; F801-M805 HydrophobicContact CZ-SD 4.11Å; F801-M805 PolarHBondContact O-N 3.2Å; M805-Q807 PolarHBondContact O-N 3.3Å; M805-I808 HydrophobicContact SD-CD1 4.12Å
806	Y	55.2	Low	59.9	Low	218 Å²	218	82.2 Å²	82.2	86%	0.855	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.6	178.8	-99.8	-82.6	0	0	0	114	Y804	Y804-Y806 VanDerWaalsContact C-N 3.27Å; Y804-Y806 PolarHBondContact O-N 3.35Å
807	Q	51.9	Low	59.6	Low	144 Å²	144	82.3 Å²	82.3	67%	0.673	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.5	-174.2	-63.9	-174.3	-6.6	0	0	114.1	Y804 M805	Y804-Q807 PolarHBondContact O-N 2.94Å; Y804-Q807 VanDerWaalsContact O-N 3.09Å; M805-Q807 PolarHBondContact O-N 3.3Å
808	I	53.2	Low	60	Low	50 Å²	50	84 Å²	84	26%	0.256	41%	0.407	S	S	.	.			trans	-84.4	127.1	-171.8	-56.5	168.9	0	0	0	110.2	Y804 M805 D810 Y814	Y804-I808 HydrophobicContact CD1-CD1 3.87Å; Y804-I808 HydrophobicContact CD1-CG1 4.24Å; Y804-I808 HydrophobicContact CE1-CD1 4.02Å; Y804-I808 HydrophobicContact CE1-CG1 4.21Å; M805-I808 HydrophobicContact SD-CD1 4.12Å; I808-D810 WeakPolarHBondContact CG2-O 3.32Å; I808-Y814 HydrophobicContact CD1-CD2 3.9Å; I808-Y814 HydrophobicContact CD1-CE2 4.18Å
809	K	55.8	Low	61.1	Low	210 Å²	210	82.2 Å²	82.2	91%	0.913	40%	0.396	S	S	*	.	S	Bend	trans	-101.1	-29	174	-67.4	-176.5	-179.6	178.9	0	113.4
810	D	58	Low	62.3	Low	85 Å²	85	82.8 Å²	82.8	46%	0.455	40%	0.398	S	S	.	.			trans	-132.4	127.2	-174.8	-167.3	-29.5	0	0	0	110.6	I808 S812 E813	I808-D810 WeakPolarHBondContact CG2-O 3.32Å; D810-S812 VanDerWaalsContact C-N 3.32Å; D810-S812 PolarHBondContact O-N 2.77Å; D810-S812 WeakPolarHBondContact OD1-CB 3.43Å; D810-S812 PolarHBondContact OD1-N 2.77Å; D810-S812 PolarHBondContact OD1-OG 2.86Å; D810-S812 PolarHBondContact OD2-OG 2.79Å; D810-E813 PolarHBondContact O-N 2.77Å
811	F	59.1	Low	63.9	Low	83 Å²	83	77.7 Å²	77.7	36%	0.364	37%	0.371	S	S	.	.	S	Bend	trans	-70.8	-23.5	179.1	-106.8	-88.9	0	0	0	113	E813 Y814	F811-E813 VanDerWaalsContact C-N 3.29Å; F811-E813 PolarHBondContact O-N 2.82Å; F811-Y814 WeakPolarHBondContact O-CB 3.36Å; F811-Y814 PolarHBondContact O-N 2.89Å; F811-Y814 VanDerWaalsContact O-N 3.14Å
812	S	60.1	Low	65.5	Low	56 Å²	56	75.4 Å²	75.4	39%	0.392	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-34	177.2	64.9	0	0	0	0	112.2	D810 Y814 I815 T816	D810-S812 VanDerWaalsContact C-N 3.32Å; D810-S812 PolarHBondContact O-N 2.77Å; D810-S812 WeakPolarHBondContact OD1-CB 3.43Å; D810-S812 PolarHBondContact OD1-N 2.77Å; D810-S812 PolarHBondContact OD1-OG 2.86Å; D810-S812 PolarHBondContact OD2-OG 2.79Å; S812-Y814 PolarHBondContact O-N 3.03Å; S812-I815 PolarHBondContact O-N 2.67Å; S812-I815 VanDerWaalsContact O-N 3.07Å; S812-T816 PolarHBondContact O-N 2.76Å; S812-T816 PolarHBondContact O-OG1 3.19Å
813	E	59.1	Low	67	Low	85 Å²	85	71.6 Å²	71.6	40%	0.397	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-26.9	174.3	-164.4	174	-173.8	0	0	111.7	D810 F811 G817 K818	D810-E813 PolarHBondContact O-N 2.77Å; F811-E813 VanDerWaalsContact C-N 3.29Å; F811-E813 PolarHBondContact O-N 2.82Å; E813-G817 CarbonylContact O-C 3.58Å; E813-G817 WeakPolarHBondContact O-CA 3.49Å; E813-G817 PolarHBondContact O-N 2.92Å; E813-K818 HydrophobicContact CG-CB 4.43Å; E813-K818 WeakPolarHBondContact OE1-CD 2.96Å
814	Y	59.9	Low	68.2	Low	18 Å²	18	72.4 Å²	72.4	7%	0.071	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-37.8	173.7	-161	-96.8	0	0	0	112.8	I796 F797 I808 F811 S812	I796-Y814 HydrophobicContact CD1-CD2 3.46Å; I796-Y814 VanDerWaalsContact CD1-CD2 3.46Å; I796-Y814 HydrophobicContact CD1-CE2 3.49Å; I796-Y814 VanDerWaalsContact CD1-CE2 3.49Å; I796-Y814 HydrophobicContact CD1-CG 4.06Å; I796-Y814 HydrophobicContact CG1-CD2 4.47Å; I796-Y814 HydrophobicContact CG1-CE2 4.03Å; I796-Y814 HydrophobicContact CG2-CE1 4.25Å; I796-Y814 HydrophobicContact CG2-CE2 4.36Å; F797-Y814 WeakPolarHBondContact CE1-OH 3.09Å; F797-Y814 HydrophobicContact CZ-CE1 4.07Å; F797-Y814 AromaticContact CZ-CZ 3.93Å; F797-Y814 WeakPolarHBondContact CZ-OH 3.4Å; I808-Y814 HydrophobicContact CD1-CD2 3.9Å; I808-Y814 HydrophobicContact CD1-CE2 4.18Å; F811-Y814 WeakPolarHBondContact O-CB 3.36Å; F811-Y814 PolarHBondContact O-N 2.89Å; F811-Y814 VanDerWaalsContact O-N 3.14Å; S812-Y814 PolarHBondContact O-N 3.03Å
815	I	65.5	Low	69.6	Low	30 Å²	30	70.5 Å²	70.5	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-80.6	-57.5	-172.3	-59.8	173.1	0	0	0	111	S812 G817 S841 M842 Y843 F1010	S812-I815 PolarHBondContact O-N 2.67Å; S812-I815 VanDerWaalsContact O-N 3.07Å; I815-G817 PolarHBondContact O-N 3.08Å; I815-S841 PolarHBondContact O-OG 2.77Å; I815-M842 VanDerWaalsContact CA-SD 3.55Å; I815-M842 HydrophobicContact CB-SD 3.86Å; I815-M842 HydrophobicContact CG1-SD 3.9Å; I815-M842 HydrophobicContact CG2-CG 4.48Å; I815-M842 HydrophobicContact CG2-SD 3.66Å; I815-M842 WeakPolarHBondContact O-CG 3.29Å; I815-Y843 HydrophobicContact CG2-CE2 4.17Å; I815-Y843 WeakPolarHBondContact O-CD2 3.45Å; I815-Y843 WeakPolarHBondContact O-CE2 3.38Å; I815-F1010 HydrophobicContact CD1-CE2 3.68Å; I815-F1010 HydrophobicContact CD1-CZ 3.98Å; I815-F1010 HydrophobicContact CG1-CE2 4.15Å; I815-F1010 HydrophobicContact CG1-CZ 3.92Å
816	T	69.5	Low	70.6	Confident	47 Å²	47	69.2 Å²	69.2	29%	0.288	34%	0.342	S	S	.	.	H	α-helix	trans	-68.6	-25.1	177	54.3	0	0	0	0	110.8	S812 W839 S841	S812-T816 PolarHBondContact O-N 2.76Å; S812-T816 PolarHBondContact O-OG1 3.19Å; T816-W839 PolarHBondContact O-NE1 2.77Å; T816-S841 PolarHBondContact O-OG 2.9Å
817	G	75.2	Confident	71.6	Confident	10 Å²	10	59.2 Å²	59.2	10%	0.103	30%	0.303	C	S	.	.			trans	80	168	-173.6	0	0	0	0	0	112.1	E813 I815 T840	E813-G817 CarbonylContact O-C 3.58Å; E813-G817 WeakPolarHBondContact O-CA 3.49Å; E813-G817 PolarHBondContact O-N 2.92Å; I815-G817 PolarHBondContact O-N 3.08Å; G817-T840 CarbonylContact C-O 3.51Å; G817-T840 WeakPolarHBondContact CA-O 3.34Å
818	K	82.9	Confident	73.1	Confident	82 Å²	82	52.4 Å²	52.4	36%	0.357	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.8	176.8	-173.7	-176.3	177.2	-161.4	0	109.2	E813 E820 T840	E813-K818 HydrophobicContact CG-CB 4.43Å; E813-K818 WeakPolarHBondContact OE1-CD 2.96Å; K818-E820 HydrophobicContact CD-CG 3.87Å; K818-E820 WeakPolarHBondContact CD-OE1 3.34Å; K818-E820 VanDerWaalsContact CE-OE1 3.26Å; K818-E820 WeakPolarHBondContact CE-OE1 3.37Å; K818-E820 HydrophobicContact CG-CG 3.93Å; K818-E820 IonicContact NZ-OE1 2.83Å; K818-E820 PolarHBondContact NZ-OE1 3.31Å; K818-T840 PolarHBondContact N-O 2.01Å; K818-T840 PolarHBondContact O-N 2.83Å
819	I	90	Very high	74.6	Confident	17 Å²	17	50.2 Å²	50.2	9%	0.087	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.6	170.1	-53.8	-173.3	0	0	0	107.8	H662 V664 I683 F837 L838 W839	H662-I819 HydrophobicContact CB-CD1 3.5Å; H662-I819 VanDerWaalsContact CB-CD1 3.5Å; V664-I819 HydrophobicContact CG2-CB 3.62Å; V664-I819 HydrophobicContact CG2-CD1 4.33Å; V664-I819 HydrophobicContact CG2-CG1 4.48Å; V664-I819 HydrophobicContact CG2-CG2 3.64Å; I683-I819 HydrophobicContact CD1-CD1 4.23Å; I683-I819 HydrophobicContact CD1-CG2 4.4Å; I819-F837 HydrophobicContact CG2-CB 3.73Å; I819-F837 HydrophobicContact CG2-CD1 3.94Å; I819-F837 HydrophobicContact CG2-CG 4.24Å; I819-L838 WeakPolarHBondContact CA-O 3.19Å; I819-W839 HydrophobicContact CD1-CB 4.44Å; I819-W839 HydrophobicContact CD1-CD2 4.41Å; I819-W839 HydrophobicContact CD1-CG 4.16Å; I819-W839 HydrophobicContact CG1-CB 3.9Å; I819-W839 HydrophobicContact CG1-CD2 4.35Å; I819-W839 HydrophobicContact CG1-CG 3.66Å
820	E	89.3	Confident	75.5	Confident	53 Å²	53	40.9 Å²	40.9	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.1	-177.9	-60.5	-169.4	148.3	0	0	111.3	K818 L838	K818-E820 HydrophobicContact CD-CG 3.87Å; K818-E820 WeakPolarHBondContact CD-OE1 3.34Å; K818-E820 VanDerWaalsContact CE-OE1 3.26Å; K818-E820 WeakPolarHBondContact CE-OE1 3.37Å; K818-E820 HydrophobicContact CG-CG 3.93Å; K818-E820 IonicContact NZ-OE1 2.83Å; K818-E820 PolarHBondContact NZ-OE1 3.31Å; E820-L838 PolarHBondContact N-O 3.11Å; E820-L838 PolarHBondContact O-N 3.49Å
821	L	90.6	Very high	76.1	Confident	21 Å²	21	38.8 Å²	38.8	11%	0.11	21%	0.21	C	C	.	.			trans	-83.8	157.1	171.8	-61.2	163.8	0	0	0	109.5	V664 F681 P823 P826 G828 F837	V664-L821 HydrophobicContact CG1-CD1 4.37Å; V664-L821 HydrophobicContact CG1-CD2 4.3Å; V664-L821 HydrophobicContact CG1-CG 4.06Å; F681-L821 HydrophobicContact CD2-CD2 4.34Å; F681-L821 HydrophobicContact CE2-CD1 4Å; F681-L821 HydrophobicContact CE2-CD2 3.97Å; F681-L821 HydrophobicContact CZ-CD2 4.27Å; L821-P823 WeakPolarHBondContact O-CD 3.43Å; L821-P826 WeakPolarHBondContact CD1-O 3.24Å; L821-G828 VanDerWaalsContact CD2-CA 3.5Å; L821-F837 HydrophobicContact CD2-CD1 3.75Å; L821-F837 HydrophobicContact CD2-CE1 3.42Å; L821-F837 VanDerWaalsContact CD2-CE1 3.42Å; L821-F837 HydrophobicContact CD2-CZ 4.33Å
822	P	88.6	Confident	76.9	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.013	20%	0.2	C	C	.	.			trans	-55.8	126.1	176.1	-26.1	35.9	0	0	0	111.3	A759 W761 L824 C825 H836	A759-P822 HydrophobicContact CB-CB 3.91Å; A759-P822 HydrophobicContact CB-CG 4.39Å; W761-P822 HydrophobicContact CH2-CB 4.28Å; W761-P822 HydrophobicContact CH2-CG 3.64Å; W761-P822 VanDerWaalsContact CZ2-CA 3.48Å; W761-P822 HydrophobicContact CZ2-CB 4.17Å; W761-P822 HydrophobicContact CZ2-CG 3.9Å; W761-P822 HydrophobicContact CZ3-CG 4.34Å; P822-L824 PolarHBondContact O-N 3.32Å; P822-L824 VanDerWaalsContact O-N 3.14Å; P822-C825 HydrophobicContact CB-CB 3.93Å; P822-C825 HydrophobicContact CG-CB 4.42Å; P822-C825 CarbonylContact O-C 3.54Å; P822-C825 PolarHBondContact O-N 3.29Å; P822-H836 VanDerWaalsContact CD-O 3.32Å; P822-H836 WeakPolarHBondContact CD-O 3.23Å; P822-H836 HydrophobicContact CG-CB 4.03Å
823	P	83.3	Confident	78	Confident	87 Å²	87	33.9 Å²	33.9	57%	0.565	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.9	177.7	-29.1	32.8	0	0	0	113.9	A759 L821	A759-P823 VanDerWaalsContact O-CD 3.31Å; A759-P823 WeakPolarHBondContact O-CD 3.27Å; L821-P823 WeakPolarHBondContact O-CD 3.43Å
824	L	79.8	Confident	79.3	Confident	103 Å²	103	31.5 Å²	31.5	54%	0.539	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.9	178.9	-65.4	174.3	0	0	0	113.5	K758 A759 P822	K758-L824 VanDerWaalsContact O-CD1 3.27Å; K758-L824 WeakPolarHBondContact O-CD1 3.19Å; A759-L824 PolarHBondContact O-N 2.76Å; P822-L824 PolarHBondContact O-N 3.32Å; P822-L824 VanDerWaalsContact O-N 3.14Å
825	C	81.3	Confident	80.8	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.034	18%	0.178	C	C	.	.			trans	-137.9	79	-175.9	-50.4	0	0	0	0	109.5	P822 D827 G828 T829 C830	P822-C825 HydrophobicContact CB-CB 3.93Å; P822-C825 HydrophobicContact CG-CB 4.42Å; P822-C825 CarbonylContact O-C 3.54Å; P822-C825 PolarHBondContact O-N 3.29Å; C825-D827 PolarHBondContact O-N 2.86Å; C825-G828 PolarHBondContact O-N 1.99Å; C825-T829 WeakPolarHBondContact CB-O 3.48Å; C825-C830 HydrophobicContact CB-CB 4.05Å; C825-C830 WeakPolarHBondContact CB-SG 3.07Å; C825-C830 WeakPolarHBondContact SG-CA 3.41Å; C825-C830 WeakPolarHBondContact SG-CB 3.26Å; C825-C830 CovalentContact SG-SG 2.03Å; C825-C830 PolarHBondContact SG-SG 3.46Å
826	P	74.7	Confident	82.1	Confident	47 Å²	47	31 Å²	31	31%	0.305	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.5	-170.7	27	-36	0	0	0	114.6	P667 L821 G828	P667-P826 HydrophobicContact CG-CB 3.89Å; L821-P826 WeakPolarHBondContact CD1-O 3.24Å; P826-G828 VanDerWaalsContact C-N 3.28Å
827	D	76.4	Confident	83.3	Confident	9 Å²	9	28.8 Å²	28.8	5%	0.048	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	6.6	174.7	-62	-33.9	0	0	0	113.1	N219 I222 H679 F681 C825 T829	N219-D827 WeakPolarHBondContact CB-OD2 3.46Å; N219-D827 PolarHBondContact ND2-OD2 2.95Å; I222-D827 HydrophobicContact CD1-CB 4.25Å; H679-D827 IonicContact CD2-OD1 2.71Å; H679-D827 PolarHBondContact CD2-OD1 2.92Å; H679-D827 IonicContact NE2-OD1 2.84Å; F681-D827 WeakPolarHBondContact CZ-O 3.17Å; C825-D827 PolarHBondContact O-N 2.86Å; D827-T829 PolarHBondContact O-N 3.28Å
828	G	83.3	Confident	84.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	81.7	-13.8	-179	0	0	0	0	0	114.3	L821 C825 P826 Y835 H836	L821-G828 VanDerWaalsContact CD2-CA 3.5Å; C825-G828 PolarHBondContact O-N 1.99Å; P826-G828 VanDerWaalsContact C-N 3.28Å; G828-Y835 CarbonylContact O-C 3.44Å; G828-Y835 VanDerWaalsContact O-CA 3.29Å; G828-Y835 WeakPolarHBondContact O-CA 3.25Å; G828-H836 PolarHBondContact O-N 2.8Å
829	T	84.7	Confident	84.6	Confident	4 Å²	4	24.6 Å²	24.6	3%	0.025	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-129.4	139.2	178.4	179.4	0	0	0	0	110.5	I222 C825 D827 D831 G832 T834 Y835	I222-T829 HydrophobicContact CD1-CG2 4.41Å; I222-T829 WeakPolarHBondContact CD1-O 3.32Å; C825-T829 WeakPolarHBondContact CB-O 3.48Å; D827-T829 PolarHBondContact O-N 3.28Å; T829-D831 PolarHBondContact OG1-N 3Å; T829-D831 PolarHBondContact OG1-OD1 3.4Å; T829-G832 WeakPolarHBondContact OG1-CA 3.44Å; T829-G832 PolarHBondContact OG1-N 2.87Å; T829-T834 WeakPolarHBondContact CA-O 3.35Å; T829-T834 WeakPolarHBondContact CB-O 3.18Å; T829-T834 PolarHBondContact OG1-O 2.8Å; T829-Y835 HydrophobicContact CG2-CD1 4.17Å; T829-Y835 HydrophobicContact CG2-CE1 3.62Å; T829-Y835 HydrophobicContact CG2-CE2 4.14Å
830	C	74.1	Confident	84.6	Confident	14 Å²	14	23.8 Å²	23.8	10%	0.095	14%	0.138	C	C	.	.	S	Bend	trans	-91.2	-30.9	172.4	-60.8	0	0	0	0	111.8	Y226 C825	Y226-C830 VanDerWaalsContact CD2-O 3.26Å; Y226-C830 WeakPolarHBondContact CD2-O 2.95Å; Y226-C830 VanDerWaalsContact CE2-C 3.49Å; Y226-C830 WeakPolarHBondContact CE2-O 3.31Å; C825-C830 HydrophobicContact CB-CB 4.05Å; C825-C830 WeakPolarHBondContact CB-SG 3.07Å; C825-C830 WeakPolarHBondContact SG-CA 3.41Å; C825-C830 WeakPolarHBondContact SG-CB 3.26Å; C825-C830 CovalentContact SG-SG 2.03Å; C825-C830 PolarHBondContact SG-SG 3.46Å
831	D	70.6	Confident	84.4	Confident	41 Å²	41	21.3 Å²	21.3	22%	0.219	13%	0.126	C	C	.	.	S	Bend	trans	-107.3	-5.6	-172.5	64.7	-4.5	0	0	0	114.6	Y226 T829 C833 T834	Y226-D831 HydrophobicContact CD1-CB 3.57Å; Y226-D831 HydrophobicContact CD2-CB 4.19Å; Y226-D831 HydrophobicContact CE1-CB 3.3Å; Y226-D831 VanDerWaalsContact CE2-CA 3.5Å; Y226-D831 HydrophobicContact CE2-CB 4.01Å; Y226-D831 HydrophobicContact CG-CB 3.99Å; T829-D831 PolarHBondContact OG1-N 3Å; T829-D831 PolarHBondContact OG1-OD1 3.4Å; D831-C833 VanDerWaalsContact C-N 3.29Å; D831-C833 PolarHBondContact O-N 3.04Å; D831-C833 PolarHBondContact OD1-N 3.37Å; D831-T834 WeakPolarHBondContact OD1-CA 3.39Å; D831-T834 WeakPolarHBondContact OD1-CB 3.21Å; D831-T834 PolarHBondContact OD1-N 3.48Å; D831-T834 VanDerWaalsContact OD2-CB 3.25Å; D831-T834 WeakPolarHBondContact OD2-CB 3.02Å; D831-T834 PolarHBondContact OD2-OG1 3.45Å
832	G	75.5	Confident	84	Confident	14 Å²	14	21.7 Å²	21.7	14%	0.144	13%	0.128	C	C	.	.	S	Bend	trans	86.5	-13.8	-176.2	0	0	0	0	0	114.7	T829	T829-G832 WeakPolarHBondContact OG1-CA 3.44Å; T829-G832 PolarHBondContact OG1-N 2.87Å
833	C	83.6	Confident	83.9	Confident	22 Å²	22	22.4 Å²	22.4	15%	0.149	13%	0.131	C	C	.	.	S	Bend	trans	-120.2	-32.2	-174.3	-57	0	0	0	0	113.3	N782 C783 R787 T788 D831	N782-C833 PolarHBondContact O-SG 2.73Å; N782-C833 VanDerWaalsContact O-SG 3.4Å; C783-C833 WeakPolarHBondContact CA-SG 3.4Å; C783-C833 HydrophobicContact CB-CB 3.91Å; C783-C833 WeakPolarHBondContact CB-SG 3.25Å; C783-C833 WeakPolarHBondContact SG-CA 3.47Å; C783-C833 WeakPolarHBondContact SG-CB 3.47Å; C783-C833 CovalentContact SG-SG 2.04Å; C783-C833 PolarHBondContact SG-SG 3.07Å; R787-C833 VanDerWaalsContact CA-O 3.28Å; R787-C833 WeakPolarHBondContact CA-O 3.3Å; R787-C833 WeakPolarHBondContact CB-O 3.11Å; T788-C833 PolarHBondContact N-O 2.99Å; D831-C833 VanDerWaalsContact C-N 3.29Å; D831-C833 PolarHBondContact O-N 3.04Å; D831-C833 PolarHBondContact OD1-N 3.37Å
834	T	87	Confident	84	Confident	35 Å²	35	18.4 Å²	18.4	22%	0.215	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.9	-179.6	-45.7	0	0	0	0	109.7	T788 T829 D831 H836	T788-T834 CarbonylContact O-C 3.53Å; T788-T834 VanDerWaalsContact O-CA 3.26Å; T788-T834 WeakPolarHBondContact O-CA 2.99Å; T829-T834 WeakPolarHBondContact CA-O 3.35Å; T829-T834 WeakPolarHBondContact CB-O 3.18Å; T829-T834 PolarHBondContact OG1-O 2.8Å; D831-T834 WeakPolarHBondContact OD1-CA 3.39Å; D831-T834 WeakPolarHBondContact OD1-CB 3.21Å; D831-T834 PolarHBondContact OD1-N 3.48Å; D831-T834 VanDerWaalsContact OD2-CB 3.25Å; D831-T834 WeakPolarHBondContact OD2-CB 3.02Å; D831-T834 PolarHBondContact OD2-OG1 3.45Å; T834-H836 WeakPolarHBondContact CG2-NE2 3.22Å
835	Y	91.4	Very high	84.3	Confident	10 Å²	10	13.6 Å²	13.6	4%	0.039	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.1	177.8	-69.8	-102.4	0	0	0	109.6	F681 L732 T788 T789 V790 G828 T829	F681-Y835 HydrophobicContact CE1-CD1 4.22Å; F681-Y835 HydrophobicContact CE1-CE1 4.19Å; L732-Y835 HydrophobicContact CD1-CD1 3.83Å; L732-Y835 HydrophobicContact CD1-CE1 3.97Å; L732-Y835 HydrophobicContact CD1-CG 4.17Å; L732-Y835 HydrophobicContact CD2-CD1 4.26Å; L732-Y835 HydrophobicContact CD2-CD2 4.02Å; L732-Y835 HydrophobicContact CD2-CE1 3.81Å; L732-Y835 HydrophobicContact CD2-CE2 3.6Å; L732-Y835 HydrophobicContact CD2-CG 4.35Å; L732-Y835 VanDerWaalsContact CD2-CZ 3.45Å; T788-Y835 PolarHBondContact O-N 2.98Å; T789-Y835 CarbonylContact C-O 3.57Å; T789-Y835 WeakPolarHBondContact CA-O 3.42Å; V790-Y835 PolarHBondContact N-O 2.03Å; G828-Y835 CarbonylContact O-C 3.44Å; G828-Y835 VanDerWaalsContact O-CA 3.29Å; G828-Y835 WeakPolarHBondContact O-CA 3.25Å; T829-Y835 HydrophobicContact CG2-CD1 4.17Å; T829-Y835 HydrophobicContact CG2-CE1 3.62Å; T829-Y835 HydrophobicContact CG2-CE2 4.14Å
836	H	92.2	Very high	84.6	Confident	29 Å²	29	14.9 Å²	14.9	13%	0.134	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.2	179.4	-64.1	-77.4	0	0	0	109.7	W761 V790 P822 G828 T834	W761-H836 HydrophobicContact CH2-CB 3.9Å; W761-H836 HydrophobicContact CZ3-CB 3.9Å; V790-H836 CarbonylContact O-C 3.49Å; V790-H836 WeakPolarHBondContact O-CA 3.28Å; P822-H836 VanDerWaalsContact CD-O 3.32Å; P822-H836 WeakPolarHBondContact CD-O 3.23Å; P822-H836 HydrophobicContact CG-CB 4.03Å; G828-H836 PolarHBondContact O-N 2.8Å; T834-H836 WeakPolarHBondContact CG2-NE2 3.22Å
837	F	94.7	Very high	85.2	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.6	174.6	-61.1	-90.4	0	0	0	108.8	F681 I683 T789 V790 I791 T792 I819 L821	F681-F837 HydrophobicContact CB-CE1 4.28Å; F681-F837 HydrophobicContact CB-CZ 4.4Å; F681-F837 HydrophobicContact CD1-CE1 4.09Å; F681-F837 AromaticContact CD1-CZ 3.71Å; F681-F837 HydrophobicContact CD1-CZ 3.71Å; F681-F837 HydrophobicContact CD2-CE1 4.43Å; F681-F837 HydrophobicContact CE1-CZ 4.14Å; F681-F837 HydrophobicContact CG-CE1 4.03Å; F681-F837 HydrophobicContact CG-CZ 4.09Å; I683-F837 HydrophobicContact CD1-CD1 3.99Å; I683-F837 HydrophobicContact CD1-CD2 4.47Å; I683-F837 HydrophobicContact CD1-CE1 4.03Å; I683-F837 HydrophobicContact CD1-CG 4.21Å; I683-F837 HydrophobicContact CD1-CZ 4.32Å; T789-F837 HydrophobicContact CG2-CD2 3.8Å; T789-F837 HydrophobicContact CG2-CE2 3.57Å; V790-F837 PolarHBondContact O-N 2.67Å; I791-F837 WeakPolarHBondContact CA-O 3.07Å; I791-F837 HydrophobicContact CG1-CB 4.12Å; I791-F837 HydrophobicContact CG1-CD2 4.04Å; I791-F837 HydrophobicContact CG1-CG 4.43Å; I791-F837 HydrophobicContact CG2-CB 4.47Å; T792-F837 PolarHBondContact N-O 3.22Å; I819-F837 HydrophobicContact CG2-CB 3.73Å; I819-F837 HydrophobicContact CG2-CD1 3.94Å; I819-F837 HydrophobicContact CG2-CG 4.24Å; L821-F837 HydrophobicContact CD2-CD1 3.75Å; L821-F837 HydrophobicContact CD2-CE1 3.42Å; L821-F837 VanDerWaalsContact CD2-CE1 3.42Å; L821-F837 HydrophobicContact CD2-CZ 4.33Å
838	L	93.1	Very high	85.6	Confident	3 Å²	3	13.7 Å²	13.7	2%	0.016	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.4	171.2	-178.9	67.3	0	0	0	108.3	W761 T792 R794 I819 E820	W761-L838 HydrophobicContact CB-CD2 4.45Å; W761-L838 HydrophobicContact CD2-CB 3.98Å; W761-L838 HydrophobicContact CD2-CD2 4.1Å; W761-L838 HydrophobicContact CE3-CB 4.3Å; W761-L838 HydrophobicContact CG-CD2 3.88Å; W761-L838 HydrophobicContact CH2-CB 3.83Å; W761-L838 HydrophobicContact CZ2-CB 3.46Å; W761-L838 VanDerWaalsContact CZ2-CB 3.46Å; W761-L838 HydrophobicContact CZ3-CB 4.23Å; T792-L838 HydrophobicContact CG2-CD1 3.96Å; R794-L838 HydrophobicContact CB-CD1 3.9Å; I819-L838 WeakPolarHBondContact CA-O 3.19Å; E820-L838 PolarHBondContact N-O 3.11Å; E820-L838 PolarHBondContact O-N 3.49Å
839	W	92.9	Very high	85.6	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	100.1	174.8	-177.3	16.8	0	0	0	109.6	V657 H662 M685 I791 T792 L793 R794 T816 I819	V657-W839 HydrophobicContact CB-CH2 4.26Å; V657-W839 HydrophobicContact CB-CZ2 4.49Å; V657-W839 HydrophobicContact CG1-CH2 3.69Å; V657-W839 HydrophobicContact CG1-CZ2 4.27Å; V657-W839 HydrophobicContact CG2-CH2 3.57Å; V657-W839 HydrophobicContact CG2-CZ2 3.45Å; V657-W839 VanDerWaalsContact CG2-CZ2 3.45Å; H662-W839 AromaticContact CE1-CE2 3.98Å; H662-W839 AromaticContact CE1-CZ2 3.59Å; H662-W839 AromaticContact NE2-CH2 3.86Å; H662-W839 AromaticContact NE2-CZ2 3.81Å; M685-W839 HydrophobicContact CG-CZ3 4.49Å; I791-W839 HydrophobicContact CG2-CB 4.2Å; I791-W839 HydrophobicContact CG2-CE3 4.45Å; T792-W839 PolarHBondContact O-N 3.33Å; L793-W839 CarbonylContact C-O 3.6Å; L793-W839 WeakPolarHBondContact CA-O 3.48Å; L793-W839 HydrophobicContact CB-CE3 4.11Å; L793-W839 HydrophobicContact CD1-CB 4.41Å; L793-W839 HydrophobicContact CD1-CD2 3.62Å; L793-W839 HydrophobicContact CD1-CE3 3.65Å; L793-W839 HydrophobicContact CD1-CG 3.98Å; L793-W839 HydrophobicContact CD1-CH2 4.5Å; L793-W839 HydrophobicContact CD1-CZ2 4.49Å; L793-W839 HydrophobicContact CD1-CZ3 4.1Å; L793-W839 HydrophobicContact CD2-CE3 4.41Å; L793-W839 HydrophobicContact CD2-CZ3 4.26Å; L793-W839 HydrophobicContact CG-CE3 4.26Å; R794-W839 PolarHBondContact N-O 2.84Å; T816-W839 PolarHBondContact O-NE1 2.77Å; I819-W839 HydrophobicContact CD1-CB 4.44Å; I819-W839 HydrophobicContact CD1-CD2 4.41Å; I819-W839 HydrophobicContact CD1-CG 4.16Å; I819-W839 HydrophobicContact CG1-CB 3.9Å; I819-W839 HydrophobicContact CG1-CD2 4.35Å; I819-W839 HydrophobicContact CG1-CG 3.66Å
840	T	88.5	Confident	85.5	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.8	176.8	-56.6	0	0	0	0	108.8	R794 I796 G817 K818	R794-T840 WeakPolarHBondContact O-CA 3.34Å; I796-T840 HydrophobicContact CB-CG2 3.92Å; I796-T840 HydrophobicContact CG1-CG2 3.93Å; G817-T840 CarbonylContact C-O 3.51Å; G817-T840 WeakPolarHBondContact CA-O 3.34Å; K818-T840 PolarHBondContact N-O 2.01Å; K818-T840 PolarHBondContact O-N 2.83Å
841	S	86.2	Confident	85.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.6	-173.3	-173.6	0	0	0	0	111.9	R794 I796 I815 T816 Y843 G844	R794-S841 PolarHBondContact O-N 3.4Å; I796-S841 PolarHBondContact N-O 3.29Å; I815-S841 PolarHBondContact O-OG 2.77Å; T816-S841 PolarHBondContact O-OG 2.9Å; S841-Y843 PolarHBondContact O-N 3.14Å; S841-Y843 WeakPolarHBondContact OG-CD2 3.26Å; S841-Y843 PolarHBondContact OG-N 2.79Å; S841-G844 PolarHBondContact O-N 2.02Å; S841-G844 VanDerWaalsContact O-N 3.12Å
842	M	81.4	Confident	86.4	Confident	29 Å²	29	30.4 Å²	30.4	14%	0.143	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64.9	-25.3	166.4	63	175.8	-86.3	0	0	112.7	I815 G844 C845	I815-M842 VanDerWaalsContact CA-SD 3.55Å; I815-M842 HydrophobicContact CB-SD 3.86Å; I815-M842 HydrophobicContact CG1-SD 3.9Å; I815-M842 HydrophobicContact CG2-CG 4.48Å; I815-M842 HydrophobicContact CG2-SD 3.66Å; I815-M842 WeakPolarHBondContact O-CG 3.29Å; M842-G844 PolarHBondContact O-N 3.24Å; M842-C845 WeakPolarHBondContact O-CB 3.35Å; M842-C845 PolarHBondContact O-N 3.4Å
843	Y	86.3	Confident	86.8	Confident	18 Å²	18	30.7 Å²	30.7	7%	0.071	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67.5	-17.7	173.2	-67.8	-75	0	0	0	112.7	D656 V657 I815 S841 C845	D656-Y843 HydrophobicContact CB-CE1 4.18Å; V657-Y843 HydrophobicContact CB-CD1 4.46Å; V657-Y843 HydrophobicContact CB-CD2 4.04Å; V657-Y843 HydrophobicContact CB-CE2 4.1Å; V657-Y843 HydrophobicContact CB-CG 4.24Å; V657-Y843 HydrophobicContact CG1-CD1 4.13Å; V657-Y843 HydrophobicContact CG1-CD2 4.17Å; V657-Y843 HydrophobicContact CG1-CG 3.9Å; V657-Y843 HydrophobicContact CG2-CD2 4.05Å; V657-Y843 HydrophobicContact CG2-CE2 4.2Å; I815-Y843 HydrophobicContact CG2-CE2 4.17Å; I815-Y843 WeakPolarHBondContact O-CD2 3.45Å; I815-Y843 WeakPolarHBondContact O-CE2 3.38Å; S841-Y843 PolarHBondContact O-N 3.14Å; S841-Y843 WeakPolarHBondContact OG-CD2 3.26Å; S841-Y843 PolarHBondContact OG-N 2.79Å; Y843-C845 VanDerWaalsContact C-N 3.26Å
844	G	86.8	Confident	86.7	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.021	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-80.7	-3.1	171.4	0	0	0	0	0	113.9	Y652 C795 S841 M842	Y652-G844 WeakPolarHBondContact CE1-O 3.49Å; C795-G844 WeakPolarHBondContact CB-O 3.27Å; C795-G844 PolarHBondContact N-O 3.31Å; S841-G844 PolarHBondContact O-N 2.02Å; S841-G844 VanDerWaalsContact O-N 3.12Å; M842-G844 PolarHBondContact O-N 3.24Å
845	C	86.2	Confident	86.4	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.02	19%	0.189	C	C	.	.	S	Bend	trans	-90.9	137.6	174.5	-50.7	0	0	0	0	110.3	C795 M842 Y843	C795-C845 WeakPolarHBondContact CA-SG 3.37Å; C795-C845 HydrophobicContact CB-CB 3.88Å; C795-C845 WeakPolarHBondContact CB-SG 3.18Å; C795-C845 VanDerWaalsContact SG-CA 3.59Å; C795-C845 WeakPolarHBondContact SG-CB 3.48Å; C795-C845 CovalentContact SG-SG 2.04Å; C795-C845 PolarHBondContact SG-SG 3.36Å; M842-C845 WeakPolarHBondContact O-CB 3.35Å; M842-C845 PolarHBondContact O-N 3.4Å; Y843-C845 VanDerWaalsContact C-N 3.26Å
846	R	86.4	Confident	86	Confident	32 Å²	32	43.2 Å²	43.2	12%	0.121	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	157.7	178	70.7	171.3	-171	-122.3	2.5	111.4	F650 Q651 Y652 D852 C875 R876	F650-R846 HydrophobicContact CB-CB 4.04Å; F650-R846 HydrophobicContact CG-CB 4.44Å; Q651-R846 CarbonylContact O-C 3.4Å; Y652-R846 HydrophobicContact CE1-CB 4.21Å; R846-D852 IonicContact CZ-OD1 2.85Å; R846-D852 IonicContact NE-OD2 3.28Å; R846-D852 IonicContact NH2-OD1 3.91Å; R846-D852 PolarHBondContact NH2-OD1 2.82Å; R846-D852 IonicContact NH2-OD2 3.92Å; R846-C875 HydrophobicContact CG-CB 3.91Å; R846-C875 CarbonylContact O-C 3.49Å; R846-C875 WeakPolarHBondContact O-CA 3.5Å; R846-C875 WeakPolarHBondContact O-CB 3.04Å; R846-R876 PolarHBondContact O-N 3.25Å
847	M	87.2	Confident	85.6	Confident	19 Å²	19	46.3 Å²	46.3	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.2	167.6	-58.5	-56.1	-64.9	0	0	110	Q651 N653 R876 P878	Q651-M847 HydrophobicContact CB-CB 4.37Å; Q651-M847 HydrophobicContact CG-CG 4.4Å; Q651-M847 WeakPolarHBondContact O-CB 3.49Å; Q651-M847 WeakPolarHBondContact O-CG 3.5Å; Q651-M847 PolarHBondContact O-N 2.82Å; N653-M847 HydrophobicContact CB-SD 4.1Å; M847-R876 CarbonylContact C-O 3.54Å; M847-R876 WeakPolarHBondContact CA-O 3.41Å; M847-R876 HydrophobicContact SD-CB 4.26Å; M847-P878 HydrophobicContact CE-CB 3.92Å; M847-P878 HydrophobicContact CE-CG 3.69Å
848	C	84.6	Confident	84.8	Confident	12 Å²	12	47.7 Å²	47.7	8%	0.081	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70	129	179.1	-60.5	0	0	0	0	111.7	Y853 C875 R876	C848-Y853 HydrophobicContact CB-CE1 4.32Å; C848-Y853 HydrophobicContact CB-CE2 3.85Å; C848-Y853 WeakPolarHBondContact CB-OH 3.25Å; C848-C875 WeakPolarHBondContact CA-SG 3.34Å; C848-C875 HydrophobicContact CB-CB 3.9Å; C848-C875 WeakPolarHBondContact CB-SG 3.4Å; C848-C875 WeakPolarHBondContact SG-CB 3.04Å; C848-C875 PolarHBondContact SG-O 2.98Å; C848-C875 CovalentContact SG-SG 2.03Å; C848-C875 PolarHBondContact SG-SG 3.22Å; C848-R876 PolarHBondContact N-O 2.85Å; C848-R876 PolarHBondContact SG-O 3.17Å
849	Q	84.7	Confident	84.2	Confident	81 Å²	81	55.7 Å²	55.7	38%	0.379	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-85.9	168	171.1	-65.3	-175.4	-17.5	0	0	111.5	G649 D851 D852 Y853	G649-Q849 PolarHBondContact O-NE2 2.78Å; Q849-D851 VanDerWaalsContact C-N 3.29Å; Q849-D851 PolarHBondContact O-N 3.03Å; Q849-D852 PolarHBondContact N-OD2 2.74Å; Q849-D852 WeakPolarHBondContact O-CB 3.39Å; Q849-D852 PolarHBondContact O-N 3.45Å; Q849-D852 VanDerWaalsContact O-N 3.14Å; Q849-Y853 WeakPolarHBondContact O-CD2 3.45Å; Q849-Y853 WeakPolarHBondContact O-CE2 3.45Å
850	E	82.8	Confident	83.6	Confident	135 Å²	135	58.8 Å²	58.8	63%	0.631	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.7	-34.5	-176.7	-57.3	-147.8	126.2	0	0	113.5	D852 R881	E850-D852 VanDerWaalsContact C-N 3.31Å; E850-R881 IonicContact OE1-CZ 3.05Å; E850-R881 IonicContact OE1-NH1 3.58Å; E850-R881 PolarHBondContact OE1-NH1 3.31Å; E850-R881 IonicContact OE1-NH2 2.93Å; E850-R881 PolarHBondContact OE1-NH2 3.14Å; E850-R881 VanDerWaalsContact OE1-NH2 3.07Å
851	D	81.4	Confident	83.2	Confident	159 Å²	159	61.7 Å²	61.7	85%	0.85	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-76.5	-15.6	178.3	-66	-32.6	0	0	0	113.3	Q849 Y853	Q849-D851 VanDerWaalsContact C-N 3.29Å; Q849-D851 PolarHBondContact O-N 3.03Å; D851-Y853 VanDerWaalsContact C-N 3.28Å; D851-Y853 PolarHBondContact O-N 3.14Å
852	D	82.4	Confident	82.8	Confident	34 Å²	34	71.8 Å²	71.8	18%	0.182	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-71.9	-24.1	179.4	-72.1	-40.7	0	0	0	111.6	R846 Q849 E850 P872	R846-D852 IonicContact CZ-OD1 2.85Å; R846-D852 IonicContact NE-OD2 3.28Å; R846-D852 IonicContact NH2-OD1 3.91Å; R846-D852 PolarHBondContact NH2-OD1 2.82Å; R846-D852 IonicContact NH2-OD2 3.92Å; Q849-D852 PolarHBondContact N-OD2 2.74Å; Q849-D852 WeakPolarHBondContact O-CB 3.39Å; Q849-D852 PolarHBondContact O-N 3.45Å; Q849-D852 VanDerWaalsContact O-N 3.14Å; E850-D852 VanDerWaalsContact C-N 3.31Å; D852-P872 HydrophobicContact CB-CG 4.06Å; D852-P872 WeakPolarHBondContact O-CD 3.47Å
853	Y	83.1	Confident	82.7	Confident	20 Å²	20	71 Å²	71	8%	0.078	36%	0.357	C	S	.	.			trans	-81	127	-173	-63.2	-89.4	0	0	0	112.9	C848 Q849 D851 K855 L869 R870 A871 V877 L883	C848-Y853 HydrophobicContact CB-CE1 4.32Å; C848-Y853 HydrophobicContact CB-CE2 3.85Å; C848-Y853 WeakPolarHBondContact CB-OH 3.25Å; Q849-Y853 WeakPolarHBondContact O-CD2 3.45Å; Q849-Y853 WeakPolarHBondContact O-CE2 3.45Å; D851-Y853 VanDerWaalsContact C-N 3.28Å; D851-Y853 PolarHBondContact O-N 3.14Å; Y853-K855 PolarHBondContact O-N 2.82Å; Y853-L869 HydrophobicContact CD1-CB 3.91Å; Y853-L869 HydrophobicContact CG-CB 4.34Å; Y853-R870 WeakPolarHBondContact CA-O 3.18Å; Y853-A871 HydrophobicContact CD1-CB 4.02Å; Y853-A871 HydrophobicContact CE1-CB 3.83Å; Y853-V877 HydrophobicContact CE1-CG2 4.12Å; Y853-L883 HydrophobicContact CE1-CD2 4.08Å
854	E	80.9	Confident	82.5	Confident	123 Å²	123	74.6 Å²	74.6	58%	0.575	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.3	166.6	-68.1	-176.9	166.5	0	0	110.1	I856 R870	E854-I856 PolarHBondContact O-N 2.88Å; E854-R870 HydrophobicContact CB-CB 4.3Å; E854-R870 PolarHBondContact N-O 3.28Å; E854-R870 PolarHBondContact O-N 3.3Å
855	K	81.6	Confident	82.3	Confident	120 Å²	120	77.7 Å²	77.7	52%	0.522	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.9	175.9	-67.5	-173.6	176	-168.4	0	110.6	Y853 L857 V867 L869 E887	Y853-K855 PolarHBondContact O-N 2.82Å; K855-L857 HydrophobicContact CB-CD2 4.48Å; K855-V867 HydrophobicContact CB-CG1 3.95Å; K855-V867 HydrophobicContact CD-CG1 4.33Å; K855-V867 HydrophobicContact CG-CG1 4.12Å; K855-L869 HydrophobicContact CG-CD2 3.88Å; K855-E887 IonicContact NZ-OE1 2.77Å; K855-E887 PolarHBondContact NZ-OE1 3.41Å
856	I	81.8	Confident	82.1	Confident	88 Å²	88	83.1 Å²	83.1	45%	0.451	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112	169.3	-56.3	172.2	0	0	0	107.6	E854 V867 H868 R870	E854-I856 PolarHBondContact O-N 2.88Å; I856-V867 WeakPolarHBondContact O-CA 3.44Å; I856-H868 HydrophobicContact CB-CB 4.27Å; I856-H868 PolarHBondContact N-O 2.83Å; I856-H868 PolarHBondContact O-N 3.26Å; I856-R870 HydrophobicContact CD1-CB 4.06Å
857	L	83.7	Confident	81.8	Confident	94 Å²	94	81.6 Å²	81.6	49%	0.492	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.2	-177.6	-55.6	176.7	0	0	0	109.7	K855 R865 V867	K855-L857 HydrophobicContact CB-CD2 4.48Å; L857-R865 VanDerWaalsContact CD2-CZ 3.5Å; L857-V867 HydrophobicContact CD2-CG1 4.24Å; L857-V867 HydrophobicContact CD2-CG2 3.93Å
858	G	78.2	Confident	81.5	Confident	29 Å²	29	84.5 Å²	84.5	30%	0.299	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	177.5	167	0	0	0	0	0	112.4	Q866	G858-Q866 WeakPolarHBondContact CA-O 3.27Å; G858-Q866 PolarHBondContact N-O 2.75Å
859	E	81	Confident	81.1	Confident	171 Å²	171	84.6 Å²	84.6	80%	0.799	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	151.4	176.6	59.4	179.9	-171.7	0	0	112.9	R865	E859-R865 WeakPolarHBondContact O-CA 3.06Å; E859-R865 VanDerWaalsContact O-CB 3.24Å; E859-R865 WeakPolarHBondContact O-CB 3.36Å
860	C	81.5	Confident	80.8	Confident	65 Å²	65	85.7 Å²	85.7	44%	0.439	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.9	178.3	-177	0	0	0	0	109.9	C889	C860-C889 VanDerWaalsContact CA-SG 3.56Å; C860-C889 HydrophobicContact CB-CB 3.87Å; C860-C889 WeakPolarHBondContact CB-SG 3.34Å; C860-C889 WeakPolarHBondContact SG-CB 3.33Å; C860-C889 CovalentContact SG-SG 2.02Å; C860-C889 PolarHBondContact SG-SG 3.24Å
861	S	78.4	Confident	80.6	Confident	61 Å²	61	80.2 Å²	80.2	43%	0.427	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.5	178.7	-171.8	0	0	0	0	109.8	G863 H864	S861-G863 VanDerWaalsContact C-N 3.27Å; S861-G863 PolarHBondContact O-N 2.85Å; S861-G863 VanDerWaalsContact O-N 3.16Å; S861-H864 CarbonylContact C-O 3.6Å; S861-H864 PolarHBondContact N-O 2.87Å; S861-H864 PolarHBondContact O-N 3.37Å
862	Y	79.4	Confident	80.3	Confident	213 Å²	213	74.8 Å²	74.8	84%	0.835	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38	179.3	-55.7	-79	0	0	0	115.1	H864	Y862-H864 VanDerWaalsContact C-N 3.27Å; Y862-H864 PolarHBondContact O-N 2.99Å
863	G	79.2	Confident	79.7	Confident	13 Å²	13	77.8 Å²	77.8	13%	0.134	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	4.1	178	0	0	0	0	0	114.7	S861 R888 C889	S861-G863 VanDerWaalsContact C-N 3.27Å; S861-G863 PolarHBondContact O-N 2.85Å; S861-G863 VanDerWaalsContact O-N 3.16Å; G863-R888 WeakPolarHBondContact O-CA 3.44Å; G863-C889 WeakPolarHBondContact CA-O 3.38Å; G863-C889 PolarHBondContact O-N 3.2Å
864	H	82	Confident	79.2	Confident	93 Å²	93	81.2 Å²	81.2	43%	0.431	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.8	173.6	-68.4	-81.6	0	0	0	110.3	S861 Y862 I886 E887 C889	S861-H864 CarbonylContact C-O 3.6Å; S861-H864 PolarHBondContact N-O 2.87Å; S861-H864 PolarHBondContact O-N 3.37Å; Y862-H864 VanDerWaalsContact C-N 3.27Å; Y862-H864 PolarHBondContact O-N 2.99Å; H864-I886 HydrophobicContact CB-CG2 3.84Å; H864-E887 WeakPolarHBondContact CA-O 3.32Å; H864-C889 PolarHBondContact N-SG 2.73Å; H864-C889 VanDerWaalsContact N-SG 3.44Å
865	R	81.4	Confident	79.3	Confident	66 Å²	66	75.9 Å²	75.9	25%	0.249	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.3	171.8	64.5	177	-178.2	-169.8	2.8	110.1	L857 E859 V867 I886 E887 C889	L857-R865 VanDerWaalsContact CD2-CZ 3.5Å; E859-R865 WeakPolarHBondContact O-CA 3.06Å; E859-R865 VanDerWaalsContact O-CB 3.24Å; E859-R865 WeakPolarHBondContact O-CB 3.36Å; R865-V867 HydrophobicContact CG-CG2 4.17Å; R865-I886 WeakPolarHBondContact O-CA 3.39Å; R865-E887 HydrophobicContact CG-CB 4.21Å; R865-E887 IonicContact CZ-OE2 2.6Å; R865-E887 PolarHBondContact N-O 2.7Å; R865-E887 IonicContact NE-OE2 2.69Å; R865-E887 PolarHBondContact NE-OE2 2.86Å; R865-E887 IonicContact NH2-OE2 3.68Å; R865-E887 PolarHBondContact NH2-OE2 3.1Å; R865-E887 PolarHBondContact O-N 2.76Å; R865-C889 HydrophobicContact CB-CB 4.41Å; R865-C889 HydrophobicContact CG-CB 4.15Å
866	Q	82	Confident	79.4	Confident	118 Å²	118	71.9 Å²	71.9	55%	0.551	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.5	169.2	-70.4	-173.9	-7.6	0	0	109.3	G858	G858-Q866 WeakPolarHBondContact CA-O 3.27Å; G858-Q866 PolarHBondContact N-O 2.75Å
867	V	80	Confident	79.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.9	176.7	179.3	0	0	0	0	107.2	K855 I856 L857 R865 T884 L885 E887	K855-V867 HydrophobicContact CB-CG1 3.95Å; K855-V867 HydrophobicContact CD-CG1 4.33Å; K855-V867 HydrophobicContact CG-CG1 4.12Å; I856-V867 WeakPolarHBondContact O-CA 3.44Å; L857-V867 HydrophobicContact CD2-CG1 4.24Å; L857-V867 HydrophobicContact CD2-CG2 3.93Å; R865-V867 HydrophobicContact CG-CG2 4.17Å; V867-T884 WeakPolarHBondContact O-CA 3.4Å; V867-L885 HydrophobicContact CB-CB 4.38Å; V867-L885 PolarHBondContact N-O 2.91Å; V867-L885 PolarHBondContact O-N 3.12Å; V867-E887 HydrophobicContact CG2-CB 3.92Å; V867-E887 HydrophobicContact CG2-CG 3.84Å
868	H	80.5	Confident	79.1	Confident	79 Å²	79	67.5 Å²	67.5	37%	0.366	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.7	175.1	-60	-86.8	0	0	0	108.6	I856	I856-H868 HydrophobicContact CB-CB 4.27Å; I856-H868 PolarHBondContact N-O 2.83Å; I856-H868 PolarHBondContact O-N 3.26Å
869	L	77.2	Confident	78.8	Confident	15 Å²	15	74.3 Å²	74.3	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.8	175.1	-63.6	177.8	0	0	0	108.9	Y853 K855 L883 L885	Y853-L869 HydrophobicContact CD1-CB 3.91Å; Y853-L869 HydrophobicContact CG-CB 4.34Å; K855-L869 HydrophobicContact CG-CD2 3.88Å; L869-L883 HydrophobicContact CB-CD2 4.33Å; L869-L883 PolarHBondContact N-O 2.97Å; L869-L885 HydrophobicContact CD1-CD1 3.72Å; L869-L885 HydrophobicContact CD1-CG 4.08Å; L869-L885 HydrophobicContact CD2-CD1 4.16Å; L869-L885 HydrophobicContact CG-CD1 4.1Å; L869-L885 HydrophobicContact CG-CG 4.42Å
870	R	77.7	Confident	78.5	Confident	103 Å²	103	73.6 Å²	73.6	39%	0.389	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.3	172.2	-177	-174.8	-172.5	-174.3	3	109	Y853 E854 I856	Y853-R870 WeakPolarHBondContact CA-O 3.18Å; E854-R870 HydrophobicContact CB-CB 4.3Å; E854-R870 PolarHBondContact N-O 3.28Å; E854-R870 PolarHBondContact O-N 3.3Å; I856-R870 HydrophobicContact CD1-CB 4.06Å
871	A	78.4	Confident	78.2	Confident	20 Å²	20	74.6 Å²	74.6	17%	0.165	36%	0.355	C	S	.	.			trans	-79.4	145.1	172.6	0	0	0	0	0	111	Y853 V877	Y853-A871 HydrophobicContact CD1-CB 4.02Å; Y853-A871 HydrophobicContact CE1-CB 3.83Å; A871-V877 HydrophobicContact CB-CG2 3.54Å
872	P	76.6	Confident	78.2	Confident	46 Å²	46	77.2 Å²	77.2	30%	0.299	36%	0.364	S	S	.	.			trans	-72	159.7	170.9	29.3	-31.9	0	0	0	110.4	D852 E874 C875	D852-P872 HydrophobicContact CB-CG 4.06Å; D852-P872 WeakPolarHBondContact O-CD 3.47Å; P872-E874 PolarHBondContact O-N 2.87Å; P872-C875 VanDerWaalsContact CD-SG 3.54Å; P872-C875 VanDerWaalsContact CG-SG 3.52Å
873	W	68.5	Low	78.2	Confident	96 Å²	96	69.1 Å²	69.1	36%	0.364	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.1	-179.5	-64.6	-15.4	0	0	0	113.2	F797 F801 C875 P1014	F797-W873 HydrophobicContact CB-CB 4.12Å; F797-W873 WeakPolarHBondContact CB-O 3.48Å; F797-W873 HydrophobicContact CD1-CB 3.88Å; F797-W873 HydrophobicContact CD1-CG 4.4Å; F797-W873 WeakPolarHBondContact CD2-O 3.24Å; F797-W873 HydrophobicContact CE1-CB 4.41Å; F797-W873 WeakPolarHBondContact CE2-O 3.24Å; F797-W873 HydrophobicContact CG-CB 4.03Å; F797-W873 WeakPolarHBondContact CG-O 3.01Å; F801-W873 HydrophobicContact CB-CZ3 4.35Å; F801-W873 HydrophobicContact CD1-CH2 4.13Å; F801-W873 HydrophobicContact CD1-CZ3 4.09Å; F801-W873 HydrophobicContact CE1-CH2 4.26Å; F801-W873 HydrophobicContact CG-CE3 4.45Å; F801-W873 HydrophobicContact CG-CZ3 4.1Å; W873-C875 PolarHBondContact O-N 3Å; W873-P1014 HydrophobicContact CG-CG 4.48Å
874	E	73.6	Confident	78.2	Confident	93 Å²	93	72.5 Å²	72.5	44%	0.435	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.4	-174.2	-62.1	168.5	-168.5	0	0	113.5	P872	P872-E874 PolarHBondContact O-N 2.87Å
875	C	82	Confident	78.2	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.068	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.2	-179.4	73.4	0	0	0	0	113.4	R846 C848 P872 W873	R846-C875 HydrophobicContact CG-CB 3.91Å; R846-C875 CarbonylContact O-C 3.49Å; R846-C875 WeakPolarHBondContact O-CA 3.5Å; R846-C875 WeakPolarHBondContact O-CB 3.04Å; C848-C875 WeakPolarHBondContact CA-SG 3.34Å; C848-C875 HydrophobicContact CB-CB 3.9Å; C848-C875 WeakPolarHBondContact CB-SG 3.4Å; C848-C875 WeakPolarHBondContact SG-CB 3.04Å; C848-C875 PolarHBondContact SG-O 2.98Å; C848-C875 CovalentContact SG-SG 2.03Å; C848-C875 PolarHBondContact SG-SG 3.22Å; P872-C875 VanDerWaalsContact CD-SG 3.54Å; P872-C875 VanDerWaalsContact CG-SG 3.52Å; W873-C875 PolarHBondContact O-N 3Å
876	R	84.4	Confident	78.3	Confident	37 Å²	37	73.8 Å²	73.8	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.4	178.6	-173.5	169.7	62.1	140.4	-4.2	111.3	N653 R846 M847 C848	N653-R876 PolarHBondContact O-NH2 3.18Å; R846-R876 PolarHBondContact O-N 3.25Å; M847-R876 CarbonylContact C-O 3.54Å; M847-R876 WeakPolarHBondContact CA-O 3.41Å; M847-R876 HydrophobicContact SD-CB 4.26Å; C848-R876 PolarHBondContact N-O 2.85Å; C848-R876 PolarHBondContact SG-O 3.17Å
877	V	80.8	Confident	78.4	Confident	42 Å²	42	70.5 Å²	70.5	26%	0.255	35%	0.351	S	S	.	.			trans	-76.1	130.6	177.3	-177.2	0	0	0	0	109.6	Y853 A871 R881 L883	Y853-V877 HydrophobicContact CE1-CG2 4.12Å; A871-V877 HydrophobicContact CB-CG2 3.54Å; V877-R881 HydrophobicContact CG1-CB 3.78Å; V877-R881 HydrophobicContact CG1-CG 4.22Å; V877-L883 HydrophobicContact CG1-CD2 4.05Å; V877-L883 HydrophobicContact CG2-CD2 4.39Å
878	P	78.3	Confident	78.5	Confident	47 Å²	47	81 Å²	81	31%	0.305	39%	0.391	S	S	.	.			trans	-58.6	142.2	170.9	-20.3	30.3	0	0	0	111.8	M847 D880 R881	M847-P878 HydrophobicContact CE-CB 3.92Å; M847-P878 HydrophobicContact CE-CG 3.69Å; P878-D880 PolarHBondContact O-N 3.41Å; P878-D880 VanDerWaalsContact O-N 3.11Å; P878-R881 HydrophobicContact CB-CB 4.43Å; P878-R881 WeakPolarHBondContact O-CB 3.49Å; P878-R881 PolarHBondContact O-N 3.08Å
879	Q	72.4	Confident	78.5	Confident	173 Å²	173	77.9 Å²	77.9	81%	0.808	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.1	-176.6	-70.1	-180	-4.5	0	0	113.2
880	D	74.3	Confident	78.5	Confident	155 Å²	155	82.2 Å²	82.2	83%	0.829	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.4	-177.4	-55.7	-43.7	0	0	0	114.4	P878 N882	P878-D880 PolarHBondContact O-N 3.41Å; P878-D880 VanDerWaalsContact O-N 3.11Å; D880-N882 PolarHBondContact O-N 2.84Å
881	R	75.7	Confident	78	Confident	86 Å²	86	83.5 Å²	83.5	33%	0.325	42%	0.42	S	S	.	.			trans	-82.1	121.6	-175.4	-171.6	71.4	174	-164.5	-0.7	111.3	E850 V877 P878 L883	E850-R881 IonicContact OE1-CZ 3.05Å; E850-R881 IonicContact OE1-NH1 3.58Å; E850-R881 PolarHBondContact OE1-NH1 3.31Å; E850-R881 IonicContact OE1-NH2 2.93Å; E850-R881 PolarHBondContact OE1-NH2 3.14Å; E850-R881 VanDerWaalsContact OE1-NH2 3.07Å; V877-R881 HydrophobicContact CG1-CB 3.78Å; V877-R881 HydrophobicContact CG1-CG 4.22Å; P878-R881 HydrophobicContact CB-CB 4.43Å; P878-R881 WeakPolarHBondContact O-CB 3.49Å; P878-R881 PolarHBondContact O-N 3.08Å; R881-L883 PolarHBondContact O-N 2.97Å
882	N	77.9	Confident	77.5	Confident	117 Å²	117	86 Å²	86	63%	0.626	43%	0.431	S	S	*	.			trans	-73.7	119.5	169.3	-74.2	-25.1	0	0	0	111.1	D880 T884	D880-N882 PolarHBondContact O-N 2.84Å; N882-T884 VanDerWaalsContact C-N 3.28Å; N882-T884 PolarHBondContact O-N 2.86Å
883	L	79.1	Confident	77.3	Confident	43 Å²	43	86.2 Å²	86.2	23%	0.225	43%	0.433	C	S	.	.	S	Bend	trans	-82.9	-2.7	177.3	-65.3	174.6	0	0	0	113.7	Y853 L869 V877 R881	Y853-L883 HydrophobicContact CE1-CD2 4.08Å; L869-L883 HydrophobicContact CB-CD2 4.33Å; L869-L883 PolarHBondContact N-O 2.97Å; V877-L883 HydrophobicContact CG1-CD2 4.05Å; V877-L883 HydrophobicContact CG2-CD2 4.39Å; R881-L883 PolarHBondContact O-N 2.97Å
884	T	79.7	Confident	77.5	Confident	84 Å²	84	92.6 Å²	92.6	52%	0.515	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.9	177.3	54.6	0	0	0	0	109.3	V867 N882	V867-T884 WeakPolarHBondContact O-CA 3.4Å; N882-T884 VanDerWaalsContact C-N 3.28Å; N882-T884 PolarHBondContact O-N 2.86Å
885	L	82.1	Confident	77.7	Confident	64 Å²	64	92.3 Å²	92.3	34%	0.335	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.2	176.9	-61.3	174.8	0	0	0	109.5	V867 L869	V867-L885 HydrophobicContact CB-CB 4.38Å; V867-L885 PolarHBondContact N-O 2.91Å; V867-L885 PolarHBondContact O-N 3.12Å; L869-L885 HydrophobicContact CD1-CD1 3.72Å; L869-L885 HydrophobicContact CD1-CG 4.08Å; L869-L885 HydrophobicContact CD2-CD1 4.16Å; L869-L885 HydrophobicContact CG-CD1 4.1Å; L869-L885 HydrophobicContact CG-CG 4.42Å
886	I	84.1	Confident	77.5	Confident	122 Å²	122	96.5 Å²	96.5	63%	0.626	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.5	173.3	-59.4	174.5	0	0	0	107.4	H864 R865	H864-I886 HydrophobicContact CB-CG2 3.84Å; R865-I886 WeakPolarHBondContact O-CA 3.39Å
887	E	83.1	Confident	77.2	Confident	48 Å²	48	97.8 Å²	97.8	22%	0.224	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.7	176	-76.5	-174.8	174	0	0	110.6	K855 H864 R865 V867 C889	K855-E887 IonicContact NZ-OE1 2.77Å; K855-E887 PolarHBondContact NZ-OE1 3.41Å; H864-E887 WeakPolarHBondContact CA-O 3.32Å; R865-E887 HydrophobicContact CG-CB 4.21Å; R865-E887 IonicContact CZ-OE2 2.6Å; R865-E887 PolarHBondContact N-O 2.7Å; R865-E887 IonicContact NE-OE2 2.69Å; R865-E887 PolarHBondContact NE-OE2 2.86Å; R865-E887 IonicContact NH2-OE2 3.68Å; R865-E887 PolarHBondContact NH2-OE2 3.1Å; R865-E887 PolarHBondContact O-N 2.76Å; V867-E887 HydrophobicContact CG2-CB 3.92Å; V867-E887 HydrophobicContact CG2-CG 3.84Å; E887-C889 PolarHBondContact O-N 3.24Å
888	R	82	Confident	77.2	Confident	222 Å²	222	98.1 Å²	98.1	84%	0.838	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.4	171.3	-66.2	179.4	-174.9	161.7	2.1	109	G863	G863-R888 WeakPolarHBondContact O-CA 3.44Å
889	C	80.7	Confident	77.5	Confident	12 Å²	12	98.5 Å²	98.5	8%	0.081	51%	0.51	C	S	.	.			trans	-111.8	138.9	174.8	51.2	0	0	0	0	109.5	C860 G863 H864 R865 E887 L891	C860-C889 VanDerWaalsContact CA-SG 3.56Å; C860-C889 HydrophobicContact CB-CB 3.87Å; C860-C889 WeakPolarHBondContact CB-SG 3.34Å; C860-C889 WeakPolarHBondContact SG-CB 3.33Å; C860-C889 CovalentContact SG-SG 2.02Å; C860-C889 PolarHBondContact SG-SG 3.24Å; G863-C889 WeakPolarHBondContact CA-O 3.38Å; G863-C889 PolarHBondContact O-N 3.2Å; H864-C889 PolarHBondContact N-SG 2.73Å; H864-C889 VanDerWaalsContact N-SG 3.44Å; R865-C889 HydrophobicContact CB-CB 4.41Å; R865-C889 HydrophobicContact CG-CB 4.15Å; E887-C889 PolarHBondContact O-N 3.24Å; C889-L891 PolarHBondContact O-N 2.66Å
890	P	76.8	Confident	78.2	Confident	106 Å²	106	93.6 Å²	93.6	69%	0.688	49%	0.492	S	S	*	.			trans	-67.2	126.4	177.2	29.3	-33.9	0	0	0	109.4	L892	P890-L892 WeakPolarHBondContact CB-O 3.33Å; P890-L892 PolarHBondContact O-N 2.85Å
891	L	68.7	Low	78.8	Confident	130 Å²	130	91.4 Å²	91.4	68%	0.681	48%	0.48	S	S	*	.	S	Bend	trans	-59.1	-34.2	176.2	-74.2	169.3	0	0	0	112	C889	C889-L891 PolarHBondContact O-N 2.66Å
892	L	67.9	Low	79.5	Confident	74 Å²	74	92.4 Å²	92.4	39%	0.387	49%	0.491	S	S	.	.	S	Bend	trans	-107.5	131.1	174.9	-95.1	69.6	0	0	0	109.7	P890 Q896 T897 V900	P890-L892 WeakPolarHBondContact CB-O 3.33Å; P890-L892 PolarHBondContact O-N 2.85Å; L892-Q896 VanDerWaalsContact CA-OE1 3.24Å; L892-Q896 HydrophobicContact CB-CB 3.83Å; L892-Q896 HydrophobicContact CD2-CB 3.79Å; L892-Q896 HydrophobicContact CG-CB 3.66Å; L892-T897 HydrophobicContact CB-CG2 3.78Å; L892-T897 HydrophobicContact CD2-CG2 4.45Å; L892-V900 HydrophobicContact CD2-CG2 3.91Å
893	S	70.9	Confident	80	Confident	50 Å²	50	90.6 Å²	90.6	35%	0.35	49%	0.485	S	S	.	.			trans	-60.2	157.2	170.9	72.7	0	0	0	0	110.6	S895 Q896 T897	S893-S895 PolarHBondContact O-N 3.49Å; S893-S895 PolarHBondContact OG-OG 3Å; S893-Q896 WeakPolarHBondContact O-CA 3.12Å; S893-Q896 WeakPolarHBondContact O-CB 3.44Å; S893-Q896 PolarHBondContact O-N 2.86Å; S893-Q896 WeakPolarHBondContact OG-CG 3.49Å; S893-Q896 PolarHBondContact OG-N 3.42Å; S893-T897 PolarHBondContact O-N 3.47Å; S893-T897 PolarHBondContact O-OG1 2.76Å
894	R	74.1	Confident	80.5	Confident	230 Å²	230	92.7 Å²	92.7	87%	0.868	50%	0.496	S	S	*	.	H	α-helix	trans	-52.6	-33.7	179	-76	-176.6	179	171.7	0	112.7	T897 A898	R894-T897 WeakPolarHBondContact CA-OG1 3.36Å; R894-T897 PolarHBondContact O-OG1 3.09Å; R894-A898 WeakPolarHBondContact O-CB 3.48Å; R894-A898 PolarHBondContact O-N 2.04Å
895	S	76.2	Confident	81	Confident	87 Å²	87	93.1 Å²	93.1	61%	0.608	49%	0.494	S	S	*	.	H	α-helix	trans	-70.3	-39.4	175.6	54.4	0	0	0	0	112.5	S893 A898 A899	S893-S895 PolarHBondContact O-N 3.49Å; S893-S895 PolarHBondContact OG-OG 3Å; S895-A898 PolarHBondContact O-N 3.28Å; S895-A899 PolarHBondContact O-N 2.84Å
896	Q	78.5	Confident	81.4	Confident	98 Å²	98	94.3 Å²	94.3	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-42	176.1	-69.3	169.5	-24.1	0	0	111.8	L892 S893 A898 A899 V900	L892-Q896 VanDerWaalsContact CA-OE1 3.24Å; L892-Q896 HydrophobicContact CB-CB 3.83Å; L892-Q896 HydrophobicContact CD2-CB 3.79Å; L892-Q896 HydrophobicContact CG-CB 3.66Å; S893-Q896 WeakPolarHBondContact O-CA 3.12Å; S893-Q896 WeakPolarHBondContact O-CB 3.44Å; S893-Q896 PolarHBondContact O-N 2.86Å; S893-Q896 WeakPolarHBondContact OG-CG 3.49Å; S893-Q896 PolarHBondContact OG-N 3.42Å; Q896-A898 VanDerWaalsContact C-N 3.32Å; Q896-A898 PolarHBondContact O-N 3.43Å; Q896-A899 PolarHBondContact O-N 2.72Å; Q896-V900 WeakPolarHBondContact O-CG2 3.13Å; Q896-V900 PolarHBondContact O-N 3.21Å; Q896-V900 VanDerWaalsContact O-N 3.07Å
897	T	77.9	Confident	81.7	Confident	63 Å²	63	93.9 Å²	93.9	39%	0.387	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-38.7	175.3	46.6	0	0	0	0	112.6	L892 S893 R894 V900 L901	L892-T897 HydrophobicContact CB-CG2 3.78Å; L892-T897 HydrophobicContact CD2-CG2 4.45Å; S893-T897 PolarHBondContact O-N 3.47Å; S893-T897 PolarHBondContact O-OG1 2.76Å; R894-T897 WeakPolarHBondContact CA-OG1 3.36Å; R894-T897 PolarHBondContact O-OG1 3.09Å; T897-V900 PolarHBondContact O-N 3.35Å; T897-L901 PolarHBondContact O-N 3.41Å; T897-L901 VanDerWaalsContact O-N 3.1Å
898	A	80.6	Confident	82.1	Confident	50 Å²	50	96.7 Å²	96.7	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-39.9	176.9	0	0	0	0	0	111.6	R894 S895 Q896 L901 L902	R894-A898 WeakPolarHBondContact O-CB 3.48Å; R894-A898 PolarHBondContact O-N 2.04Å; S895-A898 PolarHBondContact O-N 3.28Å; Q896-A898 VanDerWaalsContact C-N 3.32Å; Q896-A898 PolarHBondContact O-N 3.43Å; A898-L901 PolarHBondContact O-N 2.87Å; A898-L902 WeakPolarHBondContact O-CB 3.28Å; A898-L902 PolarHBondContact O-N 3.06Å
899	A	84.6	Confident	82.5	Confident	54 Å²	54	90.3 Å²	90.3	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.2	0	0	0	0	0	112.5	S895 Q896 L902 T903	S895-A899 PolarHBondContact O-N 2.84Å; Q896-A899 PolarHBondContact O-N 2.72Å; A899-L902 PolarHBondContact O-N 2.91Å; A899-T903 WeakPolarHBondContact O-CG2 3.32Å; A899-T903 PolarHBondContact O-N 3.09Å; A899-T903 VanDerWaalsContact O-N 3.11Å; A899-T903 PolarHBondContact O-OG1 3.48Å
900	V	87.6	Confident	82.9	Confident	70 Å²	70	94 Å²	94	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-39.7	177.4	175.3	0	0	0	0	111.9	L892 Q896 T897 T903 L904	L892-V900 HydrophobicContact CD2-CG2 3.91Å; Q896-V900 WeakPolarHBondContact O-CG2 3.13Å; Q896-V900 PolarHBondContact O-N 3.21Å; Q896-V900 VanDerWaalsContact O-N 3.07Å; T897-V900 PolarHBondContact O-N 3.35Å; V900-T903 WeakPolarHBondContact CA-OG1 3.41Å; V900-T903 PolarHBondContact O-OG1 3.23Å; V900-L904 HydrophobicContact CG1-CD1 4.25Å; V900-L904 PolarHBondContact O-N 3.14Å; V900-L904 VanDerWaalsContact O-N 3.14Å
901	L	87.7	Confident	83.5	Confident	110 Å²	110	90.7 Å²	90.7	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-67.6	-40.9	176.9	-75	168.7	0	0	0	112.4	T897 A898 T903 L904 I905	T897-L901 PolarHBondContact O-N 3.41Å; T897-L901 VanDerWaalsContact O-N 3.1Å; A898-L901 PolarHBondContact O-N 2.87Å; L901-T903 PolarHBondContact O-N 2.78Å; L901-L904 PolarHBondContact O-N 2.78Å; L901-I905 WeakPolarHBondContact O-CG1 3.36Å; L901-I905 PolarHBondContact O-N 3.22Å
902	L	89.9	Confident	84.4	Confident	107 Å²	107	89.3 Å²	89.3	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-60.6	-44.9	177	-108.3	154.6	0	0	0	111.8	A898 A899 I905 I906	A898-L902 WeakPolarHBondContact O-CB 3.28Å; A898-L902 PolarHBondContact O-N 3.06Å; A899-L902 PolarHBondContact O-N 2.91Å; L902-I905 PolarHBondContact O-N 3.35Å; L902-I906 VanDerWaalsContact O-CG1 3.28Å; L902-I906 WeakPolarHBondContact O-CG1 3.03Å; L902-I906 PolarHBondContact O-N 3.08Å
903	T	86.9	Confident	85.3	Confident	79 Å²	79	90.1 Å²	90.1	49%	0.485	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-39.7	178.3	48.4	0	0	0	0	112.2	A899 V900 L901 I906 L907	A899-T903 WeakPolarHBondContact O-CG2 3.32Å; A899-T903 PolarHBondContact O-N 3.09Å; A899-T903 VanDerWaalsContact O-N 3.11Å; A899-T903 PolarHBondContact O-OG1 3.48Å; V900-T903 WeakPolarHBondContact CA-OG1 3.41Å; V900-T903 PolarHBondContact O-OG1 3.23Å; L901-T903 PolarHBondContact O-N 2.78Å; T903-I906 PolarHBondContact O-N 3.35Å; T903-L907 WeakPolarHBondContact O-CG 3.09Å; T903-L907 PolarHBondContact O-N 3.18Å; T903-L907 VanDerWaalsContact O-N 3.08Å
904	L	90.4	Very high	85.9	Confident	87 Å²	87	93.3 Å²	93.3	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-42.3	173.8	-82.1	165.5	0	0	0	113.1	V900 L901 I906 L907 I908	V900-L904 HydrophobicContact CG1-CD1 4.25Å; V900-L904 PolarHBondContact O-N 3.14Å; V900-L904 VanDerWaalsContact O-N 3.14Å; L901-L904 PolarHBondContact O-N 2.78Å; L904-I906 VanDerWaalsContact C-N 3.32Å; L904-I906 PolarHBondContact O-N 2.92Å; L904-L907 PolarHBondContact O-N 2.89Å; L904-I908 WeakPolarHBondContact O-CG1 3.41Å; L904-I908 PolarHBondContact O-N 2.04Å
905	I	90.1	Very high	86.4	Confident	93 Å²	93	88 Å²	88	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-42.7	177.2	-69.9	166.5	0	0	0	110.5	L901 L902 L907 I908 I909	L901-I905 WeakPolarHBondContact O-CG1 3.36Å; L901-I905 PolarHBondContact O-N 3.22Å; L902-I905 PolarHBondContact O-N 3.35Å; I905-L907 VanDerWaalsContact C-N 3.31Å; I905-L907 PolarHBondContact O-N 3.3Å; I905-I908 PolarHBondContact O-N 2.76Å; I905-I909 HydrophobicContact CG2-CD1 3.79Å; I905-I909 HydrophobicContact CG2-CG1 4.38Å; I905-I909 VanDerWaalsContact O-CG1 3.32Å; I905-I909 WeakPolarHBondContact O-CG1 3.35Å; I905-I909 PolarHBondContact O-N 3.48Å
906	I	90.3	Very high	86.7	Confident	89 Å²	89	89.7 Å²	89.7	46%	0.456	49%	0.49	S	S	.	.	H	α-helix	trans	-60	-43.4	176.6	-68.2	165	0	0	0	110.6	L902 T903 L904 I908 I909 L910	L902-I906 VanDerWaalsContact O-CG1 3.28Å; L902-I906 WeakPolarHBondContact O-CG1 3.03Å; L902-I906 PolarHBondContact O-N 3.08Å; T903-I906 PolarHBondContact O-N 3.35Å; L904-I906 VanDerWaalsContact C-N 3.32Å; L904-I906 PolarHBondContact O-N 2.92Å; I906-I908 PolarHBondContact O-N 3.46Å; I906-I909 PolarHBondContact O-N 2.73Å; I906-L910 HydrophobicContact CG2-CD1 3.98Å; I906-L910 WeakPolarHBondContact O-CB 3.05Å; I906-L910 WeakPolarHBondContact O-CG 3.06Å; I906-L910 PolarHBondContact O-N 3.06Å
907	L	91	Very high	86.8	Confident	113 Å²	113	88.4 Å²	88.4	59%	0.592	49%	0.492	S	S	*	.	H	α-helix	trans	-63.2	-40.1	176.3	-75.3	170.4	0	0	0	112.7	T903 L904 I905 L910 G911	T903-L907 WeakPolarHBondContact O-CG 3.09Å; T903-L907 PolarHBondContact O-N 3.18Å; T903-L907 VanDerWaalsContact O-N 3.08Å; L904-L907 PolarHBondContact O-N 2.89Å; I905-L907 VanDerWaalsContact C-N 3.31Å; I905-L907 PolarHBondContact O-N 3.3Å; L907-L910 PolarHBondContact O-N 3.02Å; L907-G911 PolarHBondContact O-N 3.02Å
908	I	90.6	Very high	86.6	Confident	106 Å²	106	90.6 Å²	90.6	54%	0.544	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-42.5	176.3	-68.6	168	0	0	0	111	L904 I905 I906 G911 L912	L904-I908 WeakPolarHBondContact O-CG1 3.41Å; L904-I908 PolarHBondContact O-N 2.04Å; I905-I908 PolarHBondContact O-N 2.76Å; I906-I908 PolarHBondContact O-N 3.46Å; I908-G911 PolarHBondContact O-N 2.74Å; I908-L912 HydrophobicContact CG2-CD1 4.15Å; I908-L912 HydrophobicContact CG2-CG 4.46Å; I908-L912 WeakPolarHBondContact O-CB 3.43Å; I908-L912 WeakPolarHBondContact O-CG 3.25Å; I908-L912 PolarHBondContact O-N 3.46Å
909	I	90.4	Very high	86.3	Confident	88 Å²	88	96.6 Å²	96.6	45%	0.451	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-45.7	176.6	-69.8	169.5	0	0	0	110.1	I905 I906 G911 L912 I913	I905-I909 HydrophobicContact CG2-CD1 3.79Å; I905-I909 HydrophobicContact CG2-CG1 4.38Å; I905-I909 VanDerWaalsContact O-CG1 3.32Å; I905-I909 WeakPolarHBondContact O-CG1 3.35Å; I905-I909 PolarHBondContact O-N 3.48Å; I906-I909 PolarHBondContact O-N 2.73Å; I909-G911 VanDerWaalsContact C-N 3.33Å; I909-G911 PolarHBondContact O-N 2.81Å; I909-L912 PolarHBondContact O-N 2.74Å; I909-I913 HydrophobicContact CG2-CD1 3.83Å; I909-I913 HydrophobicContact CG2-CG1 4.45Å; I909-I913 VanDerWaalsContact O-CG1 3.27Å; I909-I913 WeakPolarHBondContact O-CG1 3.35Å; I909-I913 PolarHBondContact O-N 2.81Å
910	L	90.9	Very high	85.5	Confident	89 Å²	89	103.5 Å²	103.5	47%	0.466	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-43	175.1	-74.9	166.8	0	0	0	111.5	I906 L907 L912 I913 I914	I906-L910 HydrophobicContact CG2-CD1 3.98Å; I906-L910 WeakPolarHBondContact O-CB 3.05Å; I906-L910 WeakPolarHBondContact O-CG 3.06Å; I906-L910 PolarHBondContact O-N 3.06Å; L907-L910 PolarHBondContact O-N 3.02Å; L910-L912 PolarHBondContact O-N 3.23Å; L910-I913 PolarHBondContact O-N 3.15Å; L910-I914 WeakPolarHBondContact O-CB 3.01Å; L910-I914 VanDerWaalsContact O-CG1 3.25Å; L910-I914 WeakPolarHBondContact O-CG1 3.36Å; L910-I914 PolarHBondContact O-N 2.81Å
911	G	88.9	Confident	84.4	Confident	38 Å²	38	104.9 Å²	104.9	39%	0.392	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-41.4	174.8	0	0	0	0	0	113.3	L907 I908 I909 I914 F915	L907-G911 PolarHBondContact O-N 3.02Å; I908-G911 PolarHBondContact O-N 2.74Å; I909-G911 VanDerWaalsContact C-N 3.33Å; I909-G911 PolarHBondContact O-N 2.81Å; G911-I914 PolarHBondContact O-N 2.67Å; G911-F915 WeakPolarHBondContact O-CB 3.06Å; G911-F915 PolarHBondContact O-N 2.79Å
912	L	87.6	Confident	83.3	Confident	101 Å²	101	106.3 Å²	106.3	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-67.9	-39	175.3	-76	173	0	0	0	112.2	I908 I909 L910 F915 M916	I908-L912 HydrophobicContact CG2-CD1 4.15Å; I908-L912 HydrophobicContact CG2-CG 4.46Å; I908-L912 WeakPolarHBondContact O-CB 3.43Å; I908-L912 WeakPolarHBondContact O-CG 3.25Å; I908-L912 PolarHBondContact O-N 3.46Å; I909-L912 PolarHBondContact O-N 2.74Å; L910-L912 PolarHBondContact O-N 3.23Å; L912-F915 PolarHBondContact O-N 2.66Å; L912-M916 VanDerWaalsContact O-CB 3.26Å; L912-M916 WeakPolarHBondContact O-CB 3.47Å; L912-M916 WeakPolarHBondContact O-CG 3.43Å; L912-M916 PolarHBondContact O-N 2.96Å
913	I	85.8	Confident	81.8	Confident	91 Å²	91	109.4 Å²	109.4	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-46.6	174.1	-70.3	167.4	0	0	0	109.6	I909 L910 F915 M916 C917	I909-I913 HydrophobicContact CG2-CD1 3.83Å; I909-I913 HydrophobicContact CG2-CG1 4.45Å; I909-I913 VanDerWaalsContact O-CG1 3.27Å; I909-I913 WeakPolarHBondContact O-CG1 3.35Å; I909-I913 PolarHBondContact O-N 2.81Å; L910-I913 PolarHBondContact O-N 3.15Å; I913-F915 VanDerWaalsContact C-N 3.33Å; I913-F915 PolarHBondContact O-N 3.14Å; I913-M916 PolarHBondContact O-N 3.26Å; I913-C917 VanDerWaalsContact O-CB 3.3Å; I913-C917 WeakPolarHBondContact O-CB 3.42Å; I913-C917 PolarHBondContact O-N 3.02Å; I913-C917 PolarHBondContact O-SG 3.04Å
914	I	85.1	Confident	80.2	Confident	117 Å²	117	109.7 Å²	109.7	60%	0.6	54%	0.537	S	S	*	.	H	α-helix	trans	-60.2	-44.2	176	-68.9	165.2	0	0	0	110.5	L910 G911 C917 H918	L910-I914 WeakPolarHBondContact O-CB 3.01Å; L910-I914 VanDerWaalsContact O-CG1 3.25Å; L910-I914 WeakPolarHBondContact O-CG1 3.36Å; L910-I914 PolarHBondContact O-N 2.81Å; G911-I914 PolarHBondContact O-N 2.67Å; I914-C917 PolarHBondContact O-N 2.98Å; I914-H918 WeakPolarHBondContact O-CB 3.18Å; I914-H918 PolarHBondContact O-N 2.79Å
915	F	84.5	Confident	78.4	Confident	119 Å²	119	111.8 Å²	111.8	52%	0.522	55%	0.545	S	S	.	.	H	α-helix	trans	-64.3	-43	177.4	-178.6	-100.2	0	0	0	112.6	G911 L912 I913 H918 R919	G911-F915 WeakPolarHBondContact O-CB 3.06Å; G911-F915 PolarHBondContact O-N 2.79Å; L912-F915 PolarHBondContact O-N 2.66Å; I913-F915 VanDerWaalsContact C-N 3.33Å; I913-F915 PolarHBondContact O-N 3.14Å; F915-H918 PolarHBondContact O-N 3.22Å; F915-R919 WeakPolarHBondContact O-CB 3.44Å; F915-R919 PolarHBondContact O-N 3.31Å
916	M	81.6	Confident	76.6	Confident	121 Å²	121	117 Å²	117	60%	0.596	56%	0.56	S	S	*	*	H	α-helix	trans	-63.1	-45	175.6	-76.6	-71.6	-74.8	0	0	110.8	L912 I913 H918 R919 R920	L912-M916 VanDerWaalsContact O-CB 3.26Å; L912-M916 WeakPolarHBondContact O-CB 3.47Å; L912-M916 WeakPolarHBondContact O-CG 3.43Å; L912-M916 PolarHBondContact O-N 2.96Å; I913-M916 PolarHBondContact O-N 3.26Å; M916-H918 VanDerWaalsContact C-N 3.35Å; M916-H918 PolarHBondContact O-N 2.81Å; M916-R919 PolarHBondContact O-N 3.32Å; M916-R920 WeakPolarHBondContact O-CB 3.39Å; M916-R920 PolarHBondContact O-N 3.46Å
917	C	79.9	Confident	74.7	Confident	72 Å²	72	121.1 Å²	121.1	49%	0.486	57%	0.574	S	S	.	*	H	α-helix	trans	-59.6	-44.1	173.2	-75.8	0	0	0	0	111.3	I913 I914 R920 N921	I913-C917 VanDerWaalsContact O-CB 3.3Å; I913-C917 WeakPolarHBondContact O-CB 3.42Å; I913-C917 PolarHBondContact O-N 3.02Å; I913-C917 PolarHBondContact O-SG 3.04Å; I914-C917 PolarHBondContact O-N 2.98Å; C917-R920 PolarHBondContact O-N 2.65Å; C917-N921 WeakPolarHBondContact O-CB 3.35Å; C917-N921 PolarHBondContact O-N 2.86Å
918	H	75.2	Confident	72.6	Confident	109 Å²	109	123 Å²	123	51%	0.505	58%	0.575	S	S	.	*	H	α-helix	trans	-62.9	-44.7	177	-174.2	53.2	0	0	0	112	I914 F915 M916 R920 N921 K922	I914-H918 WeakPolarHBondContact O-CB 3.18Å; I914-H918 PolarHBondContact O-N 2.79Å; F915-H918 PolarHBondContact O-N 3.22Å; M916-H918 VanDerWaalsContact C-N 3.35Å; M916-H918 PolarHBondContact O-N 2.81Å; H918-R920 VanDerWaalsContact C-N 3.33Å; H918-R920 PolarHBondContact O-N 2.69Å; H918-N921 PolarHBondContact O-N 3.45Å; H918-K922 PolarHBondContact O-N 2.81Å; H918-K922 VanDerWaalsContact O-N 3.08Å
919	R	73.2	Confident	70.9	Confident	176 Å²	176	125.6 Å²	125.6	66%	0.664	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-36	177.8	-162.3	-179.9	176.4	-172.1	0.1	111.9	F915 M916	F915-R919 WeakPolarHBondContact O-CB 3.44Å; F915-R919 PolarHBondContact O-N 3.31Å; M916-R919 PolarHBondContact O-N 3.32Å
920	R	68	Low	68.7	Low	199 Å²	199	130.7 Å²	130.7	75%	0.751	61%	0.605	S	S	*	*	H	α-helix	trans	-69.5	-38	175.1	-138.4	177.3	177.9	178.6	-1.9	111.3	M916 C917 H918 K923 L924	M916-R920 WeakPolarHBondContact O-CB 3.39Å; M916-R920 PolarHBondContact O-N 3.46Å; C917-R920 PolarHBondContact O-N 2.65Å; H918-R920 VanDerWaalsContact C-N 3.33Å; H918-R920 PolarHBondContact O-N 2.69Å; R920-K923 PolarHBondContact O-N 2.88Å; R920-L924 PolarHBondContact O-N 3.42Å
921	N	64.8	Low	66.6	Low	99 Å²	99	133 Å²	133	53%	0.529	62%	0.617	S	S	.	*	H	α-helix	trans	-63.2	-42.7	174.7	-96.4	0.8	0	0	0	112.8	C917 H918 K923 L924 E925	C917-N921 WeakPolarHBondContact O-CB 3.35Å; C917-N921 PolarHBondContact O-N 2.86Å; H918-N921 PolarHBondContact O-N 3.45Å; N921-K923 PolarHBondContact O-N 3.41Å; N921-K923 VanDerWaalsContact O-N 3.16Å; N921-L924 PolarHBondContact O-N 3.43Å; N921-E925 PolarHBondContact O-N 3.12Å
922	K	63.6	Low	64.5	Low	140 Å²	140	135.7 Å²	135.7	61%	0.609	63%	0.626	S	S	*	*	H	α-helix	trans	-59.6	-28.3	174.6	-82.3	-155.9	175.6	-172	0	113.9	H918 L924	H918-K922 PolarHBondContact O-N 2.81Å; H918-K922 VanDerWaalsContact O-N 3.08Å; K922-L924 VanDerWaalsContact C-N 3.35Å
923	K	59.2	Low	62.4	Low	172 Å²	172	140.4 Å²	140.4	75%	0.748	65%	0.645	S	S	*	*	H	α-helix	trans	-78.3	-20.5	177.5	-157	174.5	-176.8	179.2	0	112.7	R920 N921	R920-K923 PolarHBondContact O-N 2.88Å; N921-K923 PolarHBondContact O-N 3.41Å; N921-K923 VanDerWaalsContact O-N 3.16Å
924	L	53.7	Low	60.2	Low	84 Å²	84	140.8 Å²	140.8	44%	0.44	66%	0.656	S	S	.	*	H	α-helix	trans	-85.7	-32.8	176.8	-74.2	160.3	0	0	0	112.1	R920 N921 K922 Y926 K927 Y928	R920-L924 PolarHBondContact O-N 3.42Å; N921-L924 PolarHBondContact O-N 3.43Å; K922-L924 VanDerWaalsContact C-N 3.35Å; L924-Y926 VanDerWaalsContact C-N 3.31Å; L924-Y926 PolarHBondContact O-N 2.88Å; L924-K927 PolarHBondContact O-N 3Å; L924-Y928 HydrophobicContact CB-CD2 4.41Å; L924-Y928 HydrophobicContact CD2-CD2 4.11Å; L924-Y928 HydrophobicContact CD2-CE2 3.8Å; L924-Y928 PolarHBondContact O-N 2.8Å
925	E	53.6	Low	58.1	Low	131 Å²	131	140.4 Å²	140.4	61%	0.612	66%	0.659	S	S	*	*	H	α-helix	trans	-60.1	-35.1	178.5	-75.8	-179.5	158.2	0	0	113.3	N921 K927 M929	N921-E925 PolarHBondContact O-N 3.12Å; E925-K927 VanDerWaalsContact C-N 3.31Å; E925-K927 PolarHBondContact O-N 2.87Å; E925-M929 WeakPolarHBondContact O-CB 3.17Å; E925-M929 PolarHBondContact O-N 3.48Å
926	Y	50.8	Low	55.5	Low	204 Å²	204	140.1 Å²	140.1	80%	0.8	67%	0.672	S	S	*	*	H	α-helix	trans	-70.6	-23.6	179.7	-161.1	-96.3	0	0	0	114	L924	L924-Y926 VanDerWaalsContact C-N 3.31Å; L924-Y926 PolarHBondContact O-N 2.88Å
927	K	50.7	Low	53.1	Low	174 Å²	174	137.8 Å²	137.8	76%	0.757	68%	0.679	S	S	*	*	H	α-helix	trans	-104.2	-24.4	-179.3	-78.8	-172	175.5	-173.8	0	114.2	L924 E925	L924-K927 PolarHBondContact O-N 3Å; E925-K927 VanDerWaalsContact C-N 3.31Å; E925-K927 PolarHBondContact O-N 2.87Å
928	Y	47.2	Very low	50.9	Low	153 Å²	153	143.9 Å²	143.9	60%	0.6	70%	0.697	S	S	*	*	H	α-helix	trans	-83.6	-20.3	175.3	-85.7	-88	0	0	0	113.7	L924 K930 L931 V932	L924-Y928 HydrophobicContact CB-CD2 4.41Å; L924-Y928 HydrophobicContact CD2-CD2 4.11Å; L924-Y928 HydrophobicContact CD2-CE2 3.8Å; L924-Y928 PolarHBondContact O-N 2.8Å; Y928-K930 PolarHBondContact O-N 2.88Å; Y928-L931 PolarHBondContact O-N 3.37Å; Y928-V932 HydrophobicContact CD1-CG2 4.11Å; Y928-V932 WeakPolarHBondContact O-CG2 3.23Å
929	M	53.8	Low	48.9	Very low	161 Å²	161	145 Å²	145	79%	0.793	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-17.2	178.1	-167.1	157.8	68.1	0	0	114.1	E925	E925-M929 WeakPolarHBondContact O-CB 3.17Å; E925-M929 PolarHBondContact O-N 3.48Å
930	K	46.1	Very low	46.8	Very low	195 Å²	195	144.9 Å²	144.9	85%	0.848	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-6.2	179.3	-149.4	-178.9	-178.8	-177.7	0	114.6	Y928	Y928-K930 PolarHBondContact O-N 2.88Å
931	L	46.7	Very low	45.3	Very low	137 Å²	137	141.8 Å²	141.8	72%	0.717	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	-8.7	-173.1	-139.6	82.1	0	0	0	115	Y928	Y928-L931 PolarHBondContact O-N 3.37Å
932	V	44.2	Very low	43.7	Very low	94 Å²	94	143 Å²	143	57%	0.57	73%	0.728	S	S	*	*			trans	-116.1	38.2	-168.9	-164.2	0	0	0	0	112.5	Y928	Y928-V932 HydrophobicContact CD1-CG2 4.11Å; Y928-V932 WeakPolarHBondContact O-CG2 3.23Å
933	Q	42.7	Very low	42.5	Very low	201 Å²	201	141.9 Å²	141.9	94%	0.939	74%	0.738	S	S	*	*	S	Bend	trans	-99.3	4.7	161.6	-122.5	175	0.3	0	0	113.1
934	S	40.9	Very low	41	Very low	99 Å²	99	139.6 Å²	139.6	69%	0.692	74%	0.742	S	S	*	*	S	Bend	trans	-151.9	64.8	179.2	63.4	0	0	0	0	112.9
935	T	40.8	Very low	40.2	Very low	109 Å²	109	140 Å²	140	67%	0.669	76%	0.757	S	S	*	*			trans	-168.7	92.2	157.5	4.6	0	0	0	0	111.9
936	S	29.6	Very low	39.2	Very low	113 Å²	113	141.2 Å²	141.2	79%	0.79	77%	0.767	S	S	*	*			trans	10.7	119	135.2	52.9	0	0	0	0	119.5
937	G	31.6	Very low	38.3	Very low	71 Å²	71	140.6 Å²	140.6	73%	0.732	77%	0.771	S	S	*	*				105.7	131.1	99.4	0	0	0	0	0	119.6
938	K	33.6	Very low	37.4	Very low	200 Å²	200	136 Å²	136	87%	0.87	77%	0.774	S	S	*	*			trans	81.5	142.9	160.9	-60.5	179.3	177.7	179.5	0	118
939	N	32.1	Very low	36.6	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	79%	0.791	S	S	*	*			cis	179.8	133	-25.4	-106.1	1.3	0	0	0	107.2
940	Q	28.5	Very low	35.4	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.813	79%	0.787	S	S	*	*			trans	59.8	139.4	145.3	-68.4	175.1	-39.2	0	0	120.3
941	V	37.7	Very low	34.6	Very low	134 Å²	134	130.5 Å²	130.5	81%	0.812	78%	0.783	S	S	*	*				-154.2	150.2	65.4	167.7	0	0	0	0	113.2
942	T	31.8	Very low	33.7	Very low	124 Å²	124	131 Å²	131	76%	0.761	78%	0.784	S	S	*	*			trans	-44.9	158.8	173.9	49.6	0	0	0	0	118
943	S	36.6	Very low	32.9	Very low	117 Å²	117	131.8 Å²	131.8	82%	0.818	79%	0.785	S	S	*	*				-172.5	154.2	60.9	-178.2	0	0	0	0	112.7
944	C	29.2	Very low	32.2	Very low	123 Å²	123	131 Å²	131	83%	0.831	78%	0.778	S	S	*	*			trans	-96.3	154.8	-179.5	-43.2	0	0	0	0	112.4
945	A	35.8	Very low	31.4	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	79%	0.786	S	S	*	*			trans	162.3	100.1	142.8	0	0	0	0	0	108
946	L	33	Very low	30.6	Very low	158 Å²	158	128.2 Å²	128.2	83%	0.827	79%	0.787	S	S	*	*				68.9	110.5	96.1	-76.5	176.1	0	0	0	115.1
947	E	30.8	Very low	30.4	Very low	190 Å²	190	127.9 Å²	127.9	89%	0.888	79%	0.785	S	S	*	*			trans	3.9	139.8	144.2	-66.8	167	169.2	0	0	119.5
948	G	33.8	Very low	30.1	Very low	79 Å²	79	130.7 Å²	130.7	81%	0.814	78%	0.782	S	S	*	*			trans	175.5	95.2	165.5	0	0	0	0	0	111.1
949	D	28.5	Very low	29.7	Very low	179 Å²	179	131 Å²	131	96%	0.957	78%	0.779	S	S	*	*			trans	-50	155.3	165.5	-69.9	-51.6	0	0	0	112.9
950	G	28.8	Very low	29.5	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	79%	0.789	S	S	*	*			trans	150.6	89.3	161.8	0	0	0	0	0	115
951	D	28.9	Very low	29.5	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	79%	0.785	S	S	*	*				71.2	124.5	129.9	-75.2	-23.2	0	0	0	122.1
952	M	27.8	Very low	28.9	Very low	148 Å²	148	133.3 Å²	133.3	73%	0.729	79%	0.786	S	S	*	*				75.6	111.5	123.4	-66.5	-86.4	-159.4	0	0	118.1
953	D	28.9	Very low	28.6	Very low	111 Å²	111	135.9 Å²	135.9	59%	0.594	79%	0.791	S	S	*	*				84.9	132.5	119.3	-90.2	-2	0	0	0	120.4
954	K	27.9	Very low	27.9	Very low	183 Å²	183	137.3 Å²	137.3	80%	0.796	79%	0.79	S	S	*	*			trans	74.1	113.2	146.7	-64.6	160.5	-171.4	160.3	0	113.7
955	G	23.8	Very low	27.7	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	79%	0.786	S	S	*	*				94.9	104.2	55.4	0	0	0	0	0	107.5
956	G	24.9	Very low	27.3	Very low	66 Å²	66	138.1 Å²	138.1	68%	0.68	78%	0.781	S	S	*	*			trans	165.3	85.8	179.9	0	0	0	0	0	108
957	S	24.7	Very low	27	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	78%	0.777	S	S	*	*				88.2	156.3	90.1	78.4	0	0	0	0	111.3
958	I	24.9	Very low	26.8	Very low	129 Å²	129	132.7 Å²	132.7	66%	0.662	77%	0.766	S	S	*	*			trans	106.3	97	160.8	-60	157.5	0	0	0	116.4
959	Y	25.4	Very low	26.5	Very low	206 Å²	206	136.8 Å²	136.8	81%	0.808	77%	0.769	S	S	*	*			trans	41	129.1	137.6	-52	-83.3	0	0	0	121.7
960	Y	28.7	Very low	26.4	Very low	234 Å²	234	133.8 Å²	133.8	92%	0.918	76%	0.762	S	S	*	*			trans	-124.3	123.4	147.5	-70	-76.5	0	0	0	111.7
961	T	26.9	Very low	26.4	Very low	119 Å²	119	138.6 Å²	138.6	73%	0.73	77%	0.772	S	S	*	*			trans	-62	147.2	171.6	40.5	0	0	0	0	113.4
962	T	24.7	Very low	26.3	Very low	137 Å²	137	136.7 Å²	136.7	84%	0.84	77%	0.77	S	S	*	*			trans	-53.5	127.9	159.2	47.1	0	0	0	0	112.2
963	M	25.5	Very low	26.3	Very low	178 Å²	178	137.7 Å²	137.7	88%	0.877	78%	0.778	S	S	*	*			trans	-129.5	107.6	152.6	-76.2	-144.2	-174.6	0	0	107.6
964	N	23.9	Very low	26.2	Very low	147 Å²	147	137 Å²	137	79%	0.786	78%	0.782	S	S	*	*				67.3	120.4	80.2	-105	2.9	0	0	0	115.3
965	N	24.9	Very low	26	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	79%	0.788	S	S	*	*			trans	65.3	132.2	141.7	-101	4.2	0	0	0	116.7
966	S	26.2	Very low	26	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	79%	0.787	S	S	*	*			cis	-174.4	166.9	36.3	-26.1	0	0	0	0	104.4
967	N	26.1	Very low	26.2	Very low	141 Å²	141	149.6 Å²	149.6	75%	0.754	80%	0.797	S	S	*	*			cis	-174.6	159.6	12.4	-127.1	-9.1	0	0	0	106.8
968	S	26.5	Very low	26.2	Very low	93 Å²	93	150.9 Å²	150.9	65%	0.65	80%	0.8	S	S	*	*			trans	73.5	93.2	148.1	-53.6	0	0	0	0	119.8
969	N	29.1	Very low	26.1	Very low	164 Å²	164	156.3 Å²	156.3	88%	0.877	81%	0.813	S	S	*	*				-178.5	111.9	94.5	-92.7	-13	0	0	0	110.4
970	S	26.8	Very low	26.1	Very low	117 Å²	117	154.1 Å²	154.1	82%	0.818	81%	0.813	S	S	*	*			trans	-84.1	114.8	179.8	47.8	0	0	0	0	111
971	N	28	Very low	25.9	Very low	169 Å²	169	152 Å²	152	90%	0.904	81%	0.809	S	S	*	*			trans	-110.6	120.2	154.1	-98.7	-7	0	0	0	108
972	S	27.2	Very low	25.9	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	81%	0.809	S	S	*	*			trans	-89	131.8	-178.9	50.3	0	0	0	0	110.9
973	D	27.5	Very low	25.9	Very low	168 Å²	168	150.2 Å²	150.2	90%	0.898	80%	0.804	S	S	*	*				-157	134	125.5	-95	-25	0	0	0	110
974	S	25.8	Very low	26	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	80%	0.795	S	S	*	*			trans	-87.6	138	-164.6	64.3	0	0	0	0	113.2
975	Y	24.6	Very low	26.1	Very low	237 Å²	237	145 Å²	145	93%	0.929	79%	0.794	S	S	*	*			trans	-136.5	119.6	142.9	-96.2	-83.6	0	0	0	110	K977	Y975-K977 PolarHBondContact O-N 2.92Å
976	N	24.4	Very low	26.3	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	80%	0.795	S	S	*	*			trans	-57.4	116.1	170.9	-76.5	-35	0	0	0	110.7
977	K	27.4	Very low	26.5	Very low	203 Å²	203	147 Å²	147	88%	0.883	80%	0.795	S	S	*	*			trans	-123.1	107.1	153.4	-86.7	-175.9	178.1	176.3	0	109	Y975	Y975-K977 PolarHBondContact O-N 2.92Å
978	T	25.5	Very low	26.6	Very low	133 Å²	133	148.5 Å²	148.5	82%	0.816	80%	0.802	S	S	*	*			trans	-46.9	132.2	169.5	29.3	0	0	0	0	111	I980	T978-I980 PolarHBondContact O-N 2.94Å
979	R	22.6	Very low	26.5	Very low	244 Å²	244	147.2 Å²	147.2	92%	0.921	79%	0.793	S	S	*	*			trans	-67.3	92.7	-179.8	-147.8	-177.5	-144.7	-175.8	5.1	109	K981	R979-K981 PolarHBondContact O-N 2.85Å; R979-K981 VanDerWaalsContact O-N 3.14Å
980	I	25.2	Very low	26.3	Very low	159 Å²	159	146.8 Å²	146.8	82%	0.815	80%	0.797	S	S	*	*			trans	-65.8	111	161.7	-62	174.8	0	0	0	105.1	T978 S982	T978-I980 PolarHBondContact O-N 2.94Å; I980-S982 PolarHBondContact O-N 3.41Å; I980-S982 VanDerWaalsContact O-N 3.09Å
981	K	24.8	Very low	26.2	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-54.3	116.7	172.2	-74.1	179.1	176.2	178.9	0	107.2	R979	R979-K981 PolarHBondContact O-N 2.85Å; R979-K981 VanDerWaalsContact O-N 3.14Å
982	S	26.9	Very low	26.1	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-51.3	139.4	161	31.2	0	0	0	0	108.5	I980	I980-S982 PolarHBondContact O-N 3.41Å; I980-S982 VanDerWaalsContact O-N 3.09Å
983	P	25.7	Very low	26.1	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-57.9	145.5	-179.5	24.2	-31.8	0	0	0	109.6	S985	P983-S985 PolarHBondContact O-N 3.16Å
984	P	26.3	Very low	26	Very low	106 Å²	106	140.5 Å²	140.5	69%	0.688	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.8	-176.4	21.8	-30.8	0	0	0	110.4	Y986	P984-Y986 PolarHBondContact O-N 3.24Å
985	S	26.4	Very low	26.1	Very low	109 Å²	109	142 Å²	142	76%	0.762	76%	0.762	S	S	*	*			trans	-52.6	102	167.4	165	0	0	0	0	109.4	P983 A987	P983-S985 PolarHBondContact O-N 3.16Å; S985-A987 PolarHBondContact O-N 2.78Å
986	Y	28.5	Very low	26.5	Very low	199 Å²	199	133.8 Å²	133.8	78%	0.78	74%	0.738	S	S	*	*			trans	-69.8	73.7	166	-89.1	-86.2	0	0	0	108.9	P984 S989	P984-Y986 PolarHBondContact O-N 3.24Å; Y986-S989 VanDerWaalsContact CD1-OG 3.26Å; Y986-S989 WeakPolarHBondContact CD1-OG 3.49Å
987	A	30.5	Very low	26.9	Very low	77 Å²	77	131.6 Å²	131.6	64%	0.636	73%	0.726	S	S	*	*			trans	-98.8	-6.7	170.8	0	0	0	0	0	112.5	S985	S985-A987 PolarHBondContact O-N 2.78Å
988	D	28.1	Very low	27.2	Very low	171 Å²	171	128 Å²	128	91%	0.914	71%	0.712	S	S	*	*	S	Bend	trans	-123	18.5	-178.2	-86.6	-22.7	0	0	0	114.3
989	S	26.3	Very low	27.4	Very low	66 Å²	66	130.2 Å²	130.2	46%	0.462	71%	0.711	S	S	.	*			trans	-102.4	114.8	166.9	70.4	0	0	0	0	110.7	Y986 G991	Y986-S989 VanDerWaalsContact CD1-OG 3.26Å; Y986-S989 WeakPolarHBondContact CD1-OG 3.49Å; S989-G991 PolarHBondContact O-N 2.77Å
990	T	24.9	Very low	28	Very low	156 Å²	156	119.8 Å²	119.8	96%	0.957	67%	0.674	S	S	*	*			trans	-68.1	52.5	167.3	45.5	0	0	0	0	112
991	G	23.9	Very low	28.4	Very low	51 Å²	51	120 Å²	120	53%	0.526	67%	0.669	S	S	.	*			trans	-85.3	131.1	171	0	0	0	0	0	110.4	S989 V993	S989-G991 PolarHBondContact O-N 2.77Å; G991-V993 PolarHBondContact O-N 3.23Å
992	V	25.6	Very low	28.8	Very low	132 Å²	132	116.6 Å²	116.6	80%	0.8	66%	0.66	S	S	*	*			trans	-61.3	119.5	177.6	179.6	0	0	0	0	109.8	L994	V992-L994 HydrophobicContact CG1-CD2 4.23Å; V992-L994 HydrophobicContact CG1-CG 4.42Å; V992-L994 PolarHBondContact O-N 2.95Å
993	V	26.6	Very low	29.3	Very low	116 Å²	116	117.4 Å²	117.4	70%	0.703	66%	0.656	S	S	*	*			trans	-85.4	101.9	171.5	178.8	0	0	0	0	107.4	G991	G991-V993 PolarHBondContact O-N 3.23Å
994	L	25.5	Very low	29.7	Very low	127 Å²	127	118.6 Å²	118.6	67%	0.665	65%	0.651	S	S	*	*			trans	-73.1	128.2	172.3	-68.1	168.8	0	0	0	109.8	V992	V992-L994 HydrophobicContact CG1-CD2 4.23Å; V992-L994 HydrophobicContact CG1-CG 4.42Å; V992-L994 PolarHBondContact O-N 2.95Å
995	E	28.1	Very low	30	Very low	130 Å²	130	116.4 Å²	116.4	61%	0.607	63%	0.631	S	S	*	*			trans	-70.7	143.1	176.9	-74.6	-167.7	160	0	0	111.7	N997 E998	E995-N997 PolarHBondContact O-N 3.12Å; E995-E998 PolarHBondContact O-N 2.83Å
996	P	33.8	Very low	30.5	Very low	64 Å²	64	115.2 Å²	115.2	42%	0.416	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.3	-17.8	177.3	-21.4	31.9	0	0	0	114.7
997	N	32.2	Very low	30.9	Very low	112 Å²	112	113.7 Å²	113.7	60%	0.599	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-19.8	-175.2	-69.9	-25	0	0	0	113.7	E995	E995-N997 PolarHBondContact O-N 3.12Å
998	E	34.4	Very low	31.2	Very low	126 Å²	126	114.9 Å²	114.9	59%	0.589	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-29	178.8	-69.4	-168.1	146.1	0	0	112.5	E995 L1000	E995-E998 PolarHBondContact O-N 2.83Å; E998-L1000 VanDerWaalsContact C-N 3.26Å; E998-L1000 PolarHBondContact O-N 2.03Å
999	F	30	Very low	31.5	Very low	180 Å²	180	109.8 Å²	109.8	79%	0.789	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-19.5	177	-136.8	-89.8	0	0	0	113.2
1000	L	34.1	Very low	32	Very low	26 Å²	26	108.6 Å²	108.6	14%	0.136	59%	0.587	C	S	.	*	T	Hydrogen-bonded Turn	trans	-102	6.3	-174.2	-68.6	172.5	0	0	0	114.4	E998 N1002 F1005 L1013	E998-L1000 VanDerWaalsContact C-N 3.26Å; E998-L1000 PolarHBondContact O-N 2.03Å; L1000-N1002 PolarHBondContact O-N 2.79Å; L1000-F1005 HydrophobicContact CD2-CB 4.07Å; L1000-F1005 HydrophobicContact CD2-CD1 4.4Å; L1000-F1005 HydrophobicContact CD2-CD2 4.5Å; L1000-F1005 HydrophobicContact CD2-CG 4.08Å; L1000-L1013 HydrophobicContact CD2-CD1 4.4Å
1001	K	33.2	Very low	32.5	Very low	163 Å²	163	110.1 Å²	110.1	71%	0.709	58%	0.58	S	S	*	*			trans	-71.7	-3	175.7	-87.2	-175.2	179.8	172	0	114.6	D1003	K1001-D1003 PolarHBondContact O-N 2.79Å
1002	N	34.4	Very low	33.1	Very low	119 Å²	119	110 Å²	110	64%	0.636	58%	0.579	S	S	*	*	S	Bend	trans	-73.3	115.2	168.3	-91.6	-13.4	0	0	0	109.5	L1000 H1004 F1005	L1000-N1002 PolarHBondContact O-N 2.79Å; N1002-H1004 PolarHBondContact O-N 2.78Å; N1002-F1005 HydrophobicContact CB-CD2 4.16Å; N1002-F1005 HydrophobicContact CB-CE2 4.4Å; N1002-F1005 PolarHBondContact O-N 3.33Å
1003	D	37.1	Very low	33.4	Very low	121 Å²	121	106.9 Å²	106.9	65%	0.647	56%	0.558	S	S	*	*	H	α-helix	trans	-49.4	-18.6	-176.9	-75.7	-36.1	0	0	0	115.2	K1001 F1005 T1006 Q1007	K1001-D1003 PolarHBondContact O-N 2.79Å; D1003-F1005 VanDerWaalsContact C-N 3.32Å; D1003-F1005 PolarHBondContact O-N 2.73Å; D1003-T1006 PolarHBondContact O-OG1 2.04Å; D1003-Q1007 WeakPolarHBondContact O-CG 3.39Å; D1003-Q1007 PolarHBondContact O-N 3.23Å
1004	H	34.7	Very low	33.6	Very low	139 Å²	139	103.3 Å²	103.3	64%	0.644	54%	0.537	S	S	*	.	H	α-helix	trans	-60.7	-34.6	172.9	-99.3	-73.3	0	0	0	113.8	N1002	N1002-H1004 PolarHBondContact O-N 2.78Å
1005	F	32.2	Very low	33.7	Very low	60 Å²	60	103.3 Å²	103.3	26%	0.263	53%	0.532	S	S	.	.	H	α-helix	trans	-85.4	-32.8	-173.5	-68.3	-79.3	0	0	0	113.4	L1000 N1002 D1003 M1008 F1010	L1000-F1005 HydrophobicContact CD2-CB 4.07Å; L1000-F1005 HydrophobicContact CD2-CD1 4.4Å; L1000-F1005 HydrophobicContact CD2-CD2 4.5Å; L1000-F1005 HydrophobicContact CD2-CG 4.08Å; N1002-F1005 HydrophobicContact CB-CD2 4.16Å; N1002-F1005 HydrophobicContact CB-CE2 4.4Å; N1002-F1005 PolarHBondContact O-N 3.33Å; D1003-F1005 VanDerWaalsContact C-N 3.32Å; D1003-F1005 PolarHBondContact O-N 2.73Å; F1005-M1008 PolarHBondContact O-N 3.47Å; F1005-F1010 PolarHBondContact O-N 2.98Å
1006	T	36.9	Very low	33.8	Very low	84 Å²	84	101.1 Å²	101.1	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-72.3	-36.2	177.4	38.5	0	0	0	0	112.4	D1003 M1008 G1009	D1003-T1006 PolarHBondContact O-OG1 2.04Å; T1006-M1008 PolarHBondContact O-N 2.97Å; T1006-G1009 PolarHBondContact O-N 3.24Å
1007	Q	35.5	Very low	33.5	Very low	168 Å²	168	105.6 Å²	105.6	79%	0.785	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.9	176.1	-72.3	-176.5	6.7	0	0	113.3	D1003	D1003-Q1007 WeakPolarHBondContact O-CG 3.39Å; D1003-Q1007 PolarHBondContact O-N 3.23Å
1008	M	37	Very low	33.2	Very low	101 Å²	101	106.7 Å²	106.7	50%	0.498	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	10	177.7	-63.1	-174.7	-177.4	0	0	113.8	F1005 T1006 F1010	F1005-M1008 PolarHBondContact O-N 3.47Å; T1006-M1008 PolarHBondContact O-N 2.97Å; M1008-F1010 HydrophobicContact CB-CD2 4.15Å; M1008-F1010 HydrophobicContact CB-CE2 4.31Å
1009	G	34.2	Very low	32.7	Very low	65 Å²	65	105.7 Å²	105.7	67%	0.67	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	82	13.5	171	0	0	0	0	0	116.3	T1006 K1011	T1006-G1009 PolarHBondContact O-N 3.24Å; G1009-K1011 PolarHBondContact O-N 3.14Å
1010	F	37.7	Very low	32.5	Very low	41 Å²	41	102.1 Å²	102.1	18%	0.18	55%	0.552	C	S	.	*			trans	-85.6	109.3	177.5	-71.6	-83.2	0	0	0	112.4	I815 F1005 M1008	I815-F1010 HydrophobicContact CD1-CE2 3.68Å; I815-F1010 HydrophobicContact CD1-CZ 3.98Å; I815-F1010 HydrophobicContact CG1-CE2 4.15Å; I815-F1010 HydrophobicContact CG1-CZ 3.92Å; F1005-F1010 PolarHBondContact O-N 2.98Å; M1008-F1010 HydrophobicContact CB-CD2 4.15Å; M1008-F1010 HydrophobicContact CB-CE2 4.31Å
1011	K	35.2	Very low	32.1	Very low	187 Å²	187	107.7 Å²	107.7	81%	0.813	58%	0.58	S	S	*	*			trans	-108.7	115.1	151.2	-79.5	-178.1	178.5	173.9	0	108.1	G1009	G1009-K1011 PolarHBondContact O-N 3.14Å
1012	G	37.4	Very low	31.8	Very low	48 Å²	48	106.5 Å²	106.5	50%	0.495	58%	0.58	S	S	.	*			trans	98.2	58.2	165.5	0	0	0	0	0	116.9	P1014	G1012-P1014 WeakPolarHBondContact O-CD 3.44Å
1013	L	31.8	Very low	31.4	Very low	67 Å²	67	109.7 Å²	109.7	35%	0.351	59%	0.589	S	S	.	*			trans	-63.8	126	158.9	-81.4	169	0	0	0	109.4	L1000	L1000-L1013 HydrophobicContact CD2-CD1 4.4Å
1014	P	31.2	Very low	30.8	Very low	42 Å²	42	113.4 Å²	113.4	27%	0.273	60%	0.599	S	S	.	*			trans	-72.7	141.1	177.9	23.3	-28.8	0	0	0	112.2	W873 G1012 V1016	W873-P1014 HydrophobicContact CG-CG 4.48Å; G1012-P1014 WeakPolarHBondContact O-CD 3.44Å; P1014-V1016 PolarHBondContact O-N 3.5Å
1015	K	27.8	Very low	30.5	Very low	126 Å²	126	111.2 Å²	111.2	55%	0.548	61%	0.605	S	S	.	*			trans	-41.5	118.8	-177	-72.1	-175.3	175.2	-175.3	0	113.2
1016	V	29.8	Very low	30.5	Very low	84 Å²	84	117.9 Å²	117.9	51%	0.509	63%	0.634	S	S	.	*			trans	-85.1	122.3	159.8	-175.7	0	0	0	0	107.1	P1014 L1018	P1014-V1016 PolarHBondContact O-N 3.5Å; V1016-L1018 VanDerWaalsContact C-N 3.27Å; V1016-L1018 HydrophobicContact CG1-CG 4.37Å; V1016-L1018 PolarHBondContact O-N 2.85Å
1017	N	27	Very low	30.3	Very low	158 Å²	158	117.8 Å²	117.8	85%	0.845	64%	0.637	S	S	*	*			trans	-69.9	85.9	167.8	-85.3	-22.8	0	0	0	108.4
1018	L	26.2	Very low	30.7	Very low	136 Å²	136	116.8 Å²	116.8	71%	0.712	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-74.4	126.9	160.3	-75.2	161.3	0	0	0	107.2	V1016	V1016-L1018 VanDerWaalsContact C-N 3.27Å; V1016-L1018 HydrophobicContact CG1-CG 4.37Å; V1016-L1018 PolarHBondContact O-N 2.85Å
1019	P	24.1	Very low	31.1	Very low	105 Å²	105	117.7 Å²	117.7	68%	0.682	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.4	141.9	177.7	22.8	-30.8	0	0	0	109.7	I1021	P1019-I1021 PolarHBondContact O-N 2.78Å
1020	P	26.1	Very low	31.2	Very low	105 Å²	105	120 Å²	120	68%	0.682	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-60.7	124.5	-172.1	23.2	-32.5	0	0	0	110.6	I1022	P1020-I1022 VanDerWaalsContact C-N 3.31Å; P1020-I1022 HydrophobicContact CB-CG1 4.21Å; P1020-I1022 HydrophobicContact CG-CG1 4.33Å; P1020-I1022 PolarHBondContact O-N 3Å
1021	I	24.7	Very low	31.2	Very low	143 Å²	143	128.3 Å²	128.3	73%	0.733	68%	0.675	S	S	*	*			trans	-72.9	92.9	166.7	-57.6	175.5	0	0	0	106.3	P1019 F1023	P1019-I1021 PolarHBondContact O-N 2.78Å; I1021-F1023 HydrophobicContact CG2-CD2 4.26Å; I1021-F1023 HydrophobicContact CG2-CE2 3.82Å; I1021-F1023 HydrophobicContact CG2-CZ 4.16Å; I1021-F1023 PolarHBondContact O-N 2.91Å
1022	I	27.1	Very low	31.4	Very low	138 Å²	138	126.8 Å²	126.8	71%	0.708	68%	0.676	S	S	*	*			trans	-78.1	101.4	179.4	-57.3	172.6	0	0	0	108.2	P1020 K1024	P1020-I1022 VanDerWaalsContact C-N 3.31Å; P1020-I1022 HydrophobicContact CB-CG1 4.21Å; P1020-I1022 HydrophobicContact CG-CG1 4.33Å; P1020-I1022 PolarHBondContact O-N 3Å; I1022-K1024 PolarHBondContact O-N 3.3Å
1023	F	25.5	Very low	31.3	Very low	186 Å²	186	130.9 Å²	130.9	82%	0.816	69%	0.685	S	S	*	*			trans	-72.2	111.1	164.4	-72	-84.6	0	0	0	109.1	I1021 A1025	I1021-F1023 HydrophobicContact CG2-CD2 4.26Å; I1021-F1023 HydrophobicContact CG2-CE2 3.82Å; I1021-F1023 HydrophobicContact CG2-CZ 4.16Å; I1021-F1023 PolarHBondContact O-N 2.91Å; F1023-A1025 PolarHBondContact O-N 3.3Å; F1023-A1025 VanDerWaalsContact O-N 3.16Å
1024	K	24.3	Very low	31.3	Very low	198 Å²	198	134.8 Å²	134.8	86%	0.861	71%	0.705	S	S	*	*			trans	-82.9	89	177.8	-158.7	177.8	-171.7	178	0	109.3	I1022 K1026	I1022-K1024 PolarHBondContact O-N 3.3Å; K1024-K1026 PolarHBondContact O-N 3.07Å
1025	A	28.7	Very low	31.3	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	73%	0.728	S	S	*	*			trans	-61.8	130.7	170.2	0	0	0	0	0	109.8	F1023	F1023-A1025 PolarHBondContact O-N 3.3Å; F1023-A1025 VanDerWaalsContact O-N 3.16Å
1026	K	32.2	Very low	32	Very low	200 Å²	200	141.6 Å²	141.6	87%	0.87	74%	0.744	S	S	*	*	S	Bend	trans	-93.2	106.4	-173.7	-132.1	180	-175.3	-179.8	0	108.2	K1024	K1024-K1026 PolarHBondContact O-N 3.07Å
1027	S	33.6	Very low	32.1	Very low	82 Å²	82	143.9 Å²	143.9	57%	0.573	75%	0.754	S	S	*	*	S	Bend	trans	91	138.5	174.8	87.2	0	0	0	0	116.9	T1029	S1027-T1029 PolarHBondContact O-N 3.47Å
1028	D	44.1	Very low	32.2	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	2.5	-168.9	-79	-43.6	0	0	0	114.9
1029	T	43.6	Very low	32.4	Very low	119 Å²	119	145.1 Å²	145.1	73%	0.73	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-11.3	-177.8	45	0	0	0	0	115	S1027 R1031	S1027-T1029 PolarHBondContact O-N 3.47Å; T1029-R1031 PolarHBondContact O-N 3.04Å
1030	D	37.1	Very low	32.7	Very low	113 Å²	113	146.3 Å²	146.3	60%	0.604	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-91.7	11.1	-179.3	-76	-16.4	0	0	0	114.2	D1032	D1030-D1032 PolarHBondContact O-N 2.7Å
1031	R	38.7	Very low	32.8	Very low	217 Å²	217	152.8 Å²	152.8	82%	0.819	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-67.7	-18	178.1	-98.3	-175.8	173.9	175.8	-0.6	114.6	T1029	T1029-R1031 PolarHBondContact O-N 3.04Å
1032	D	38.2	Very low	33.2	Very low	155 Å²	155	153.3 Å²	153.3	83%	0.829	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-102.4	10.5	-172.9	-72.6	-16.8	0	0	0	115.2	D1030	D1030-D1032 PolarHBondContact O-N 2.7Å
1033	I	36.6	Very low	33.5	Very low	133 Å²	133	154.1 Å²	154.1	68%	0.682	80%	0.795	S	S	*	*			trans	-135	31.2	178.6	-38.9	177	0	0	0	114.4
1034	L	30.8	Very low	33.9	Very low	149 Å²	149	152.3 Å²	152.3	78%	0.78	79%	0.794	S	S	*	*			trans	-104.7	81.7	165.6	-69.3	173.1	0	0	0	110.2
1035	T	31.6	Very low	34.5	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	79%	0.79	S	S	*	*			trans	-78.6	116.8	169.9	47.4	0	0	0	0	111	N1037	T1035-N1037 VanDerWaalsContact C-N 3.29Å; T1035-N1037 PolarHBondContact O-N 3.29Å
1036	E	41.6	Very low	34.9	Very low	188 Å²	188	153.1 Å²	153.1	88%	0.879	79%	0.792	S	S	*	*	S	Bend	trans	26.8	6.9	150.7	-126.9	171.4	-166.5	0	0	124.4
1037	N	32.1	Very low	35	Very low	133 Å²	133	150 Å²	150	71%	0.711	79%	0.786	S	S	*	*			trans	-130.6	5.1	-176.9	-91	-21.3	0	0	0	118.1	T1035 H1039	T1035-N1037 VanDerWaalsContact C-N 3.29Å; T1035-N1037 PolarHBondContact O-N 3.29Å; N1037-H1039 VanDerWaalsContact C-N 3.32Å; N1037-H1039 PolarHBondContact O-N 3.28Å
1038	D	29.4	Very low	35.1	Very low	162 Å²	162	154.9 Å²	154.9	87%	0.866	80%	0.802	S	S	*	*			trans	-89	80.1	172	-75.1	-15.2	0	0	0	111
1039	H	30.8	Very low	34.4	Very low	158 Å²	158	155.4 Å²	155.4	73%	0.731	80%	0.802	S	S	*	*			trans	-77.6	140.3	168.5	-89.9	-65.8	0	0	0	112	N1037	N1037-H1039 VanDerWaalsContact C-N 3.32Å; N1037-H1039 PolarHBondContact O-N 3.28Å
1040	V	30.5	Very low	33.7	Very low	130 Å²	130	158.4 Å²	158.4	79%	0.788	81%	0.808	S	S	*	*			trans	77.5	109.2	153.1	-176.1	0	0	0	0	117.9
1041	L	26.7	Very low	33.4	Very low	240 Å²	240	162.5 Å²	162.5	100%	1.257	83%	0.827	S	S	*	*			trans	-145.2	0	132.6	-105.5	162.9	0	0	0	110

Retrieved 1,041 of 1,041 residues in 1995.1 ms (Link to these results)

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