A0A5K4F4F5_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4F5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 aa.

						>A0A5K4F4F5_SCHMA|A0A5K4F4F5
MLTILVHRIPKFTHTVFTFETKFSNWINGTLIGSLSLSDENSSLASCGSVQFNIVPGSNYLPVAIDGTTGTLKVIDSDYGTIKNNHNITFQVTVKNANTSLNISDDATVNILIDGKYSEEETESEITAVKRGFIVPPNTIRVTFSRVYIQDNPNYCLFDTWFIDSVIVLPPGNHSLIMNFSGPSLNNVYYGYIQYLFAYYNGTNIANNYSVNFNNLTYLNNNSSPSVFTMTSQICVSSAPANDSNDFSIMMRFKVGLFSGVSIPPIGTNLTIKMEHLSSNCPIQYDSVNFTKCPQQVEIGGIYEYSVNYFISRPIGDYVFTFTTDEYSASIGHISLTLPTTFSTYPEGYKIDTQQLVGSNFVLTTIGYVSVSNLQNPGENSTVNFCESQAIAFAGPNLAASNIITLKDTSIVNEVEKWQFFNVQLSIMPYTRAAYGIQIFTYIAGKFQVEPCSMDYLLTENNSTKKIRLITEYTVYQGRRATGTTLIGIFRNNNPWNVSYNFQIGVNLFNYPSYVLGDTVQFPIRMYSGTLTISTFVVTLPITSMVQPISTTPVSKPPVVTIEKVEPRSSQPAVNFSTVVEVRVKFVKDFVYIPVIFQLQSSSQAPGVALTSSDSNTVKNQVIPNTLTTLKLTLTLKPNVWQTIYFQLYAPGAYQEYILVRPIILSQLTSLTYISINSDSLENMVYLIIDKAYYEGIATDQTISAANELTLYIPMFTANSVRPLVNFTYNLTVNSISIFGSFIFNTTTPAAFTTAISSTCALSSPSATDVYKQMCTGGPFEFLSNMCPFERRCSFFTYWINRIVNGTAALNITNVTILTYGTDVWLSTSFSLNLTSEPRLV
					

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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	30	Very low	43.2	Very low	235 Å²	235	111.6 Å²	111.6	100%	1.158	57%	0.572	S	S	*	*				0	105.3	0	-159	174.4	-169	0	0	106.4
2	L	25.7	Very low	46	Very low	156 Å²	156	103.2 Å²	103.2	82%	0.817	53%	0.528	S	S	*	.			trans	-93.7	98.4	-178.4	-168.5	81.8	0	0	0	107.5	I4	L2-I4 HydrophobicContact CD2-CD1 3.99Å; L2-I4 HydrophobicContact CD2-CG1 3.88Å; L2-I4 HydrophobicContact CG-CG1 4.17Å; L2-I4 PolarHBondContact O-N 3.25Å
3	T	25.1	Very low	48	Very low	116 Å²	116	99.5 Å²	99.5	71%	0.712	51%	0.513	S	S	*	.			trans	-81.7	96	174.7	-47.7	0	0	0	0	107.7	L5	T3-L5 PolarHBondContact O-N 3.26Å
4	I	28	Very low	50.2	Low	123 Å²	123	100.6 Å²	100.6	63%	0.631	52%	0.515	S	S	*	.			trans	-78.6	104.6	170.3	-56	176.2	0	0	0	106.5	L2 V6	L2-I4 HydrophobicContact CD2-CD1 3.99Å; L2-I4 HydrophobicContact CD2-CG1 3.88Å; L2-I4 HydrophobicContact CG-CG1 4.17Å; L2-I4 PolarHBondContact O-N 3.25Å; I4-V6 VanDerWaalsContact C-N 3.29Å; I4-V6 HydrophobicContact CB-CG2 4.48Å; I4-V6 HydrophobicContact CG2-CG2 3.84Å; I4-V6 PolarHBondContact O-N 3.03Å
5	L	32.3	Very low	52.4	Low	134 Å²	134	101 Å²	101	70%	0.702	52%	0.524	S	S	*	.			trans	-68.5	91.1	165.6	-94.5	146.2	0	0	0	107.7	T3 H7	T3-L5 PolarHBondContact O-N 3.26Å; L5-H7 PolarHBondContact O-N 3.21Å; L5-H7 VanDerWaalsContact O-N 3.1Å
6	V	36.4	Very low	54.5	Low	93 Å²	93	98.9 Å²	98.9	56%	0.564	52%	0.517	S	S	*	.			trans	-75.5	97.2	171.6	-169.2	0	0	0	0	107	I4 R8	I4-V6 VanDerWaalsContact C-N 3.29Å; I4-V6 HydrophobicContact CB-CG2 4.48Å; I4-V6 HydrophobicContact CG2-CG2 3.84Å; I4-V6 PolarHBondContact O-N 3.03Å; V6-R8 PolarHBondContact O-N 3.42Å
7	H	45.1	Very low	56.4	Low	101 Å²	101	94.1 Å²	94.1	47%	0.468	49%	0.491	S	S	.	.			trans	-66.7	118.9	172.2	-73.2	-74.5	0	0	0	109	L5 I9 L101	L5-H7 PolarHBondContact O-N 3.21Å; L5-H7 VanDerWaalsContact O-N 3.1Å; H7-I9 PolarHBondContact O-N 2.98Å; H7-L101 HydrophobicContact CB-CD1 4.36Å
8	R	54.1	Low	58.2	Low	51 Å²	51	93.2 Å²	93.2	19%	0.192	49%	0.49	C	S	.	.			trans	-65.4	134.1	173.8	-80.5	-168.4	-179.5	-172	5.4	110.1	V6 D39 S42 A45 C47	V6-R8 PolarHBondContact O-N 3.42Å; R8-D39 IonicContact CZ-OD1 2.8Å; R8-D39 IonicContact CZ-OD2 3.89Å; R8-D39 VanDerWaalsContact CZ-OD2 3.29Å; R8-D39 IonicContact NE-OD1 2.74Å; R8-D39 PolarHBondContact NE-OD1 2.64Å; R8-D39 IonicContact NH1-OD1 3.67Å; R8-D39 PolarHBondContact NH1-OD1 3.14Å; R8-D39 IonicContact NH1-OD2 2.71Å; R8-D39 PolarHBondContact NH1-OD2 3.19Å; R8-D39 IonicContact NH2-OD1 3.63Å; R8-D39 PolarHBondContact NH2-OD1 3.29Å; R8-D39 IonicContact NH2-OD2 3.44Å; R8-D39 PolarHBondContact NH2-OD2 3.32Å; R8-S42 PolarHBondContact NH2-O 2.88Å; R8-A45 HydrophobicContact CG-CB 3.95Å; R8-A45 VanDerWaalsContact CZ-O 3.31Å; R8-A45 PolarHBondContact NH2-O 3.23Å; R8-C47 PolarHBondContact NH1-SG 3.31Å
9	I	61.2	Low	59.6	Low	90 Å²	90	90.1 Å²	90.1	46%	0.462	47%	0.472	S	S	.	.			trans	-98.6	113.6	173.2	-61.6	179.1	0	0	0	106.8	H7 K11 I103	H7-I9 PolarHBondContact O-N 2.98Å; I9-K11 HydrophobicContact CG2-CG 4.32Å; I9-K11 PolarHBondContact O-N 3.45Å; I9-I103 HydrophobicContact CB-CG2 4.11Å; I9-I103 HydrophobicContact CD1-CD1 4.41Å; I9-I103 HydrophobicContact CD1-CG2 4.36Å; I9-I103 HydrophobicContact CG1-CD1 4.1Å; I9-I103 HydrophobicContact CG1-CG2 4Å; I9-I103 HydrophobicContact CG2-CG2 3.36Å
10	P	67	Low	60.7	Low	13 Å²	13	93.8 Å²	93.8	8%	0.084	49%	0.487	C	S	.	.			trans	-65.2	125.3	175.4	28.2	-32.4	0	0	0	109	L37 V50 V94 N96 D105	P10-L37 HydrophobicContact CB-CD1 4.39Å; P10-V50 HydrophobicContact CB-CG1 3.82Å; P10-V50 HydrophobicContact CG-CG1 4.33Å; P10-V94 HydrophobicContact CB-CG1 3.98Å; P10-V94 HydrophobicContact CB-CG2 3.82Å; P10-V94 HydrophobicContact CG-CG1 4.4Å; P10-V94 HydrophobicContact CG-CG2 4.33Å; P10-N96 HydrophobicContact CG-CB 4.42Å; P10-D105 WeakPolarHBondContact O-CB 3.45Å
11	K	70.4	Confident	61.6	Low	116 Å²	116	90.3 Å²	90.3	50%	0.504	47%	0.47	S	S	.	.			trans	-127.1	139.4	174.3	-84.1	-170.5	172	-173.4	0	110.2	I9 L37 S38 D105	I9-K11 HydrophobicContact CG2-CG 4.32Å; I9-K11 PolarHBondContact O-N 3.45Å; K11-L37 CarbonylContact O-C 3.53Å; K11-L37 WeakPolarHBondContact O-CA 3.48Å; K11-L37 WeakPolarHBondContact O-CB 3.25Å; K11-L37 WeakPolarHBondContact O-CD2 3.41Å; K11-S38 WeakPolarHBondContact CB-OG 3.41Å; K11-S38 PolarHBondContact O-N 2.84Å; K11-S38 PolarHBondContact O-OG 3.47Å; K11-D105 VanDerWaalsContact CA-OD2 3.25Å; K11-D105 WeakPolarHBondContact CA-OD2 3.43Å; K11-D105 HydrophobicContact CG-CB 4.38Å
12	F	77.3	Confident	63.8	Low	10 Å²	10	85.3 Å²	85.3	4%	0.044	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-65.1	152.9	170	-70.2	-71.6	0	0	0	110.9	H14 F17 L35 S36 L37 S38 F52 V92 V94 D105 A107	F12-H14 VanDerWaalsContact C-N 3.3Å; F12-H14 VanDerWaalsContact CB-O 3.27Å; F12-H14 WeakPolarHBondContact CB-O 3.16Å; F12-F17 HydrophobicContact CB-CE2 4.05Å; F12-F17 HydrophobicContact CB-CZ 4.29Å; F12-F17 AromaticContact CD1-CE2 3.92Å; F12-F17 HydrophobicContact CD1-CE2 3.92Å; F12-F17 HydrophobicContact CD1-CZ 4.23Å; F12-F17 HydrophobicContact CG-CE2 4.18Å; F12-L35 HydrophobicContact CD1-CB 4.24Å; F12-L35 HydrophobicContact CE1-CB 3.82Å; F12-L35 HydrophobicContact CE1-CD1 3.83Å; F12-L35 HydrophobicContact CE1-CG 4.46Å; F12-L35 HydrophobicContact CZ-CD1 4.23Å; F12-S36 WeakPolarHBondContact CA-O 3.24Å; F12-L37 HydrophobicContact CD1-CD2 3.84Å; F12-L37 HydrophobicContact CE1-CD2 4.16Å; F12-L37 HydrophobicContact CG-CD2 4.32Å; F12-S38 PolarHBondContact O-OG 3.3Å; F12-F52 AromaticContact CE1-CD1 3.95Å; F12-F52 HydrophobicContact CE1-CD1 3.95Å; F12-F52 AromaticContact CE1-CE1 3.78Å; F12-F52 HydrophobicContact CE1-CE1 3.78Å; F12-F52 HydrophobicContact CZ-CD1 4.17Å; F12-F52 HydrophobicContact CZ-CE1 4.38Å; F12-V92 HydrophobicContact CZ-CB 4.47Å; F12-V92 HydrophobicContact CZ-CG1 4.11Å; F12-V94 HydrophobicContact CD2-CG1 3.99Å; F12-V94 HydrophobicContact CE1-CB 4.26Å; F12-V94 HydrophobicContact CE1-CG1 4.37Å; F12-V94 HydrophobicContact CE2-CB 3.99Å; F12-V94 HydrophobicContact CE2-CG1 3.67Å; F12-V94 HydrophobicContact CG-CG1 4.49Å; F12-V94 HydrophobicContact CZ-CB 3.72Å; F12-V94 HydrophobicContact CZ-CG1 3.87Å; F12-D105 HydrophobicContact CD2-CB 4.32Å; F12-D105 VanDerWaalsContact CE2-O 3.28Å; F12-D105 WeakPolarHBondContact CE2-O 3.46Å; F12-D105 PolarHBondContact N-OD2 3.3Å; F12-A107 HydrophobicContact CB-CB 4.16Å; F12-A107 HydrophobicContact CD1-CB 4.25Å; F12-A107 HydrophobicContact CD2-CB 3.45Å; F12-A107 VanDerWaalsContact CD2-CB 3.45Å; F12-A107 HydrophobicContact CE2-CB 3.77Å; F12-A107 HydrophobicContact CG-CB 3.7Å; F12-A107 HydrophobicContact CZ-CB 4.33Å
13	T	72	Confident	66.1	Low	55 Å²	55	79.5 Å²	79.5	34%	0.337	41%	0.41	S	S	.	.	S	Bend	trans	-69.2	-32.9	171.8	49.8	0	0	0	0	111.9	F17 S36 L37	T13-F17 WeakPolarHBondContact OG1-CZ 3.16Å; T13-S36 PolarHBondContact N-O 2.84Å; T13-S36 PolarHBondContact OG1-O 2.84Å; T13-S36 PolarHBondContact OG1-OG 3.42Å; T13-L37 WeakPolarHBondContact CG2-O 3.26Å
14	H	78.1	Confident	68.3	Low	115 Å²	115	77.7 Å²	77.7	53%	0.532	40%	0.402	S	S	.	.			trans	-133.9	148.4	-179.3	-56.5	82.1	0	0	0	109.2	F12 V16 F17	F12-H14 VanDerWaalsContact C-N 3.3Å; F12-H14 VanDerWaalsContact CB-O 3.27Å; F12-H14 WeakPolarHBondContact CB-O 3.16Å; H14-V16 VanDerWaalsContact C-N 3.3Å; H14-V16 WeakPolarHBondContact CB-O 3.41Å; H14-F17 HydrophobicContact CB-CE1 4.21Å; H14-F17 HydrophobicContact CB-CE2 4.24Å; H14-F17 HydrophobicContact CB-CZ 4.03Å; H14-F17 AromaticContact ND1-CE1 3.93Å; H14-F17 WeakPolarHBondContact O-CE2 3.37Å
15	T	82.8	Confident	70.4	Confident	107 Å²	107	76 Å²	76	66%	0.656	39%	0.394	S	S	*	.	S	Bend	trans	-80	-16.8	172.9	52.3	0	0	0	0	112.4	A107 T108	T15-A107 WeakPolarHBondContact O-CA 3.29Å; T15-T108 PolarHBondContact O-N 2.92Å
16	V	86.9	Confident	72.4	Confident	68 Å²	68	69.7 Å²	69.7	41%	0.412	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.3	177.3	-174.6	0	0	0	0	109.2	H14 T108 N110	H14-V16 VanDerWaalsContact C-N 3.3Å; H14-V16 WeakPolarHBondContact CB-O 3.41Å; V16-T108 CarbonylContact C-O 3.5Å; V16-T108 VanDerWaalsContact CA-O 3.29Å; V16-T108 WeakPolarHBondContact CA-O 3.35Å; V16-N110 VanDerWaalsContact CG1-ND2 3.33Å; V16-N110 WeakPolarHBondContact CG1-ND2 3.34Å
17	F	86.2	Confident	74.2	Confident	17 Å²	17	70.6 Å²	70.6	8%	0.075	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.8	172.5	-66.8	-91.6	0	0	0	109.2	F12 T13 H14 F19 L35 A107 T108 V109 N110	F12-F17 HydrophobicContact CB-CE2 4.05Å; F12-F17 HydrophobicContact CB-CZ 4.29Å; F12-F17 AromaticContact CD1-CE2 3.92Å; F12-F17 HydrophobicContact CD1-CE2 3.92Å; F12-F17 HydrophobicContact CD1-CZ 4.23Å; F12-F17 HydrophobicContact CG-CE2 4.18Å; T13-F17 WeakPolarHBondContact OG1-CZ 3.16Å; H14-F17 HydrophobicContact CB-CE1 4.21Å; H14-F17 HydrophobicContact CB-CE2 4.24Å; H14-F17 HydrophobicContact CB-CZ 4.03Å; H14-F17 AromaticContact ND1-CE1 3.93Å; H14-F17 WeakPolarHBondContact O-CE2 3.37Å; F17-F19 HydrophobicContact CB-CE2 3.69Å; F17-F19 HydrophobicContact CB-CZ 4.09Å; F17-F19 HydrophobicContact CD1-CZ 4.45Å; F17-L35 HydrophobicContact CB-CD2 4.01Å; F17-L35 HydrophobicContact CD1-CD2 4.18Å; F17-L35 HydrophobicContact CD2-CD2 3.71Å; F17-L35 HydrophobicContact CE2-CD2 4.19Å; F17-L35 HydrophobicContact CG-CD2 3.7Å; F17-A107 HydrophobicContact CD2-CB 3.97Å; F17-A107 HydrophobicContact CE2-CB 3.82Å; F17-T108 PolarHBondContact N-O 2.81Å; F17-V109 CarbonylContact O-C 3.58Å; F17-V109 WeakPolarHBondContact O-CA 3.48Å; F17-N110 PolarHBondContact O-N 3.29Å
18	T	88.3	Confident	75.8	Confident	78 Å²	78	70.6 Å²	70.6	48%	0.479	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.6	176.5	-56.8	0	0	0	0	109.2	N110 L112	T18-N110 CarbonylContact C-O 3.51Å; T18-N110 WeakPolarHBondContact CA-O 3.4Å; T18-N110 HydrophobicContact CG2-CB 4.26Å; T18-L112 HydrophobicContact CG2-CD1 3.82Å; T18-L112 HydrophobicContact CG2-CG 4.22Å
19	F	84.8	Confident	76.8	Confident	34 Å²	34	70.2 Å²	70.2	15%	0.149	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.9	176.7	-59.6	-79.8	0	0	0	109.4	F17 I32 L35 L72 V109 N110 I111 L112	F17-F19 HydrophobicContact CB-CE2 3.69Å; F17-F19 HydrophobicContact CB-CZ 4.09Å; F17-F19 HydrophobicContact CD1-CZ 4.45Å; F19-I32 HydrophobicContact CB-CG2 3.83Å; F19-I32 HydrophobicContact CG-CG2 4.27Å; F19-L35 HydrophobicContact CE2-CD2 4.13Å; F19-L35 HydrophobicContact CZ-CD2 4.27Å; F19-L72 HydrophobicContact CD2-CD1 3.79Å; F19-L72 HydrophobicContact CE2-CD1 3.42Å; F19-L72 VanDerWaalsContact CE2-CD1 3.42Å; F19-L72 HydrophobicContact CZ-CD1 4.08Å; F19-V109 HydrophobicContact CD2-CG1 3.93Å; F19-V109 HydrophobicContact CE2-CG1 3.94Å; F19-N110 PolarHBondContact N-O 3.42Å; F19-I111 HydrophobicContact CB-CG1 4.45Å; F19-I111 CarbonylContact O-C 3.51Å; F19-I111 VanDerWaalsContact O-CA 3.28Å; F19-I111 WeakPolarHBondContact O-CA 3.5Å; F19-L112 PolarHBondContact O-N 2.98Å
20	E	83.2	Confident	77.7	Confident	163 Å²	163	68.3 Å²	68.3	76%	0.762	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.8	175.4	-66.3	-178.1	176.7	0	0	109.3	L112	E20-L112 WeakPolarHBondContact CA-O 3.34Å; E20-L112 HydrophobicContact CG-CB 4.22Å; E20-L112 HydrophobicContact CG-CD1 4.26Å
21	T	78.5	Confident	78.3	Confident	22 Å²	22	72.3 Å²	72.3	14%	0.135	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.5	-177.4	179.4	0	0	0	0	110.6	W26 I111 L112 I113 D114	T21-W26 HydrophobicContact CG2-CZ2 3.95Å; T21-W26 PolarHBondContact OG1-NE1 3.47Å; T21-I111 HydrophobicContact CG2-CG2 3.71Å; T21-L112 PolarHBondContact N-O 2.79Å; T21-I113 HydrophobicContact CG2-CG1 4.24Å; T21-I113 WeakPolarHBondContact O-CA 3.3Å; T21-D114 PolarHBondContact O-N 3.24Å; T21-D114 VanDerWaalsContact O-N 3.1Å
22	K	76.7	Confident	78.7	Confident	130 Å²	130	67.9 Å²	67.9	57%	0.565	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.9	174.1	-64.4	-174.3	178.4	-174.6	0	109.8	S24 N25	K22-S24 WeakPolarHBondContact CB-OG 3.22Å; K22-S24 PolarHBondContact O-N 2.95Å; K22-S24 VanDerWaalsContact O-N 3.17Å; K22-N25 PolarHBondContact O-N 2.66Å
23	F	73.1	Confident	79	Confident	33 Å²	33	68 Å²	68	15%	0.145	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.8	176.1	-143.5	-62.3	0	0	0	111.9	N25 W26 Y79 I82 I113	F23-N25 PolarHBondContact O-N 3.21Å; F23-N25 VanDerWaalsContact O-N 3.13Å; F23-W26 PolarHBondContact O-N 2.84Å; F23-Y79 AromaticContact CD1-CD1 3.53Å; F23-Y79 HydrophobicContact CD1-CD1 3.53Å; F23-Y79 AromaticContact CD1-CE1 3.17Å; F23-Y79 HydrophobicContact CD1-CE1 3.17Å; F23-Y79 HydrophobicContact CD1-CG 4.46Å; F23-Y79 AromaticContact CD1-CZ 3.89Å; F23-Y79 AromaticContact CE1-CD1 2.99Å; F23-Y79 HydrophobicContact CE1-CD1 2.99Å; F23-Y79 HydrophobicContact CE1-CD2 4.34Å; F23-Y79 AromaticContact CE1-CE1 3.17Å; F23-Y79 HydrophobicContact CE1-CE1 3.17Å; F23-Y79 HydrophobicContact CE1-CE2 4.48Å; F23-Y79 AromaticContact CE1-CG 3.61Å; F23-Y79 HydrophobicContact CE1-CG 3.61Å; F23-Y79 AromaticContact CE1-CZ 3.93Å; F23-Y79 HydrophobicContact CG-CE1 4.38Å; F23-Y79 AromaticContact CZ-CD1 3.82Å; F23-Y79 HydrophobicContact CZ-CD1 3.82Å; F23-Y79 HydrophobicContact CZ-CE1 4.33Å; F23-Y79 HydrophobicContact CZ-CG 4.33Å; F23-I82 HydrophobicContact CD2-CG2 4.36Å; F23-I82 HydrophobicContact CE1-CD1 4.47Å; F23-I82 HydrophobicContact CE2-CB 3.9Å; F23-I82 HydrophobicContact CE2-CG2 3.5Å; F23-I82 HydrophobicContact CZ-CB 3.62Å; F23-I82 HydrophobicContact CZ-CD1 4.27Å; F23-I82 HydrophobicContact CZ-CG2 3.71Å; F23-I113 HydrophobicContact CB-CG2 4.17Å; F23-I113 HydrophobicContact CD2-CG2 3.71Å; F23-I113 HydrophobicContact CG-CG2 4.22Å
24	S	72.2	Confident	79.4	Confident	79 Å²	79	68.8 Å²	68.8	55%	0.552	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-58.8	-23.2	175.6	60	0	0	0	0	114.5	K22	K22-S24 WeakPolarHBondContact CB-OG 3.22Å; K22-S24 PolarHBondContact O-N 2.95Å; K22-S24 VanDerWaalsContact O-N 3.17Å
25	N	71.1	Confident	79.5	Confident	86 Å²	86	63.7 Å²	63.7	46%	0.46	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-97	-2	-175.6	-62.3	-2.9	0	0	0	112.5	K22 F23 I27 T30	K22-N25 PolarHBondContact O-N 2.66Å; F23-N25 PolarHBondContact O-N 3.21Å; F23-N25 VanDerWaalsContact O-N 3.13Å; N25-I27 VanDerWaalsContact C-N 3.34Å; N25-I27 PolarHBondContact O-N 2.91Å; N25-T30 WeakPolarHBondContact O-CB 3.19Å; N25-T30 VanDerWaalsContact O-CG2 3.29Å; N25-T30 WeakPolarHBondContact O-CG2 3.28Å; N25-T30 PolarHBondContact O-OG1 3.26Å
26	W	75.3	Confident	79.1	Confident	3 Å²	3	61 Å²	61	1%	0.011	35%	0.346	C	S	.	.			trans	-85.2	75.3	-175.2	-87.3	36.7	0	0	0	112.2	T21 F23 I32 P62 V63 V74 S77 I82 I88 I111 I113	T21-W26 HydrophobicContact CG2-CZ2 3.95Å; T21-W26 PolarHBondContact OG1-NE1 3.47Å; F23-W26 PolarHBondContact O-N 2.84Å; W26-I32 HydrophobicContact CZ2-CD1 4.35Å; W26-P62 HydrophobicContact CE3-CG 4.14Å; W26-P62 HydrophobicContact CH2-CG 4.36Å; W26-P62 HydrophobicContact CZ3-CG 3.49Å; W26-P62 VanDerWaalsContact CZ3-CG 3.49Å; W26-V63 HydrophobicContact CH2-CG2 4.1Å; W26-V63 HydrophobicContact CZ2-CG2 4.48Å; W26-V74 HydrophobicContact CD2-CG2 4.09Å; W26-V74 HydrophobicContact CG-CG2 4.11Å; W26-S77 WeakPolarHBondContact O-CB 3.08Å; W26-I82 HydrophobicContact CE3-CD1 3.38Å; W26-I82 HydrophobicContact CE3-CG1 4.11Å; W26-I82 HydrophobicContact CE3-CG2 4.2Å; W26-I82 HydrophobicContact CZ3-CB 4.49Å; W26-I82 HydrophobicContact CZ3-CD1 3.6Å; W26-I82 HydrophobicContact CZ3-CG1 3.8Å; W26-I82 HydrophobicContact CZ3-CG2 3.82Å; W26-I88 HydrophobicContact CH2-CD1 3.53Å; W26-I88 HydrophobicContact CH2-CG1 4.35Å; W26-I88 HydrophobicContact CZ3-CD1 4.08Å; W26-I111 HydrophobicContact CZ2-CG2 3.9Å; W26-I113 HydrophobicContact CE3-CD1 4.34Å; W26-I113 HydrophobicContact CH2-CD1 3.19Å; W26-I113 HydrophobicContact CH2-CG1 3.97Å; W26-I113 HydrophobicContact CZ2-CD1 3.43Å; W26-I113 VanDerWaalsContact CZ2-CD1 3.43Å; W26-I113 HydrophobicContact CZ2-CG1 3.68Å; W26-I113 HydrophobicContact CZ3-CD1 3.69Å
27	I	74.5	Confident	78.2	Confident	111 Å²	111	60.5 Å²	60.5	57%	0.569	34%	0.341	S	S	*	.			trans	-103.8	142.9	170	-55.1	170.9	0	0	0	108.1	N25 G29 T30	N25-I27 VanDerWaalsContact C-N 3.34Å; N25-I27 PolarHBondContact O-N 2.91Å; I27-G29 PolarHBondContact O-N 3Å; I27-T30 PolarHBondContact N-OG1 2.9Å; I27-T30 VanDerWaalsContact O-CB 3.23Å; I27-T30 WeakPolarHBondContact O-CB 3.33Å; I27-T30 PolarHBondContact O-N 2.99Å; I27-T30 PolarHBondContact O-OG1 2.88Å
28	N	79	Confident	77.1	Confident	101 Å²	101	62 Å²	62	54%	0.54	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	127.9	175.8	-166.2	-8.8	0	0	0	111.2	V74 I75	N28-V74 PolarHBondContact OD1-O 3.43Å; N28-I75 PolarHBondContact ND2-O 3.19Å; N28-I75 VanDerWaalsContact ND2-O 3.07Å; N28-I75 VanDerWaalsContact OD1-CA 3.31Å; N28-I75 WeakPolarHBondContact OD1-CA 3.26Å; N28-I75 PolarHBondContact OD1-O 3.46Å
29	G	74.1	Confident	75.4	Confident	44 Å²	44	61.3 Å²	61.3	45%	0.454	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-8.6	-175.5	0	0	0	0	0	115.7	I27 V74	I27-G29 PolarHBondContact O-N 3Å; G29-V74 WeakPolarHBondContact CA-O 3.45Å; G29-V74 PolarHBondContact N-O 3.28Å
30	T	80.1	Confident	73.3	Confident	49 Å²	49	68 Å²	68	30%	0.301	38%	0.378	S	S	.	.			trans	-65.7	135.7	-178.2	-53.5	0	0	0	0	111.5	N25 I27 K73 V74	N25-T30 WeakPolarHBondContact O-CB 3.19Å; N25-T30 VanDerWaalsContact O-CG2 3.29Å; N25-T30 WeakPolarHBondContact O-CG2 3.28Å; N25-T30 PolarHBondContact O-OG1 3.26Å; I27-T30 PolarHBondContact N-OG1 2.9Å; I27-T30 VanDerWaalsContact O-CB 3.23Å; I27-T30 WeakPolarHBondContact O-CB 3.33Å; I27-T30 PolarHBondContact O-N 2.99Å; I27-T30 PolarHBondContact O-OG1 2.88Å; T30-K73 VanDerWaalsContact O-CA 3.3Å; T30-K73 WeakPolarHBondContact O-CA 3.42Å; T30-V74 PolarHBondContact O-N 3.21Å
31	L	79.3	Confident	71.1	Confident	97 Å²	97	67.1 Å²	67.1	51%	0.508	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.4	176.4	176	65.1	0	0	0	110.6	G33 T71	L31-G33 WeakPolarHBondContact CD1-O 3.27Å; L31-T71 HydrophobicContact CD1-CG2 3.09Å
32	I	79.9	Confident	69.1	Low	24 Å²	24	67.6 Å²	67.6	12%	0.123	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-41.4	174.1	-54.7	176.7	0	0	0	110.2	F19 W26 V63 L72 V74 I111	F19-I32 HydrophobicContact CB-CG2 3.83Å; F19-I32 HydrophobicContact CG-CG2 4.27Å; W26-I32 HydrophobicContact CZ2-CD1 4.35Å; I32-V63 HydrophobicContact CD1-CB 4.24Å; I32-V63 HydrophobicContact CD1-CG1 3.68Å; I32-V63 HydrophobicContact CD1-CG2 3.54Å; I32-L72 HydrophobicContact CB-CB 4.16Å; I32-L72 PolarHBondContact N-O 2.78Å; I32-V74 HydrophobicContact CD1-CG2 3.84Å; I32-V74 HydrophobicContact CG1-CG2 3.98Å; I32-I111 HydrophobicContact CD1-CD1 4.01Å; I32-I111 HydrophobicContact CG2-CD1 4.21Å; I32-I111 HydrophobicContact CG2-CG1 4.38Å; I32-I111 HydrophobicContact CG2-CG2 4.05Å
33	G	81.9	Confident	67.1	Low	13 Å²	13	65.2 Å²	65.2	13%	0.134	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-171.1	-177.6	0	0	0	0	0	112.2	L31 L72	L31-G33 WeakPolarHBondContact CD1-O 3.27Å; G33-L72 PolarHBondContact O-N 2.77Å
34	S	82	Confident	65	Low	70 Å²	70	71.4 Å²	71.4	49%	0.49	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.5	177.5	58.7	0	0	0	0	111
35	L	79.9	Confident	63.2	Low	8 Å²	8	69 Å²	69	4%	0.042	40%	0.401	C	S	.	.			trans	-79.1	135.3	174	-51.9	-178.1	0	0	0	110.1	F12 F17 F19 F52 I65 G70 L72 V92 V109	F12-L35 HydrophobicContact CD1-CB 4.24Å; F12-L35 HydrophobicContact CE1-CB 3.82Å; F12-L35 HydrophobicContact CE1-CD1 3.83Å; F12-L35 HydrophobicContact CE1-CG 4.46Å; F12-L35 HydrophobicContact CZ-CD1 4.23Å; F17-L35 HydrophobicContact CB-CD2 4.01Å; F17-L35 HydrophobicContact CD1-CD2 4.18Å; F17-L35 HydrophobicContact CD2-CD2 3.71Å; F17-L35 HydrophobicContact CE2-CD2 4.19Å; F17-L35 HydrophobicContact CG-CD2 3.7Å; F19-L35 HydrophobicContact CE2-CD2 4.13Å; F19-L35 HydrophobicContact CZ-CD2 4.27Å; L35-F52 HydrophobicContact CB-CE1 4.41Å; L35-I65 HydrophobicContact CD1-CD1 3.49Å; L35-I65 VanDerWaalsContact CD1-CD1 3.49Å; L35-I65 HydrophobicContact CG-CD1 4.22Å; L35-G70 PolarHBondContact N-O 2.82Å; L35-L72 HydrophobicContact CD2-CD1 4.27Å; L35-V92 HydrophobicContact CD1-CB 3.79Å; L35-V92 HydrophobicContact CD1-CG1 3.59Å; L35-V92 HydrophobicContact CD1-CG2 3.94Å; L35-V109 HydrophobicContact CD1-CG2 4.17Å; L35-V109 HydrophobicContact CD2-CG2 3.65Å
36	S	73.4	Confident	61.5	Low	51 Å²	51	70 Å²	70	36%	0.357	42%	0.415	S	S	.	.			trans	-110.7	149	-177.8	40.9	0	0	0	0	111.8	F12 T13	F12-S36 WeakPolarHBondContact CA-O 3.24Å; T13-S36 PolarHBondContact N-O 2.84Å; T13-S36 PolarHBondContact OG1-O 2.84Å; T13-S36 PolarHBondContact OG1-OG 3.42Å
37	L	68.8	Low	59.8	Low	58 Å²	58	72.6 Å²	72.6	30%	0.304	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-107.2	144.1	178.1	-58.8	177.6	0	0	0	111.3	P10 K11 F12 T13 V50 F52 V94	P10-L37 HydrophobicContact CB-CD1 4.39Å; K11-L37 CarbonylContact O-C 3.53Å; K11-L37 WeakPolarHBondContact O-CA 3.48Å; K11-L37 WeakPolarHBondContact O-CB 3.25Å; K11-L37 WeakPolarHBondContact O-CD2 3.41Å; F12-L37 HydrophobicContact CD1-CD2 3.84Å; F12-L37 HydrophobicContact CE1-CD2 4.16Å; F12-L37 HydrophobicContact CG-CD2 4.32Å; T13-L37 WeakPolarHBondContact CG2-O 3.26Å; L37-V50 HydrophobicContact CD1-CB 4.5Å; L37-V50 HydrophobicContact CD1-CG1 4.24Å; L37-V50 HydrophobicContact CD1-CG2 4.07Å; L37-F52 HydrophobicContact CD1-CE1 4.47Å; L37-F52 HydrophobicContact CD1-CZ 3.94Å; L37-F52 HydrophobicContact CD2-CE1 4.04Å; L37-F52 HydrophobicContact CD2-CZ 4.31Å; L37-F52 HydrophobicContact CG-CE1 4.29Å; L37-F52 HydrophobicContact CG-CZ 4.09Å; L37-V94 HydrophobicContact CD1-CG2 4.1Å; L37-V94 HydrophobicContact CD2-CB 4.13Å; L37-V94 HydrophobicContact CD2-CG1 3.79Å; L37-V94 HydrophobicContact CD2-CG2 3.94Å
38	S	62.2	Low	58.6	Low	49 Å²	49	68.6 Å²	68.6	34%	0.343	42%	0.419	S	S	.	.			trans	-86.4	127.4	173.6	51.9	0	0	0	0	110.3	K11 F12	K11-S38 WeakPolarHBondContact CB-OG 3.41Å; K11-S38 PolarHBondContact O-N 2.84Å; K11-S38 PolarHBondContact O-OG 3.47Å; F12-S38 PolarHBondContact O-OG 3.3Å
39	D	53	Low	57.6	Low	63 Å²	63	67 Å²	67	34%	0.337	42%	0.416	S	S	.	.			trans	-109.3	45.5	-172.3	-160.5	19.3	0	0	0	114.1	R8 N41	R8-D39 IonicContact CZ-OD1 2.8Å; R8-D39 IonicContact CZ-OD2 3.89Å; R8-D39 VanDerWaalsContact CZ-OD2 3.29Å; R8-D39 IonicContact NE-OD1 2.74Å; R8-D39 PolarHBondContact NE-OD1 2.64Å; R8-D39 IonicContact NH1-OD1 3.67Å; R8-D39 PolarHBondContact NH1-OD1 3.14Å; R8-D39 IonicContact NH1-OD2 2.71Å; R8-D39 PolarHBondContact NH1-OD2 3.19Å; R8-D39 IonicContact NH2-OD1 3.63Å; R8-D39 PolarHBondContact NH2-OD1 3.29Å; R8-D39 IonicContact NH2-OD2 3.44Å; R8-D39 PolarHBondContact NH2-OD2 3.32Å; D39-N41 VanDerWaalsContact C-N 3.35Å; D39-N41 PolarHBondContact O-N 3.23Å
40	E	40.6	Very low	57.4	Low	175 Å²	175	66.7 Å²	66.7	82%	0.818	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.6	-164.8	-77	-158	157.9	0	0	116.8
41	N	37.8	Very low	57.3	Low	143 Å²	143	68.5 Å²	68.5	77%	0.765	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	20.1	-163.4	-85.5	-38.5	0	0	0	120.4	D39	D39-N41 VanDerWaalsContact C-N 3.35Å; D39-N41 PolarHBondContact O-N 3.23Å
42	S	36.4	Very low	57.5	Low	33 Å²	33	64.3 Å²	64.3	23%	0.231	39%	0.388	C	S	.	.			trans	-162.3	115.4	163	170.4	0	0	0	0	112.7	R8 L44 A45	R8-S42 PolarHBondContact NH2-O 2.88Å; S42-L44 PolarHBondContact O-N 2.84Å; S42-L44 VanDerWaalsContact O-N 3.1Å; S42-L44 PolarHBondContact OG-N 3.43Å; S42-A45 WeakPolarHBondContact OG-CB 3.39Å; S42-A45 PolarHBondContact OG-N 2.87Å; S42-A45 VanDerWaalsContact OG-N 3.09Å
43	S	33.5	Very low	57.7	Low	80 Å²	80	65.7 Å²	65.7	56%	0.559	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-2.1	176.1	51.3	0	0	0	0	114.7
44	L	30.3	Very low	57.8	Low	162 Å²	162	66.3 Å²	66.3	85%	0.848	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	2.8	-169.1	-73.7	167.5	0	0	0	115.7	S42	S42-L44 PolarHBondContact O-N 2.84Å; S42-L44 VanDerWaalsContact O-N 3.1Å; S42-L44 PolarHBondContact OG-N 3.43Å
45	A	33.3	Very low	57.9	Low	28 Å²	28	65.1 Å²	65.1	23%	0.231	39%	0.385	C	S	.	.			trans	-88.3	117	175.6	0	0	0	0	0	110.3	R8 S42 C47	R8-A45 HydrophobicContact CG-CB 3.95Å; R8-A45 VanDerWaalsContact CZ-O 3.31Å; R8-A45 PolarHBondContact NH2-O 3.23Å; S42-A45 WeakPolarHBondContact OG-CB 3.39Å; S42-A45 PolarHBondContact OG-N 2.87Å; S42-A45 VanDerWaalsContact OG-N 3.09Å; A45-C47 PolarHBondContact O-N 3.09Å
46	S	35.6	Very low	57.6	Low	107 Å²	107	70.8 Å²	70.8	75%	0.748	42%	0.422	S	S	*	.			trans	-48.8	121.1	166.3	52	0	0	0	0	109	G48	S46-G48 VanDerWaalsContact C-N 3.32Å; S46-G48 PolarHBondContact O-N 2.86Å
47	C	41.1	Very low	57.4	Low	59 Å²	59	72.2 Å²	72.2	40%	0.399	45%	0.445	S	S	.	.			trans	-53.7	100.8	170.9	-71	0	0	0	0	108	R8 A45	R8-C47 PolarHBondContact NH1-SG 3.31Å; A45-C47 PolarHBondContact O-N 3.09Å
48	G	47.7	Very low	57.3	Low	27 Å²	27	70.6 Å²	70.6	28%	0.278	44%	0.439	S	S	.	.			trans	-57.1	143.2	169.2	0	0	0	0	0	107.7	S46 V50	S46-G48 VanDerWaalsContact C-N 3.32Å; S46-G48 PolarHBondContact O-N 2.86Å; G48-V50 PolarHBondContact O-N 3.43Å
49	S	58.6	Low	57.4	Low	68 Å²	68	75.5 Å²	75.5	48%	0.476	46%	0.461	S	S	.	.			trans	-41.1	102.4	176.2	-48.7	0	0	0	0	110	A97	S49-A97 WeakPolarHBondContact O-CA 3.5Å; S49-A97 WeakPolarHBondContact O-CB 3.32Å; S49-A97 PolarHBondContact O-N 3.01Å
50	V	69.8	Low	57.8	Low	36 Å²	36	77.1 Å²	77.1	22%	0.218	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.3	172.7	-75.7	0	0	0	0	108.4	P10 L37 G48 F52 V94 K95	P10-V50 HydrophobicContact CB-CG1 3.82Å; P10-V50 HydrophobicContact CG-CG1 4.33Å; L37-V50 HydrophobicContact CD1-CB 4.5Å; L37-V50 HydrophobicContact CD1-CG1 4.24Å; L37-V50 HydrophobicContact CD1-CG2 4.07Å; G48-V50 PolarHBondContact O-N 3.43Å; V50-F52 HydrophobicContact CG2-CE2 3.8Å; V50-F52 HydrophobicContact CG2-CZ 4.25Å; V50-V94 HydrophobicContact CB-CG2 3.94Å; V50-V94 HydrophobicContact CG1-CG2 4.21Å; V50-K95 CarbonylContact C-O 3.52Å; V50-K95 VanDerWaalsContact CA-O 3.23Å; V50-K95 WeakPolarHBondContact CA-O 3.3Å
51	Q	78.2	Confident	59	Low	88 Å²	88	74 Å²	74	41%	0.411	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.5	176.6	-164.3	-179.6	-17.3	0	0	109.5	N53 G67 K95 A97	Q51-N53 PolarHBondContact NE2-OD1 3.45Å; Q51-G67 CarbonylContact C-O 3.54Å; Q51-G67 VanDerWaalsContact CA-O 3.23Å; Q51-G67 WeakPolarHBondContact CA-O 3.16Å; Q51-K95 PolarHBondContact N-O 3.36Å; Q51-K95 PolarHBondContact O-N 2.8Å; Q51-A97 HydrophobicContact CB-CB 4.43Å
52	F	83.1	Confident	60.8	Low	8 Å²	8	67.7 Å²	67.7	4%	0.035	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.5	172.9	-61	-94.1	0	0	0	108.8	F12 L35 L37 V50 I65 G67 G70 T93 V94	F12-F52 AromaticContact CE1-CD1 3.95Å; F12-F52 HydrophobicContact CE1-CD1 3.95Å; F12-F52 AromaticContact CE1-CE1 3.78Å; F12-F52 HydrophobicContact CE1-CE1 3.78Å; F12-F52 HydrophobicContact CZ-CD1 4.17Å; F12-F52 HydrophobicContact CZ-CE1 4.38Å; L35-F52 HydrophobicContact CB-CE1 4.41Å; L37-F52 HydrophobicContact CD1-CE1 4.47Å; L37-F52 HydrophobicContact CD1-CZ 3.94Å; L37-F52 HydrophobicContact CD2-CE1 4.04Å; L37-F52 HydrophobicContact CD2-CZ 4.31Å; L37-F52 HydrophobicContact CG-CE1 4.29Å; L37-F52 HydrophobicContact CG-CZ 4.09Å; V50-F52 HydrophobicContact CG2-CE2 3.8Å; V50-F52 HydrophobicContact CG2-CZ 4.25Å; F52-I65 HydrophobicContact CB-CD1 3.82Å; F52-I65 HydrophobicContact CB-CG1 4.28Å; F52-I65 HydrophobicContact CG-CD1 4.45Å; F52-G67 PolarHBondContact N-O 2.83Å; F52-G67 VanDerWaalsContact O-CA 3.24Å; F52-G67 WeakPolarHBondContact O-CA 3.31Å; F52-G70 VanDerWaalsContact CD2-N 3.25Å; F52-T93 CarbonylContact C-O 3.58Å; F52-T93 WeakPolarHBondContact CA-O 3.49Å; F52-V94 HydrophobicContact CD1-CB 4.13Å; F52-V94 HydrophobicContact CD1-CG2 4.12Å; F52-V94 HydrophobicContact CE1-CB 4.18Å; F52-V94 HydrophobicContact CE1-CG2 3.92Å; F52-V94 HydrophobicContact CZ-CG2 4.22Å
53	N	84.4	Confident	63	Low	53 Å²	53	66.1 Å²	66.1	28%	0.283	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.7	178.1	-61.3	-61.7	0	0	0	109.5	Q51 V55 T93	Q51-N53 PolarHBondContact NE2-OD1 3.45Å; N53-V55 PolarHBondContact O-N 3.19Å; N53-T93 PolarHBondContact N-O 3.07Å; N53-T93 PolarHBondContact O-N 3.39Å; N53-T93 PolarHBondContact O-OG1 3.12Å
54	I	84	Confident	65.5	Low	27 Å²	27	63.5 Å²	63.5	14%	0.138	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134	166.5	-67.7	160.1	0	0	0	107.9	P56 Y60 I65 F90 V92	I54-P56 WeakPolarHBondContact O-CD 3.37Å; I54-Y60 HydrophobicContact CD1-CD1 4.34Å; I54-Y60 HydrophobicContact CD1-CD2 4.1Å; I54-Y60 HydrophobicContact CD1-CG 3.89Å; I54-Y60 HydrophobicContact CG2-CD1 3.81Å; I54-Y60 HydrophobicContact CG2-CG 4.19Å; I54-I65 HydrophobicContact CD1-CB 4.18Å; I54-I65 HydrophobicContact CD1-CG2 3.81Å; I54-I65 HydrophobicContact CG1-CB 4.22Å; I54-I65 HydrophobicContact CG1-CG2 3.62Å; I54-F90 HydrophobicContact CD1-CD2 4.45Å; I54-F90 HydrophobicContact CD1-CE2 4.26Å; I54-F90 HydrophobicContact CG1-CD2 3.99Å; I54-F90 HydrophobicContact CG1-CE2 4Å; I54-F90 HydrophobicContact CG2-CD2 4.22Å; I54-V92 HydrophobicContact CG1-CG2 4.24Å
55	V	83.3	Confident	68.1	Low	44 Å²	44	57 Å²	57	27%	0.267	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-60.3	125.7	179	177	0	0	0	0	109	N53 G57 S58 Q91 T93	N53-V55 PolarHBondContact O-N 3.19Å; V55-G57 PolarHBondContact O-N 3.08Å; V55-S58 WeakPolarHBondContact O-CB 3.47Å; V55-S58 PolarHBondContact O-N 3.17Å; V55-S58 VanDerWaalsContact O-N 3.17Å; V55-S58 PolarHBondContact O-OG 2.63Å; V55-Q91 HydrophobicContact CB-CB 3.93Å; V55-Q91 HydrophobicContact CG2-CB 3.52Å; V55-Q91 PolarHBondContact N-O 3.02Å; V55-T93 HydrophobicContact CG2-CG2 3.53Å
56	P	74.5	Confident	70.3	Confident	127 Å²	127	58.5 Å²	58.5	83%	0.825	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	132	177	-25.2	33.3	0	0	0	111.7	I54	I54-P56 WeakPolarHBondContact O-CD 3.37Å
57	G	70	Confident	72.1	Confident	81 Å²	81	54.7 Å²	54.7	84%	0.835	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-7.8	-177	0	0	0	0	0	115	V55	V55-G57 PolarHBondContact O-N 3.08Å
58	S	66.9	Low	73.4	Confident	25 Å²	25	56.9 Å²	56.9	18%	0.175	35%	0.35	C	S	.	.			trans	-70.7	130.6	170.1	-49	0	0	0	0	110.4	V55 Y60	V55-S58 WeakPolarHBondContact O-CB 3.47Å; V55-S58 PolarHBondContact O-N 3.17Å; V55-S58 VanDerWaalsContact O-N 3.17Å; V55-S58 PolarHBondContact O-OG 2.63Å; S58-Y60 VanDerWaalsContact C-N 3.29Å; S58-Y60 VanDerWaalsContact O-CD1 3.24Å; S58-Y60 WeakPolarHBondContact O-CD1 3.4Å; S58-Y60 PolarHBondContact O-N 3.2Å
59	N	63.8	Low	74.5	Confident	152 Å²	152	59.1 Å²	59.1	81%	0.813	36%	0.358	S	S	*	.			trans	-75.3	84	169.4	-75.4	-20.3	0	0	0	109
60	Y	60.9	Low	75.3	Confident	96 Å²	96	55.9 Å²	55.9	38%	0.376	34%	0.335	S	S	.	.			trans	-94.1	-15.1	-174.2	63.8	-98.8	0	0	0	114.1	I54 S58 V63 I75	I54-Y60 HydrophobicContact CD1-CD1 4.34Å; I54-Y60 HydrophobicContact CD1-CD2 4.1Å; I54-Y60 HydrophobicContact CD1-CG 3.89Å; I54-Y60 HydrophobicContact CG2-CD1 3.81Å; I54-Y60 HydrophobicContact CG2-CG 4.19Å; S58-Y60 VanDerWaalsContact C-N 3.29Å; S58-Y60 VanDerWaalsContact O-CD1 3.24Å; S58-Y60 WeakPolarHBondContact O-CD1 3.4Å; S58-Y60 PolarHBondContact O-N 3.2Å; Y60-V63 WeakPolarHBondContact CD2-O 3.41Å; Y60-V63 WeakPolarHBondContact O-CA 3.01Å; Y60-V63 PolarHBondContact O-N 2.77Å; Y60-V63 VanDerWaalsContact O-O 3.13Å; Y60-I75 HydrophobicContact CE2-CD1 4.47Å
61	L	66.6	Low	75.9	Confident	111 Å²	111	55.5 Å²	55.5	58%	0.581	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	130.3	179	-78.9	165.9	0	0	0	109.6	I75	L61-I75 HydrophobicContact CD2-CD1 3.59Å; L61-I75 HydrophobicContact CD2-CG1 4.14Å
62	P	74.7	Confident	76.2	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.058	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	cis	-107.3	35.1	16.9	38.7	-33	0	0	0	116.3	W26 V74 I75 D76 I82	W26-P62 HydrophobicContact CE3-CG 4.14Å; W26-P62 HydrophobicContact CH2-CG 4.36Å; W26-P62 HydrophobicContact CZ3-CG 3.49Å; W26-P62 VanDerWaalsContact CZ3-CG 3.49Å; P62-V74 CarbonylContact O-C 3.55Å; P62-V74 WeakPolarHBondContact O-CA 3.28Å; P62-I75 WeakPolarHBondContact O-CG1 3.31Å; P62-I75 PolarHBondContact O-N 2.81Å; P62-D76 HydrophobicContact CB-CB 3.74Å; P62-D76 WeakPolarHBondContact CB-O 3.05Å; P62-D76 WeakPolarHBondContact CG-O 3.38Å; P62-I82 HydrophobicContact CG-CD1 3.87Å; P62-I82 HydrophobicContact CG-CG1 3.77Å
63	V	82.5	Confident	76.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.3	-176.9	-179.5	0	0	0	0	111.3	W26 I32 Y60 L72 K73 I88 F90 I111	W26-V63 HydrophobicContact CH2-CG2 4.1Å; W26-V63 HydrophobicContact CZ2-CG2 4.48Å; I32-V63 HydrophobicContact CD1-CB 4.24Å; I32-V63 HydrophobicContact CD1-CG1 3.68Å; I32-V63 HydrophobicContact CD1-CG2 3.54Å; Y60-V63 WeakPolarHBondContact CD2-O 3.41Å; Y60-V63 WeakPolarHBondContact O-CA 3.01Å; Y60-V63 PolarHBondContact O-N 2.77Å; Y60-V63 VanDerWaalsContact O-O 3.13Å; V63-L72 HydrophobicContact CG1-CB 4.32Å; V63-L72 HydrophobicContact CG1-CD2 4.41Å; V63-K73 CarbonylContact C-O 3.5Å; V63-K73 WeakPolarHBondContact CA-O 3.11Å; V63-I88 HydrophobicContact CG2-CD1 4.43Å; V63-F90 HydrophobicContact CB-CE1 4.36Å; V63-F90 HydrophobicContact CG1-CE1 4.24Å; V63-F90 HydrophobicContact CG1-CZ 4.1Å; V63-I111 HydrophobicContact CB-CD1 4.23Å; V63-I111 HydrophobicContact CG1-CD1 3.88Å; V63-I111 HydrophobicContact CG2-CD1 3.8Å
64	A	85.2	Confident	76.2	Confident	25 Å²	25	52.6 Å²	52.6	21%	0.207	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	155.6	171.2	0	0	0	0	0	111.9	L72 K73 I75	A64-L72 CarbonylContact O-C 3.46Å; A64-L72 WeakPolarHBondContact O-CA 3.3Å; A64-K73 PolarHBondContact N-O 2.8Å; A64-K73 PolarHBondContact O-N 3.05Å; A64-I75 HydrophobicContact CB-CB 4.41Å; A64-I75 HydrophobicContact CB-CD1 4.04Å; A64-I75 HydrophobicContact CB-CG1 4.16Å; A64-I75 HydrophobicContact CB-CG2 3.41Å; A64-I75 VanDerWaalsContact CB-CG2 3.41Å
65	I	85.6	Confident	76	Confident	25 Å²	25	54.6 Å²	54.6	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.6	165.9	-163.8	164.6	0	0	0	110	L35 F52 I54 G67 T71 L72 V92	L35-I65 HydrophobicContact CD1-CD1 3.49Å; L35-I65 VanDerWaalsContact CD1-CD1 3.49Å; L35-I65 HydrophobicContact CG-CD1 4.22Å; F52-I65 HydrophobicContact CB-CD1 3.82Å; F52-I65 HydrophobicContact CB-CG1 4.28Å; F52-I65 HydrophobicContact CG-CD1 4.45Å; I54-I65 HydrophobicContact CD1-CB 4.18Å; I54-I65 HydrophobicContact CD1-CG2 3.81Å; I54-I65 HydrophobicContact CG1-CB 4.22Å; I54-I65 HydrophobicContact CG1-CG2 3.62Å; I65-G67 PolarHBondContact O-N 2.9Å; I65-T71 CarbonylContact C-O 3.51Å; I65-T71 WeakPolarHBondContact CA-O 3.32Å; I65-L72 HydrophobicContact CB-CD2 3.93Å; I65-L72 HydrophobicContact CD1-CD2 4.02Å; I65-L72 HydrophobicContact CG1-CD2 3.91Å; I65-V92 HydrophobicContact CD1-CG1 3.57Å; I65-V92 HydrophobicContact CD1-CG2 4.25Å
66	D	79.6	Confident	75.4	Confident	61 Å²	61	56 Å²	56	33%	0.326	33%	0.333	S	S	.	.			trans	-71.5	116.8	167.2	-179.6	-61	0	0	0	109.1	T68 T69 G70 T71	D66-T68 PolarHBondContact O-N 2.88Å; D66-T68 PolarHBondContact OD1-N 3.4Å; D66-T69 WeakPolarHBondContact CB-OG1 3.36Å; D66-T69 PolarHBondContact O-N 2.76Å; D66-T69 PolarHBondContact OD1-N 3.28Å; D66-T69 PolarHBondContact OD1-OG1 2.89Å; D66-G70 PolarHBondContact O-N 2.92Å; D66-T71 PolarHBondContact N-O 3.28Å
67	G	72.8	Confident	74.8	Confident	26 Å²	26	51.7 Å²	51.7	27%	0.268	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.9	-171.3	0	0	0	0	0	115.2	Q51 F52 I65	Q51-G67 CarbonylContact C-O 3.54Å; Q51-G67 VanDerWaalsContact CA-O 3.23Å; Q51-G67 WeakPolarHBondContact CA-O 3.16Å; F52-G67 PolarHBondContact N-O 2.83Å; F52-G67 VanDerWaalsContact O-CA 3.24Å; F52-G67 WeakPolarHBondContact O-CA 3.31Å; I65-G67 PolarHBondContact O-N 2.9Å
68	T	69	Low	74.3	Confident	105 Å²	105	52.6 Å²	52.6	64%	0.644	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-35.2	179.6	-46.6	0	0	0	0	111.7	D66	D66-T68 PolarHBondContact O-N 2.88Å; D66-T68 PolarHBondContact OD1-N 3.4Å
69	T	70.4	Confident	74	Confident	74 Å²	74	57.1 Å²	57.1	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-14.4	-171.5	59.8	0	0	0	0	114.1	D66 T71	D66-T69 WeakPolarHBondContact CB-OG1 3.36Å; D66-T69 PolarHBondContact O-N 2.76Å; D66-T69 PolarHBondContact OD1-N 3.28Å; D66-T69 PolarHBondContact OD1-OG1 2.89Å; T69-T71 WeakPolarHBondContact CB-OG1 3.27Å; T69-T71 PolarHBondContact O-N 2.97Å; T69-T71 WeakPolarHBondContact OG1-CB 3.27Å; T69-T71 PolarHBondContact OG1-OG1 2.95Å
70	G	76.2	Confident	73.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.			trans	72.1	15	-175.1	0	0	0	0	0	113.5	L35 F52 D66	L35-G70 PolarHBondContact N-O 2.82Å; F52-G70 VanDerWaalsContact CD2-N 3.25Å; D66-G70 PolarHBondContact O-N 2.92Å
71	T	82.1	Confident	73.6	Confident	28 Å²	28	53 Å²	53	17%	0.172	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.2	-177.3	-47.2	0	0	0	0	111.1	L31 I65 D66 T69	L31-T71 HydrophobicContact CD1-CG2 3.09Å; I65-T71 CarbonylContact C-O 3.51Å; I65-T71 WeakPolarHBondContact CA-O 3.32Å; D66-T71 PolarHBondContact N-O 3.28Å; T69-T71 WeakPolarHBondContact CB-OG1 3.27Å; T69-T71 PolarHBondContact O-N 2.97Å; T69-T71 WeakPolarHBondContact OG1-CB 3.27Å; T69-T71 PolarHBondContact OG1-OG1 2.95Å
72	L	85.6	Confident	73.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.9	178.9	-61.4	174	0	0	0	110.9	F19 I32 G33 L35 V63 A64 I65 F90 V109	F19-L72 HydrophobicContact CD2-CD1 3.79Å; F19-L72 HydrophobicContact CE2-CD1 3.42Å; F19-L72 VanDerWaalsContact CE2-CD1 3.42Å; F19-L72 HydrophobicContact CZ-CD1 4.08Å; I32-L72 HydrophobicContact CB-CB 4.16Å; I32-L72 PolarHBondContact N-O 2.78Å; G33-L72 PolarHBondContact O-N 2.77Å; L35-L72 HydrophobicContact CD2-CD1 4.27Å; V63-L72 HydrophobicContact CG1-CB 4.32Å; V63-L72 HydrophobicContact CG1-CD2 4.41Å; A64-L72 CarbonylContact O-C 3.46Å; A64-L72 WeakPolarHBondContact O-CA 3.3Å; I65-L72 HydrophobicContact CB-CD2 3.93Å; I65-L72 HydrophobicContact CD1-CD2 4.02Å; I65-L72 HydrophobicContact CG1-CD2 3.91Å; L72-F90 HydrophobicContact CD2-CE2 4.12Å; L72-F90 HydrophobicContact CD2-CZ 3.82Å; L72-V109 HydrophobicContact CD1-CG1 3.67Å
73	K	84.3	Confident	72.2	Confident	88 Å²	88	54.6 Å²	54.6	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.2	-179.8	-67.3	-179.1	-179.7	173.5	0	111.8	T30 V63 A64	T30-K73 VanDerWaalsContact O-CA 3.3Å; T30-K73 WeakPolarHBondContact O-CA 3.42Å; V63-K73 CarbonylContact C-O 3.5Å; V63-K73 WeakPolarHBondContact CA-O 3.11Å; A64-K73 PolarHBondContact N-O 2.8Å; A64-K73 PolarHBondContact O-N 3.05Å
74	V	82.9	Confident	71	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	132.3	168.4	-176.6	0	0	0	0	108.8	W26 N28 G29 T30 I32 P62	W26-V74 HydrophobicContact CD2-CG2 4.09Å; W26-V74 HydrophobicContact CG-CG2 4.11Å; N28-V74 PolarHBondContact OD1-O 3.43Å; G29-V74 WeakPolarHBondContact CA-O 3.45Å; G29-V74 PolarHBondContact N-O 3.28Å; T30-V74 PolarHBondContact O-N 3.21Å; I32-V74 HydrophobicContact CD1-CG2 3.84Å; I32-V74 HydrophobicContact CG1-CG2 3.98Å; P62-V74 CarbonylContact O-C 3.55Å; P62-V74 WeakPolarHBondContact O-CA 3.28Å
75	I	78.4	Confident	69.9	Low	69 Å²	69	64.9 Å²	64.9	35%	0.354	36%	0.361	S	S	.	.	S	Bend	trans	-114.3	-14.4	174.5	53.9	162.2	0	0	0	113.9	N28 Y60 L61 P62 A64	N28-I75 PolarHBondContact ND2-O 3.19Å; N28-I75 VanDerWaalsContact ND2-O 3.07Å; N28-I75 VanDerWaalsContact OD1-CA 3.31Å; N28-I75 WeakPolarHBondContact OD1-CA 3.26Å; N28-I75 PolarHBondContact OD1-O 3.46Å; Y60-I75 HydrophobicContact CE2-CD1 4.47Å; L61-I75 HydrophobicContact CD2-CD1 3.59Å; L61-I75 HydrophobicContact CD2-CG1 4.14Å; P62-I75 WeakPolarHBondContact O-CG1 3.31Å; P62-I75 PolarHBondContact O-N 2.81Å; A64-I75 HydrophobicContact CB-CB 4.41Å; A64-I75 HydrophobicContact CB-CD1 4.04Å; A64-I75 HydrophobicContact CB-CG1 4.16Å; A64-I75 HydrophobicContact CB-CG2 3.41Å; A64-I75 VanDerWaalsContact CB-CG2 3.41Å
76	D	70.4	Confident	69.4	Low	72 Å²	72	68.1 Å²	68.1	39%	0.385	38%	0.375	S	S	.	.			trans	-149.8	95.8	-178.9	-169.8	-0.7	0	0	0	111.6	P62 D78	P62-D76 HydrophobicContact CB-CB 3.74Å; P62-D76 WeakPolarHBondContact CB-O 3.05Å; P62-D76 WeakPolarHBondContact CG-O 3.38Å; D76-D78 PolarHBondContact O-N 3.12Å; D76-D78 PolarHBondContact OD1-N 2.89Å
77	S	63.2	Low	69.4	Low	38 Å²	38	68.9 Å²	68.9	27%	0.266	38%	0.379	S	S	.	.			trans	-78.7	20.7	-175.5	57.3	0	0	0	0	113.7	W26 Y79	W26-S77 WeakPolarHBondContact O-CB 3.08Å; S77-Y79 VanDerWaalsContact O-CD2 3.28Å; S77-Y79 WeakPolarHBondContact O-CD2 3.23Å; S77-Y79 PolarHBondContact O-N 2.79Å
78	D	60.1	Low	69.9	Low	99 Å²	99	68.3 Å²	68.3	53%	0.529	37%	0.37	S	S	.	.			trans	-63.6	101.7	-174.2	-149	-5.1	0	0	0	110.3	D76 G80 T81	D76-D78 PolarHBondContact O-N 3.12Å; D76-D78 PolarHBondContact OD1-N 2.89Å; D78-G80 PolarHBondContact O-N 2.81Å; D78-T81 PolarHBondContact O-N 3.18Å; D78-T81 PolarHBondContact O-OG1 2.71Å
79	Y	59.2	Low	70.7	Confident	121 Å²	121	66.7 Å²	66.7	48%	0.475	36%	0.36	S	S	.	.	H	α-helix	trans	-54	-29.8	-173.3	-85.1	-105.2	0	0	0	111	F23 S77 K83	F23-Y79 AromaticContact CD1-CD1 3.53Å; F23-Y79 HydrophobicContact CD1-CD1 3.53Å; F23-Y79 AromaticContact CD1-CE1 3.17Å; F23-Y79 HydrophobicContact CD1-CE1 3.17Å; F23-Y79 HydrophobicContact CD1-CG 4.46Å; F23-Y79 AromaticContact CD1-CZ 3.89Å; F23-Y79 AromaticContact CE1-CD1 2.99Å; F23-Y79 HydrophobicContact CE1-CD1 2.99Å; F23-Y79 HydrophobicContact CE1-CD2 4.34Å; F23-Y79 AromaticContact CE1-CE1 3.17Å; F23-Y79 HydrophobicContact CE1-CE1 3.17Å; F23-Y79 HydrophobicContact CE1-CE2 4.48Å; F23-Y79 AromaticContact CE1-CG 3.61Å; F23-Y79 HydrophobicContact CE1-CG 3.61Å; F23-Y79 AromaticContact CE1-CZ 3.93Å; F23-Y79 HydrophobicContact CG-CE1 4.38Å; F23-Y79 AromaticContact CZ-CD1 3.82Å; F23-Y79 HydrophobicContact CZ-CD1 3.82Å; F23-Y79 HydrophobicContact CZ-CE1 4.33Å; F23-Y79 HydrophobicContact CZ-CG 4.33Å; S77-Y79 VanDerWaalsContact O-CD2 3.28Å; S77-Y79 WeakPolarHBondContact O-CD2 3.23Å; S77-Y79 PolarHBondContact O-N 2.79Å; Y79-K83 WeakPolarHBondContact O-CB 3.35Å; Y79-K83 PolarHBondContact O-N 2.92Å
80	G	59	Low	71.5	Confident	59 Å²	59	63.4 Å²	63.4	61%	0.608	34%	0.34	S	S	*	.	H	α-helix	trans	-63.2	-38.5	179.4	0	0	0	0	0	113.9	D78	D78-G80 PolarHBondContact O-N 2.81Å
81	T	57.9	Low	72.1	Confident	101 Å²	101	66.9 Å²	66.9	62%	0.62	36%	0.356	S	S	*	.	H	α-helix	trans	-77	-32.2	-177.1	-18.5	0	0	0	0	111.8	D78	D78-T81 PolarHBondContact O-N 3.18Å; D78-T81 PolarHBondContact O-OG1 2.71Å
82	I	58.5	Low	72.5	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-90.9	-24.3	-175	-50.8	149.4	0	0	0	111.7	F23 W26 P62 N84 N85 I113	F23-I82 HydrophobicContact CD2-CG2 4.36Å; F23-I82 HydrophobicContact CE1-CD1 4.47Å; F23-I82 HydrophobicContact CE2-CB 3.9Å; F23-I82 HydrophobicContact CE2-CG2 3.5Å; F23-I82 HydrophobicContact CZ-CB 3.62Å; F23-I82 HydrophobicContact CZ-CD1 4.27Å; F23-I82 HydrophobicContact CZ-CG2 3.71Å; W26-I82 HydrophobicContact CE3-CD1 3.38Å; W26-I82 HydrophobicContact CE3-CG1 4.11Å; W26-I82 HydrophobicContact CE3-CG2 4.2Å; W26-I82 HydrophobicContact CZ3-CB 4.49Å; W26-I82 HydrophobicContact CZ3-CD1 3.6Å; W26-I82 HydrophobicContact CZ3-CG1 3.8Å; W26-I82 HydrophobicContact CZ3-CG2 3.82Å; P62-I82 HydrophobicContact CG-CD1 3.87Å; P62-I82 HydrophobicContact CG-CG1 3.77Å; I82-N84 PolarHBondContact O-N 3.07Å; I82-N85 CarbonylContact O-C 3.6Å; I82-N85 PolarHBondContact O-N 2.78Å; I82-I113 HydrophobicContact CG2-CD1 3.42Å; I82-I113 VanDerWaalsContact CG2-CD1 3.42Å
83	K	52.6	Low	72.6	Confident	151 Å²	151	66.3 Å²	66.3	66%	0.657	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-28.3	-173	-138.2	179.6	179.7	-178.1	0	114.2	Y79	Y79-K83 WeakPolarHBondContact O-CB 3.35Å; Y79-K83 PolarHBondContact O-N 2.92Å
84	N	58.1	Low	72.5	Confident	140 Å²	140	62.1 Å²	62.1	75%	0.749	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.6	179.9	-64.4	-18.1	0	0	0	114.5	I82	I82-N84 PolarHBondContact O-N 3.07Å
85	N	62.4	Low	72.3	Confident	100 Å²	100	65.9 Å²	65.9	54%	0.535	35%	0.351	S	S	.	.			trans	-113.7	98.6	-177.1	-79.3	-12.2	0	0	0	111	I82 N87	I82-N85 CarbonylContact O-C 3.6Å; I82-N85 PolarHBondContact O-N 2.78Å; N85-N87 PolarHBondContact O-N 2.79Å
86	H	74.9	Confident	71.9	Confident	94 Å²	94	63.9 Å²	63.9	44%	0.435	34%	0.34	S	S	.	.	S	Bend	trans	-82.9	0.7	175.4	-66.9	44.1	0	0	0	112.7	I113	H86-I113 WeakPolarHBondContact CB-O 3.44Å; H86-I113 PolarHBondContact O-N 3Å
87	N	80.1	Confident	71.5	Confident	76 Å²	76	62.9 Å²	62.9	41%	0.406	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	128	176.8	-172.3	10	0	0	0	109.2	N85 I111 L112	N85-N87 PolarHBondContact O-N 2.79Å; N87-I111 CarbonylContact C-O 3.54Å; N87-I111 VanDerWaalsContact CA-O 3.29Å; N87-I111 WeakPolarHBondContact CA-O 3.39Å; N87-I111 PolarHBondContact OD1-O 3.01Å; N87-L112 HydrophobicContact CB-CD2 4.04Å
88	I	82.7	Confident	71.3	Confident	14 Å²	14	66.8 Å²	66.8	7%	0.072	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.7	172.3	-53.3	-164.1	0	0	0	108.4	W26 V63 F90 N110 I111 I113	W26-I88 HydrophobicContact CH2-CD1 3.53Å; W26-I88 HydrophobicContact CH2-CG1 4.35Å; W26-I88 HydrophobicContact CZ3-CD1 4.08Å; V63-I88 HydrophobicContact CG2-CD1 4.43Å; I88-F90 HydrophobicContact CG2-CD1 4.01Å; I88-F90 HydrophobicContact CG2-CE1 4.36Å; I88-N110 CarbonylContact O-C 3.5Å; I88-N110 WeakPolarHBondContact O-CA 3.36Å; I88-I111 HydrophobicContact CB-CB 4.29Å; I88-I111 PolarHBondContact N-O 3.23Å; I88-I111 PolarHBondContact O-N 2.92Å; I88-I113 HydrophobicContact CD1-CD1 4.46Å; I88-I113 HydrophobicContact CG1-CD1 4.37Å
89	T	86.2	Confident	70.9	Confident	72 Å²	72	63.6 Å²	63.6	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.2	176.9	-59.2	0	0	0	0	110.7	T108 V109 N110	T89-T108 HydrophobicContact CG2-CG2 3.67Å; T89-V109 CarbonylContact C-O 3.57Å; T89-V109 WeakPolarHBondContact CA-O 3.41Å; T89-N110 WeakPolarHBondContact CB-OD1 3.23Å; T89-N110 WeakPolarHBondContact CG2-OD1 3.36Å; T89-N110 PolarHBondContact OG1-OD1 2.81Å
90	F	87.6	Confident	70.6	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.022	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.9	173.4	57.3	-87.1	0	0	0	111.7	I54 V63 L72 I88 V92 V109 I111	I54-F90 HydrophobicContact CD1-CD2 4.45Å; I54-F90 HydrophobicContact CD1-CE2 4.26Å; I54-F90 HydrophobicContact CG1-CD2 3.99Å; I54-F90 HydrophobicContact CG1-CE2 4Å; I54-F90 HydrophobicContact CG2-CD2 4.22Å; V63-F90 HydrophobicContact CB-CE1 4.36Å; V63-F90 HydrophobicContact CG1-CE1 4.24Å; V63-F90 HydrophobicContact CG1-CZ 4.1Å; L72-F90 HydrophobicContact CD2-CE2 4.12Å; L72-F90 HydrophobicContact CD2-CZ 3.82Å; I88-F90 HydrophobicContact CG2-CD1 4.01Å; I88-F90 HydrophobicContact CG2-CE1 4.36Å; F90-V92 HydrophobicContact CD2-CG2 3.64Å; F90-V92 HydrophobicContact CE2-CG2 3.49Å; F90-V92 VanDerWaalsContact CE2-CG2 3.49Å; F90-V109 HydrophobicContact CD2-CB 4.26Å; F90-V109 HydrophobicContact CE1-CB 4.25Å; F90-V109 HydrophobicContact CE1-CG1 4.03Å; F90-V109 HydrophobicContact CE2-CB 3.91Å; F90-V109 HydrophobicContact CE2-CG1 4.21Å; F90-V109 HydrophobicContact CE2-CG2 4.12Å; F90-V109 HydrophobicContact CZ-CB 3.9Å; F90-V109 HydrophobicContact CZ-CG1 3.71Å; F90-V109 HydrophobicContact CZ-CG2 4.45Å; F90-V109 PolarHBondContact N-O 3.13Å; F90-V109 PolarHBondContact O-N 2.99Å; F90-I111 HydrophobicContact CE1-CD1 3.8Å; F90-I111 HydrophobicContact CZ-CD1 4.31Å
91	Q	88.8	Confident	70.2	Confident	72 Å²	72	64.8 Å²	64.8	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.4	177.2	-65.1	-66.4	-19	0	0	110.7	V55 A107 T108	V55-Q91 HydrophobicContact CB-CB 3.93Å; V55-Q91 HydrophobicContact CG2-CB 3.52Å; V55-Q91 PolarHBondContact N-O 3.02Å; Q91-A107 PolarHBondContact OE1-O 2.91Å; Q91-A107 VanDerWaalsContact OE1-O 3.08Å; Q91-T108 PolarHBondContact NE2-OG1 2.76Å; Q91-T108 PolarHBondContact OE1-OG1 2.91Å; Q91-T108 VanDerWaalsContact OE1-OG1 3.13Å
92	V	90.1	Very high	70.2	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.7	176.6	-175.5	0	0	0	0	109.5	F12 L35 I54 I65 F90 D106 A107 V109	F12-V92 HydrophobicContact CZ-CB 4.47Å; F12-V92 HydrophobicContact CZ-CG1 4.11Å; L35-V92 HydrophobicContact CD1-CB 3.79Å; L35-V92 HydrophobicContact CD1-CG1 3.59Å; L35-V92 HydrophobicContact CD1-CG2 3.94Å; I54-V92 HydrophobicContact CG1-CG2 4.24Å; I65-V92 HydrophobicContact CD1-CG1 3.57Å; I65-V92 HydrophobicContact CD1-CG2 4.25Å; F90-V92 HydrophobicContact CD2-CG2 3.64Å; F90-V92 HydrophobicContact CE2-CG2 3.49Å; F90-V92 VanDerWaalsContact CE2-CG2 3.49Å; V92-D106 CarbonylContact O-C 3.42Å; V92-D106 WeakPolarHBondContact O-CA 3.3Å; V92-A107 PolarHBondContact N-O 2.77Å; V92-A107 PolarHBondContact O-N 3.03Å; V92-V109 HydrophobicContact CG2-CG2 3.77Å
93	T	87.5	Confident	70.6	Confident	17 Å²	17	69.3 Å²	69.3	10%	0.104	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.4	172.8	62.6	0	0	0	0	110	F52 N53 V55 D105 D106	F52-T93 CarbonylContact C-O 3.58Å; F52-T93 WeakPolarHBondContact CA-O 3.49Å; N53-T93 PolarHBondContact N-O 3.07Å; N53-T93 PolarHBondContact O-N 3.39Å; N53-T93 PolarHBondContact O-OG1 3.12Å; V55-T93 HydrophobicContact CG2-CG2 3.53Å; T93-D105 CarbonylContact C-O 3.55Å; T93-D105 VanDerWaalsContact CA-O 3.31Å; T93-D105 WeakPolarHBondContact CA-O 3.32Å; T93-D106 WeakPolarHBondContact CB-OD1 3.41Å; T93-D106 WeakPolarHBondContact CG2-OD1 3.18Å
94	V	82.4	Confident	71.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.4	164.9	63.3	0	0	0	0	109.3	P10 F12 L37 V50 F52 S104 D105	P10-V94 HydrophobicContact CB-CG1 3.98Å; P10-V94 HydrophobicContact CB-CG2 3.82Å; P10-V94 HydrophobicContact CG-CG1 4.4Å; P10-V94 HydrophobicContact CG-CG2 4.33Å; F12-V94 HydrophobicContact CD2-CG1 3.99Å; F12-V94 HydrophobicContact CE1-CB 4.26Å; F12-V94 HydrophobicContact CE1-CG1 4.37Å; F12-V94 HydrophobicContact CE2-CB 3.99Å; F12-V94 HydrophobicContact CE2-CG1 3.67Å; F12-V94 HydrophobicContact CG-CG1 4.49Å; F12-V94 HydrophobicContact CZ-CB 3.72Å; F12-V94 HydrophobicContact CZ-CG1 3.87Å; L37-V94 HydrophobicContact CD1-CG2 4.1Å; L37-V94 HydrophobicContact CD2-CB 4.13Å; L37-V94 HydrophobicContact CD2-CG1 3.79Å; L37-V94 HydrophobicContact CD2-CG2 3.94Å; V50-V94 HydrophobicContact CB-CG2 3.94Å; V50-V94 HydrophobicContact CG1-CG2 4.21Å; F52-V94 HydrophobicContact CD1-CB 4.13Å; F52-V94 HydrophobicContact CD1-CG2 4.12Å; F52-V94 HydrophobicContact CE1-CB 4.18Å; F52-V94 HydrophobicContact CE1-CG2 3.92Å; F52-V94 HydrophobicContact CZ-CG2 4.22Å; V94-S104 WeakPolarHBondContact O-CA 3.48Å; V94-S104 VanDerWaalsContact O-CB 3.31Å; V94-S104 WeakPolarHBondContact O-CB 3.31Å; V94-D105 HydrophobicContact CG1-CB 3.94Å; V94-D105 PolarHBondContact N-O 3.49Å; V94-D105 PolarHBondContact O-N 2.87Å; V94-D105 VanDerWaalsContact O-N 3.11Å
95	K	77.9	Confident	72.8	Confident	80 Å²	80	60 Å²	60	35%	0.348	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.7	177.3	-50.4	-158.8	174	177.8	0	110.4	V50 Q51	V50-K95 CarbonylContact C-O 3.52Å; V50-K95 VanDerWaalsContact CA-O 3.23Å; V50-K95 WeakPolarHBondContact CA-O 3.3Å; Q51-K95 PolarHBondContact N-O 3.36Å; Q51-K95 PolarHBondContact O-N 2.8Å
96	N	70.3	Confident	73.9	Confident	26 Å²	26	59 Å²	59	14%	0.139	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118	168.7	-171.2	-18.3	0	0	0	108.8	P10 N98 T99	P10-N96 HydrophobicContact CG-CB 4.42Å; N96-N98 PolarHBondContact O-N 2.86Å; N96-N98 PolarHBondContact OD1-N 2.98Å; N96-T99 HydrophobicContact CB-CG2 4.46Å; N96-T99 WeakPolarHBondContact CB-OG1 3.36Å
97	A	62.6	Low	74.6	Confident	51 Å²	51	54.6 Å²	54.6	42%	0.421	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.5	-173.4	0	0	0	0	0	113	S49 Q51	S49-A97 WeakPolarHBondContact O-CA 3.5Å; S49-A97 WeakPolarHBondContact O-CB 3.32Å; S49-A97 PolarHBondContact O-N 3.01Å; Q51-A97 HydrophobicContact CB-CB 4.43Å
98	N	57.5	Low	75	Confident	120 Å²	120	52.4 Å²	52.4	64%	0.642	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	9.1	-171.4	-66.1	-17.7	0	0	0	114.2	N96	N96-N98 PolarHBondContact O-N 2.86Å; N96-N98 PolarHBondContact OD1-N 2.98Å
99	T	52.2	Low	75.3	Confident	32 Å²	32	51.8 Å²	51.8	20%	0.196	30%	0.296	C	S	.	.			trans	-114.4	130.3	176.9	58	0	0	0	0	111.3	N96 L101	N96-T99 HydrophobicContact CB-CG2 4.46Å; N96-T99 WeakPolarHBondContact CB-OG1 3.36Å; T99-L101 PolarHBondContact O-N 2.86Å; T99-L101 VanDerWaalsContact O-N 3.16Å; T99-L101 PolarHBondContact OG1-O 2.87Å
100	S	52.7	Low	75.4	Confident	126 Å²	126	49.9 Å²	49.9	88%	0.881	28%	0.283	S	S	*	.	S	Bend	trans	-61.1	-16.5	167.3	49.8	0	0	0	0	112.9	N102	S100-N102 PolarHBondContact O-N 2.86Å; S100-N102 VanDerWaalsContact O-N 3.16Å
101	L	51.5	Low	75.3	Confident	80 Å²	80	49.6 Å²	49.6	42%	0.419	28%	0.282	S	S	.	.	S	Bend	trans	-68.2	104.2	167.3	-68.3	161.1	0	0	0	108	H7 T99 I103	H7-L101 HydrophobicContact CB-CD1 4.36Å; T99-L101 PolarHBondContact O-N 2.86Å; T99-L101 VanDerWaalsContact O-N 3.16Å; T99-L101 PolarHBondContact OG1-O 2.87Å; L101-I103 HydrophobicContact CB-CD1 3.8Å; L101-I103 HydrophobicContact CB-CG1 3.93Å; L101-I103 HydrophobicContact CD1-CD1 4.35Å; L101-I103 HydrophobicContact CD2-CD1 4.47Å; L101-I103 HydrophobicContact CG-CD1 4.44Å; L101-I103 PolarHBondContact O-N 2.92Å
102	N	56.9	Low	75.1	Confident	147 Å²	147	49.3 Å²	49.3	79%	0.786	28%	0.282	S	S	*	.			trans	-64.7	42.9	173.6	-96.1	-19.4	0	0	0	112.6	S100 S104	S100-N102 PolarHBondContact O-N 2.86Å; S100-N102 VanDerWaalsContact O-N 3.16Å; N102-S104 PolarHBondContact O-N 3.41Å
103	I	67.2	Low	74.5	Confident	53 Å²	53	49.5 Å²	49.5	27%	0.272	28%	0.284	S	S	.	.			trans	-82.9	117.9	-178.7	-56.3	168.9	0	0	0	107.4	I9 L101	I9-I103 HydrophobicContact CB-CG2 4.11Å; I9-I103 HydrophobicContact CD1-CD1 4.41Å; I9-I103 HydrophobicContact CD1-CG2 4.36Å; I9-I103 HydrophobicContact CG1-CD1 4.1Å; I9-I103 HydrophobicContact CG1-CG2 4Å; I9-I103 HydrophobicContact CG2-CG2 3.36Å; L101-I103 HydrophobicContact CB-CD1 3.8Å; L101-I103 HydrophobicContact CB-CG1 3.93Å; L101-I103 HydrophobicContact CD1-CD1 4.35Å; L101-I103 HydrophobicContact CD2-CD1 4.47Å; L101-I103 HydrophobicContact CG-CD1 4.44Å; L101-I103 PolarHBondContact O-N 2.92Å
104	S	75.3	Confident	73.5	Confident	50 Å²	50	53.7 Å²	53.7	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.3	176.3	66.3	0	0	0	0	111	V94 N102	V94-S104 WeakPolarHBondContact O-CA 3.48Å; V94-S104 VanDerWaalsContact O-CB 3.31Å; V94-S104 WeakPolarHBondContact O-CB 3.31Å; N102-S104 PolarHBondContact O-N 3.41Å
105	D	82.6	Confident	72	Confident	44 Å²	44	55.2 Å²	55.2	24%	0.235	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.6	167.5	-167.2	35.5	0	0	0	108.8	P10 K11 F12 T93 V94	P10-D105 WeakPolarHBondContact O-CB 3.45Å; K11-D105 VanDerWaalsContact CA-OD2 3.25Å; K11-D105 WeakPolarHBondContact CA-OD2 3.43Å; K11-D105 HydrophobicContact CG-CB 4.38Å; F12-D105 HydrophobicContact CD2-CB 4.32Å; F12-D105 VanDerWaalsContact CE2-O 3.28Å; F12-D105 WeakPolarHBondContact CE2-O 3.46Å; F12-D105 PolarHBondContact N-OD2 3.3Å; T93-D105 CarbonylContact C-O 3.55Å; T93-D105 VanDerWaalsContact CA-O 3.31Å; T93-D105 WeakPolarHBondContact CA-O 3.32Å; V94-D105 HydrophobicContact CG1-CB 3.94Å; V94-D105 PolarHBondContact N-O 3.49Å; V94-D105 PolarHBondContact O-N 2.87Å; V94-D105 VanDerWaalsContact O-N 3.11Å
106	D	86.2	Confident	70.4	Confident	81 Å²	81	59 Å²	59	43%	0.433	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.1	-171.7	-61.9	-16.6	0	0	0	110.4	V92 T93	V92-D106 CarbonylContact O-C 3.42Å; V92-D106 WeakPolarHBondContact O-CA 3.3Å; T93-D106 WeakPolarHBondContact CB-OD1 3.41Å; T93-D106 WeakPolarHBondContact CG2-OD1 3.18Å
107	A	87.7	Confident	68.6	Low	1 Å²	1	68.6 Å²	68.6	1%	0.008	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.5	175.2	0	0	0	0	0	112	F12 T15 F17 Q91 V92	F12-A107 HydrophobicContact CB-CB 4.16Å; F12-A107 HydrophobicContact CD1-CB 4.25Å; F12-A107 HydrophobicContact CD2-CB 3.45Å; F12-A107 VanDerWaalsContact CD2-CB 3.45Å; F12-A107 HydrophobicContact CE2-CB 3.77Å; F12-A107 HydrophobicContact CG-CB 3.7Å; F12-A107 HydrophobicContact CZ-CB 4.33Å; T15-A107 WeakPolarHBondContact O-CA 3.29Å; F17-A107 HydrophobicContact CD2-CB 3.97Å; F17-A107 HydrophobicContact CE2-CB 3.82Å; Q91-A107 PolarHBondContact OE1-O 2.91Å; Q91-A107 VanDerWaalsContact OE1-O 3.08Å; V92-A107 PolarHBondContact N-O 2.77Å; V92-A107 PolarHBondContact O-N 3.03Å
108	T	88.8	Confident	67.1	Low	30 Å²	30	69.2 Å²	69.2	18%	0.184	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.5	173.9	-48.4	0	0	0	0	109.7	T15 V16 F17 T89 Q91	T15-T108 PolarHBondContact O-N 2.92Å; V16-T108 CarbonylContact C-O 3.5Å; V16-T108 VanDerWaalsContact CA-O 3.29Å; V16-T108 WeakPolarHBondContact CA-O 3.35Å; F17-T108 PolarHBondContact N-O 2.81Å; T89-T108 HydrophobicContact CG2-CG2 3.67Å; Q91-T108 PolarHBondContact NE2-OG1 2.76Å; Q91-T108 PolarHBondContact OE1-OG1 2.91Å; Q91-T108 VanDerWaalsContact OE1-OG1 3.13Å
109	V	90.2	Very high	65.8	Low	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.6	174.4	-179.7	0	0	0	0	108.6	F17 F19 L35 L72 T89 F90 V92 I111	F17-V109 CarbonylContact O-C 3.58Å; F17-V109 WeakPolarHBondContact O-CA 3.48Å; F19-V109 HydrophobicContact CD2-CG1 3.93Å; F19-V109 HydrophobicContact CE2-CG1 3.94Å; L35-V109 HydrophobicContact CD1-CG2 4.17Å; L35-V109 HydrophobicContact CD2-CG2 3.65Å; L72-V109 HydrophobicContact CD1-CG1 3.67Å; T89-V109 CarbonylContact C-O 3.57Å; T89-V109 WeakPolarHBondContact CA-O 3.41Å; F90-V109 HydrophobicContact CD2-CB 4.26Å; F90-V109 HydrophobicContact CE1-CB 4.25Å; F90-V109 HydrophobicContact CE1-CG1 4.03Å; F90-V109 HydrophobicContact CE2-CB 3.91Å; F90-V109 HydrophobicContact CE2-CG1 4.21Å; F90-V109 HydrophobicContact CE2-CG2 4.12Å; F90-V109 HydrophobicContact CZ-CB 3.9Å; F90-V109 HydrophobicContact CZ-CG1 3.71Å; F90-V109 HydrophobicContact CZ-CG2 4.45Å; F90-V109 PolarHBondContact N-O 3.13Å; F90-V109 PolarHBondContact O-N 2.99Å; V92-V109 HydrophobicContact CG2-CG2 3.77Å; V109-I111 HydrophobicContact CG1-CD1 4.46Å; V109-I111 HydrophobicContact CG1-CG1 4.14Å
110	N	87.6	Confident	64.6	Low	32 Å²	32	78.3 Å²	78.3	17%	0.171	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.8	172.5	-60.6	-48.2	0	0	0	109.3	V16 F17 T18 F19 I88 T89	V16-N110 VanDerWaalsContact CG1-ND2 3.33Å; V16-N110 WeakPolarHBondContact CG1-ND2 3.34Å; F17-N110 PolarHBondContact O-N 3.29Å; T18-N110 CarbonylContact C-O 3.51Å; T18-N110 WeakPolarHBondContact CA-O 3.4Å; T18-N110 HydrophobicContact CG2-CB 4.26Å; F19-N110 PolarHBondContact N-O 3.42Å; I88-N110 CarbonylContact O-C 3.5Å; I88-N110 WeakPolarHBondContact O-CA 3.36Å; T89-N110 WeakPolarHBondContact CB-OD1 3.23Å; T89-N110 WeakPolarHBondContact CG2-OD1 3.36Å; T89-N110 PolarHBondContact OG1-OD1 2.81Å
111	I	86.3	Confident	63.4	Low	0 Å²	0	81.2 Å²	81.2	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	106	176.3	-54.2	171.6	0	0	0	107.7	F19 T21 W26 I32 V63 N87 I88 F90 V109	F19-I111 HydrophobicContact CB-CG1 4.45Å; F19-I111 CarbonylContact O-C 3.51Å; F19-I111 VanDerWaalsContact O-CA 3.28Å; F19-I111 WeakPolarHBondContact O-CA 3.5Å; T21-I111 HydrophobicContact CG2-CG2 3.71Å; W26-I111 HydrophobicContact CZ2-CG2 3.9Å; I32-I111 HydrophobicContact CD1-CD1 4.01Å; I32-I111 HydrophobicContact CG2-CD1 4.21Å; I32-I111 HydrophobicContact CG2-CG1 4.38Å; I32-I111 HydrophobicContact CG2-CG2 4.05Å; V63-I111 HydrophobicContact CB-CD1 4.23Å; V63-I111 HydrophobicContact CG1-CD1 3.88Å; V63-I111 HydrophobicContact CG2-CD1 3.8Å; N87-I111 CarbonylContact C-O 3.54Å; N87-I111 VanDerWaalsContact CA-O 3.29Å; N87-I111 WeakPolarHBondContact CA-O 3.39Å; N87-I111 PolarHBondContact OD1-O 3.01Å; I88-I111 HydrophobicContact CB-CB 4.29Å; I88-I111 PolarHBondContact N-O 3.23Å; I88-I111 PolarHBondContact O-N 2.92Å; F90-I111 HydrophobicContact CE1-CD1 3.8Å; F90-I111 HydrophobicContact CZ-CD1 4.31Å; V109-I111 HydrophobicContact CG1-CD1 4.46Å; V109-I111 HydrophobicContact CG1-CG1 4.14Å
112	L	83.5	Confident	62.2	Low	65 Å²	65	83 Å²	83	34%	0.34	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121	177.9	-61	172.3	0	0	0	108.8	T18 F19 E20 T21 N87	T18-L112 HydrophobicContact CG2-CD1 3.82Å; T18-L112 HydrophobicContact CG2-CG 4.22Å; F19-L112 PolarHBondContact O-N 2.98Å; E20-L112 WeakPolarHBondContact CA-O 3.34Å; E20-L112 HydrophobicContact CG-CB 4.22Å; E20-L112 HydrophobicContact CG-CD1 4.26Å; T21-L112 PolarHBondContact N-O 2.79Å; N87-L112 HydrophobicContact CB-CD2 4.04Å
113	I	76.7	Confident	60.6	Low	5 Å²	5	84.4 Å²	84.4	3%	0.026	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.8	179.4	-47	172.6	0	0	0	107.3	T21 F23 W26 I82 H86 I88 G115	T21-I113 HydrophobicContact CG2-CG1 4.24Å; T21-I113 WeakPolarHBondContact O-CA 3.3Å; F23-I113 HydrophobicContact CB-CG2 4.17Å; F23-I113 HydrophobicContact CD2-CG2 3.71Å; F23-I113 HydrophobicContact CG-CG2 4.22Å; W26-I113 HydrophobicContact CE3-CD1 4.34Å; W26-I113 HydrophobicContact CH2-CD1 3.19Å; W26-I113 HydrophobicContact CH2-CG1 3.97Å; W26-I113 HydrophobicContact CZ2-CD1 3.43Å; W26-I113 VanDerWaalsContact CZ2-CD1 3.43Å; W26-I113 HydrophobicContact CZ2-CG1 3.68Å; W26-I113 HydrophobicContact CZ3-CD1 3.69Å; I82-I113 HydrophobicContact CG2-CD1 3.42Å; I82-I113 VanDerWaalsContact CG2-CD1 3.42Å; H86-I113 WeakPolarHBondContact CB-O 3.44Å; H86-I113 PolarHBondContact O-N 3Å; I88-I113 HydrophobicContact CD1-CD1 4.46Å; I88-I113 HydrophobicContact CG1-CD1 4.37Å; I113-G115 PolarHBondContact O-N 2.8Å; I113-G115 VanDerWaalsContact O-N 3.16Å
114	D	68.3	Low	58.5	Low	105 Å²	105	86.9 Å²	86.9	56%	0.561	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.6	175.6	-168.2	3	0	0	0	109.3	T21 K116	T21-D114 PolarHBondContact O-N 3.24Å; T21-D114 VanDerWaalsContact O-N 3.1Å; D114-K116 PolarHBondContact OD1-N 3.46Å
115	G	51.1	Low	56	Low	31 Å²	31	93.8 Å²	93.8	32%	0.32	48%	0.475	S	S	.	.			trans	-106.6	0.9	-176.5	0	0	0	0	0	114.1	I113 Y117	I113-G115 PolarHBondContact O-N 2.8Å; I113-G115 VanDerWaalsContact O-N 3.16Å; G115-Y117 PolarHBondContact O-N 2.85Å
116	K	43	Very low	53.2	Low	161 Å²	161	98.7 Å²	98.7	70%	0.7	50%	0.5	S	S	*	.			trans	-74	92.1	179.2	-81.4	-167.4	172.8	-167.3	0	111.5	D114 S118	D114-K116 PolarHBondContact OD1-N 3.46Å; K116-S118 VanDerWaalsContact C-N 3.27Å
117	Y	32.6	Very low	50.2	Low	227 Å²	227	100.5 Å²	100.5	89%	0.89	51%	0.514	S	S	*	.				-80.1	82.9	126.9	-103	-92.9	0	0	0	107.1	G115	G115-Y117 PolarHBondContact O-N 2.85Å
118	S	30.4	Very low	47.2	Very low	64 Å²	64	104.9 Å²	104.9	45%	0.448	55%	0.55	S	S	.	*			trans	-105.1	102.4	154.1	64.1	0	0	0	0	106.6	K116	K116-S118 VanDerWaalsContact C-N 3.27Å
119	E	31.6	Very low	44.2	Very low	170 Å²	170	109.1 Å²	109.1	79%	0.794	58%	0.576	S	S	*	*			trans	-52.3	140.7	146.1	-66.1	-178.4	168.5	0	0	106.8
120	E	27.1	Very low	41.3	Very low	172 Å²	172	118.3 Å²	118.3	80%	0.804	62%	0.616	S	S	*	*			trans	83.5	79.6	-173.6	-51.4	-178.8	162.7	0	0	115.7
121	E	26.1	Very low	38.7	Very low	187 Å²	187	125.9 Å²	125.9	87%	0.874	64%	0.642	S	S	*	*				-130.8	92	118	-87.9	-168.5	175.4	0	0	108
122	T	26.6	Very low	36.4	Very low	117 Å²	117	129 Å²	129	72%	0.718	67%	0.674	S	S	*	*			trans	-44.9	146.2	151.6	31	0	0	0	0	111.6
123	E	24	Very low	34.7	Very low	178 Å²	178	132.1 Å²	132.1	83%	0.832	69%	0.685	S	S	*	*			trans	76.1	82.5	156.7	-65.4	177.5	-164.6	0	0	116.9
124	S	22.9	Very low	33.6	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	70%	0.698	S	S	*	*				-137.2	103.5	124.1	-61	0	0	0	0	107.1	I126	S124-I126 PolarHBondContact O-N 3.22Å
125	E	22.1	Very low	33.2	Very low	196 Å²	196	134.2 Å²	134.2	92%	0.916	70%	0.699	S	S	*	*			trans	-58.4	77.3	159.3	-80.5	-174.5	138.8	0	0	108	T127	E125-T127 PolarHBondContact O-N 2.9Å
126	I	24.9	Very low	33.8	Very low	146 Å²	146	133.9 Å²	133.9	75%	0.749	69%	0.691	S	S	*	*			trans	-73	90.3	164	-57.6	178.6	0	0	0	103.7	S124 A128	S124-I126 PolarHBondContact O-N 3.22Å; I126-A128 PolarHBondContact O-N 2.97Å
127	T	23.1	Very low	35	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	67%	0.666	S	S	*	*			trans	-17.6	101.6	158.1	22.2	0	0	0	0	109.1	E125 V129	E125-T127 PolarHBondContact O-N 2.9Å; T127-V129 PolarHBondContact O-N 2.7Å
128	A	24.2	Very low	36.5	Very low	93 Å²	93	121.6 Å²	121.6	77%	0.769	65%	0.65	S	S	*	*			trans	-63.3	89.6	178	0	0	0	0	0	107	I126 K130	I126-A128 PolarHBondContact O-N 2.97Å; A128-K130 PolarHBondContact O-N 2.77Å
129	V	26.1	Very low	38.1	Very low	118 Å²	118	122.9 Å²	122.9	72%	0.715	66%	0.655	S	S	*	*			trans	-57.2	102.2	155.6	-177.9	0	0	0	0	102.6	T127 R131	T127-V129 PolarHBondContact O-N 2.7Å; V129-R131 PolarHBondContact O-N 2.89Å
130	K	28.3	Very low	39.8	Very low	193 Å²	193	117.1 Å²	117.1	84%	0.839	63%	0.629	S	S	*	*			trans	-55.5	84.3	168	-94.2	-178.8	170.6	177.9	0	106	A128 G132	A128-K130 PolarHBondContact O-N 2.77Å; K130-G132 PolarHBondContact O-N 3.48Å
131	R	33.5	Very low	41.9	Very low	191 Å²	191	116.8 Å²	116.8	72%	0.721	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.5	165	-72.8	-172	180	-163.2	0.9	103.6	V129 F133	V129-R131 PolarHBondContact O-N 2.89Å; R131-F133 PolarHBondContact O-N 3.25Å
132	G	38.4	Very low	44.1	Very low	65 Å²	65	110.1 Å²	110.1	67%	0.67	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-48.2	128.5	176.5	0	0	0	0	0	107.8	K130 I134	K130-G132 PolarHBondContact O-N 3.48Å; G132-I134 PolarHBondContact O-N 3.04Å
133	F	48.3	Very low	46.4	Very low	132 Å²	132	106.8 Å²	106.8	58%	0.579	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51.5	131.1	179.5	-70.8	-82.7	0	0	0	108.7	R131 V135 P240	R131-F133 PolarHBondContact O-N 3.25Å; F133-V135 PolarHBondContact O-N 2.91Å; F133-P240 HydrophobicContact CB-CB 4.15Å; F133-P240 HydrophobicContact CD1-CB 3.41Å; F133-P240 VanDerWaalsContact CD1-CB 3.41Å; F133-P240 HydrophobicContact CD1-CG 4.45Å; F133-P240 HydrophobicContact CE1-CB 4.05Å; F133-P240 HydrophobicContact CG-CB 4.01Å
134	I	53	Low	48.6	Very low	59 Å²	59	102 Å²	102	30%	0.303	55%	0.549	S	S	.	.	B	Isolated β-bridge	trans	-72.5	118.8	175.2	-65.6	-178.8	0	0	0	106.4	G132 A241 N242	G132-I134 PolarHBondContact O-N 3.04Å; I134-A241 PolarHBondContact N-O 2.93Å; I134-N242 VanDerWaalsContact CD1-O 3.25Å; I134-N242 WeakPolarHBondContact CD1-O 3.29Å
135	V	59.3	Low	50.9	Low	94 Å²	94	100.1 Å²	100.1	57%	0.57	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-59.7	131.1	173	-174.7	0	0	0	0	107	F133	F133-V135 PolarHBondContact O-N 2.91Å
136	P	64.9	Low	52.8	Low	25 Å²	25	96.6 Å²	96.6	16%	0.162	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-50.5	141.6	177.6	-24.5	30.9	0	0	0	111.4	P171 F247	P136-P171 HydrophobicContact CB-CG 3.32Å; P136-P171 HydrophobicContact CG-CG 3.98Å; P136-F247 HydrophobicContact CB-CD1 4.34Å; P136-F247 HydrophobicContact CB-CE1 3.64Å; P136-F247 HydrophobicContact CB-CE2 4.36Å; P136-F247 HydrophobicContact CB-CZ 3.65Å; P136-F247 HydrophobicContact CG-CE1 4Å; P136-F247 HydrophobicContact CG-CZ 3.76Å
137	P	66.7	Low	54.3	Low	25 Å²	25	91.1 Å²	91.1	16%	0.162	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-56.6	144.8	176	25.8	-33.9	0	0	0	109.5	V168 L169 P170 P171 F247	P137-V168 HydrophobicContact CB-CG1 3.61Å; P137-V168 HydrophobicContact CG-CG1 3.54Å; P137-L169 VanDerWaalsContact CG-O 3.29Å; P137-L169 WeakPolarHBondContact CG-O 3.02Å; P137-P170 WeakPolarHBondContact O-CA 3.4Å; P137-P170 WeakPolarHBondContact O-CB 3.17Å; P137-P171 WeakPolarHBondContact O-CD 3.35Å; P137-F247 HydrophobicContact CG-CB 3.52Å; P137-F247 HydrophobicContact CG-CD1 4.34Å; P137-F247 HydrophobicContact CG-CD2 4.16Å; P137-F247 HydrophobicContact CG-CG 3.78Å
138	N	65.1	Low	55.6	Low	105 Å²	105	95.3 Å²	95.3	56%	0.561	49%	0.491	S	S	*	.			trans	-107.1	-13.6	-179.7	62.1	-9.1	0	0	0	112.9
139	T	63.2	Low	56.5	Low	91 Å²	91	94.3 Å²	94.3	56%	0.558	47%	0.472	S	S	*	.	S	Bend	trans	-125.1	146	178.5	56.9	0	0	0	0	110.4	R141	T139-R141 PolarHBondContact O-N 3.49Å
140	I	68.7	Low	56.9	Low	49 Å²	49	96.2 Å²	96.2	25%	0.251	47%	0.473	S	S	.	.			trans	-71.5	123.6	170.1	-60.7	176.9	0	0	0	108.6	V142 V168 L169 P170 M274 H276	I140-V142 HydrophobicContact CG2-CG2 4.21Å; I140-V168 VanDerWaalsContact CA-O 3.27Å; I140-V168 WeakPolarHBondContact CA-O 3.41Å; I140-L169 HydrophobicContact CD1-CD2 3.95Å; I140-L169 HydrophobicContact CG1-CD2 3.93Å; I140-L169 HydrophobicContact CG2-CD2 4.05Å; I140-P170 HydrophobicContact CG1-CG 4.27Å; I140-M274 HydrophobicContact CG2-SD 4.13Å; I140-H276 HydrophobicContact CD1-CB 4.13Å; I140-H276 WeakPolarHBondContact CD1-CD2 2.91Å; I140-H276 WeakPolarHBondContact CD1-NE2 3.29Å
141	R	70.6	Confident	57.2	Low	165 Å²	165	94.1 Å²	94.1	62%	0.623	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.4	174.4	-171.5	-178.9	179.7	-164.2	0.2	109.2	T139 T143 I167 V168	T139-R141 PolarHBondContact O-N 3.49Å; R141-T143 HydrophobicContact CG-CG2 4.48Å; R141-I167 CarbonylContact O-C 3.56Å; R141-I167 WeakPolarHBondContact O-CA 3.33Å; R141-V168 HydrophobicContact CB-CB 4.2Å; R141-V168 PolarHBondContact N-O 3.14Å; R141-V168 PolarHBondContact O-N 2.92Å
142	V	71.4	Confident	57.2	Low	46 Å²	46	88.9 Å²	88.9	28%	0.279	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.6	176.2	-170.5	0	0	0	0	108.3	I140 F144 V166 I167 M274	I140-V142 HydrophobicContact CG2-CG2 4.21Å; V142-F144 HydrophobicContact CB-CE2 4.45Å; V142-F144 HydrophobicContact CG1-CD2 4.03Å; V142-F144 HydrophobicContact CG1-CE1 4.43Å; V142-F144 HydrophobicContact CG1-CE2 3.32Å; V142-F144 HydrophobicContact CG1-CZ 3.55Å; V142-V166 VanDerWaalsContact CA-O 3.3Å; V142-V166 WeakPolarHBondContact CA-O 3.46Å; V142-I167 HydrophobicContact CG1-CG1 4.21Å; V142-I167 HydrophobicContact CG2-CG2 4.42Å; V142-M274 HydrophobicContact CB-CE 4.3Å; V142-M274 HydrophobicContact CG1-CE 4.16Å; V142-M274 HydrophobicContact CG2-CE 3.21Å; V142-M274 HydrophobicContact CG2-SD 3.47Å; V142-M274 WeakPolarHBondContact CG2-SD 3.47Å
143	T	75.3	Confident	57	Low	47 Å²	47	90.6 Å²	90.6	29%	0.288	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.1	173.1	49.3	0	0	0	0	109.2	R141 S165 V166	R141-T143 HydrophobicContact CG-CG2 4.48Å; T143-S165 CarbonylContact O-C 3.54Å; T143-S165 VanDerWaalsContact O-CA 3.3Å; T143-S165 WeakPolarHBondContact O-CA 3.44Å; T143-V166 PolarHBondContact N-O 2.9Å; T143-V166 PolarHBondContact O-N 3.33Å; T143-V166 WeakPolarHBondContact OG1-CB 3.27Å
144	F	69.8	Low	56.4	Low	78 Å²	78	88.5 Å²	88.5	34%	0.342	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.1	172.1	-64.6	-83.2	0	0	0	109	V142 I163 D164 F180 I272	V142-F144 HydrophobicContact CB-CE2 4.45Å; V142-F144 HydrophobicContact CG1-CD2 4.03Å; V142-F144 HydrophobicContact CG1-CE1 4.43Å; V142-F144 HydrophobicContact CG1-CE2 3.32Å; V142-F144 HydrophobicContact CG1-CZ 3.55Å; F144-I163 HydrophobicContact CB-CG2 3.87Å; F144-I163 HydrophobicContact CD1-CG2 3.86Å; F144-I163 HydrophobicContact CG-CG2 4.33Å; F144-D164 CarbonylContact C-O 3.51Å; F144-D164 VanDerWaalsContact CA-O 3.27Å; F144-D164 WeakPolarHBondContact CA-O 3.47Å; F144-F180 HydrophobicContact CE1-CE1 4.3Å; F144-I272 HydrophobicContact CD1-CD1 3.52Å; F144-I272 HydrophobicContact CD2-CD1 4.07Å; F144-I272 HydrophobicContact CE1-CD1 3.41Å; F144-I272 VanDerWaalsContact CE1-CD1 3.41Å; F144-I272 HydrophobicContact CE1-CG2 4.15Å; F144-I272 HydrophobicContact CE2-CB 4.21Å; F144-I272 HydrophobicContact CE2-CD1 3.98Å; F144-I272 HydrophobicContact CE2-CG2 3.95Å; F144-I272 HydrophobicContact CG-CD1 3.86Å; F144-I272 HydrophobicContact CZ-CB 4.14Å; F144-I272 HydrophobicContact CZ-CD1 3.68Å; F144-I272 HydrophobicContact CZ-CG1 4.49Å; F144-I272 HydrophobicContact CZ-CG2 3.49Å; F144-I272 VanDerWaalsContact CZ-CG2 3.49Å
145	S	71.2	Confident	55.5	Low	64 Å²	64	93.3 Å²	93.3	45%	0.448	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.5	-179.1	-56.5	0	0	0	0	108.4	V147 I163 D164	S145-V147 PolarHBondContact O-N 3.37Å; S145-I163 CarbonylContact O-C 3.58Å; S145-I163 WeakPolarHBondContact O-CA 3.39Å; S145-D164 PolarHBondContact N-O 2.91Å; S145-D164 PolarHBondContact O-N 2.85Å
146	R	62.6	Low	54.6	Low	122 Å²	122	89.9 Å²	89.9	46%	0.46	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.6	169.5	-171.6	179.9	-175.5	-168.1	1.6	107.7	Y148	R146-Y148 PolarHBondContact O-N 3.12Å; R146-Y148 VanDerWaalsContact O-N 3.14Å
147	V	57.4	Low	53.3	Low	32 Å²	32	91.7 Å²	91.7	19%	0.194	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.7	176.4	-170	0	0	0	0	106.6	S145 F162 D164	S145-V147 PolarHBondContact O-N 3.37Å; V147-F162 HydrophobicContact CB-CB 3.94Å; V147-F162 HydrophobicContact CG2-CB 3.93Å; V147-F162 PolarHBondContact N-O 3.42Å; V147-D164 HydrophobicContact CG2-CB 3.91Å; V147-D164 WeakPolarHBondContact CG2-OD1 3.49Å; V147-D164 WeakPolarHBondContact CG2-OD2 3.33Å
148	Y	48.8	Very low	52.1	Low	207 Å²	207	96.7 Å²	96.7	81%	0.812	47%	0.474	S	S	*	.			trans	21.1	103.6	165.6	-81	-92.9	0	0	0	116.5	R146	R146-Y148 PolarHBondContact O-N 3.12Å; R146-Y148 VanDerWaalsContact O-N 3.14Å
149	I	43.7	Very low	51.3	Low	72 Å²	72	94.7 Å²	94.7	37%	0.369	46%	0.463	S	S	.	.			trans	-114.9	102.5	138.7	-64.7	167.5	0	0	0	103.6	D151 W161	I149-D151 PolarHBondContact O-N 3.3Å; I149-D151 VanDerWaalsContact O-N 3.17Å; I149-W161 HydrophobicContact CD1-CB 3.91Å
150	Q	35.1	Very low	51	Low	158 Å²	158	92.3 Å²	92.3	74%	0.738	45%	0.449	S	S	*	.			trans	-56	116.3	175.5	-152.4	172.5	2.2	0	0	107.6	N152	Q150-N152 PolarHBondContact O-N 2.9Å; Q150-N152 VanDerWaalsContact O-N 3.1Å
151	D	34.2	Very low	50.8	Low	150 Å²	150	91.9 Å²	91.9	80%	0.802	44%	0.444	S	S	*	.	S	Bend	trans	45.4	46.1	158.6	-56	-36.9	0	0	0	119.1	I149	I149-D151 PolarHBondContact O-N 3.3Å; I149-D151 VanDerWaalsContact O-N 3.17Å
152	N	33.3	Very low	51	Low	80 Å²	80	87.4 Å²	87.4	43%	0.428	43%	0.43	S	S	.	.			trans	-133.6	106.2	168.8	-133.5	-26.3	0	0	0	113.7	Q150 N154	Q150-N152 PolarHBondContact O-N 2.9Å; Q150-N152 VanDerWaalsContact O-N 3.1Å; N152-N154 PolarHBondContact O-N 3.12Å
153	P	34.4	Very low	51.3	Low	101 Å²	101	85.9 Å²	85.9	66%	0.656	42%	0.42	S	S	*	.			trans	-79.2	3.8	177.9	29.4	-31.4	0	0	0	114.2
154	N	35.6	Very low	51.5	Low	89 Å²	89	84.5 Å²	84.5	48%	0.476	41%	0.411	S	S	.	.			trans	-101	100.8	-178.1	-67.7	-34.7	0	0	0	111	N152	N152-N154 PolarHBondContact O-N 3.12Å
155	Y	34.8	Very low	52.1	Low	160 Å²	160	80.8 Å²	80.8	63%	0.627	39%	0.394	S	S	*	.			trans	-69	126.5	178.7	-58	-91.5	0	0	0	111.7
156	C	39.1	Very low	52.7	Low	21 Å²	21	79 Å²	79	14%	0.142	38%	0.38	C	S	.	.			trans	-85.8	144.3	154.1	-78.1	0	0	0	0	109.8	F158 D159	C156-F158 PolarHBondContact O-N 2.82Å; C156-D159 PolarHBondContact N-OD2 2.95Å; C156-D159 WeakPolarHBondContact O-CB 3.23Å; C156-D159 PolarHBondContact O-N 3.04Å
157	L	37.3	Very low	53.8	Low	64 Å²	64	73.2 Å²	73.2	34%	0.335	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-8.1	177.2	-88.2	157.1	0	0	0	114.4	V261	L157-V261 WeakPolarHBondContact CD2-O 3.39Å
158	F	42.3	Very low	55.1	Low	129 Å²	129	72.8 Å²	72.8	57%	0.566	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	1.3	176.2	-51.2	-72.2	0	0	0	113.3	C156 T160	C156-F158 PolarHBondContact O-N 2.82Å; F158-T160 PolarHBondContact O-N 2.89Å
159	D	48.6	Very low	56.6	Low	63 Å²	63	63 Å²	63	34%	0.337	32%	0.318	S	S	.	.			trans	-66.8	109.3	-179.1	-72.9	-20.7	0	0	0	109.4	C156	C156-D159 PolarHBondContact N-OD2 2.95Å; C156-D159 WeakPolarHBondContact O-CB 3.23Å; C156-D159 PolarHBondContact O-N 3.04Å
160	T	57.8	Low	58.5	Low	42 Å²	42	60.1 Å²	60.1	26%	0.258	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120	166	58.1	0	0	0	0	107.4	F158 Y192 K254 V255	F158-T160 PolarHBondContact O-N 2.89Å; T160-Y192 WeakPolarHBondContact CG2-OH 3.45Å; T160-K254 HydrophobicContact CG2-CD 4.39Å; T160-K254 HydrophobicContact CG2-CG 4.27Å; T160-V255 CarbonylContact C-O 3.42Å; T160-V255 WeakPolarHBondContact CA-O 3.28Å
161	W	64.6	Low	60.6	Low	39 Å²	39	53 Å²	53	15%	0.148	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	153.1	168.9	62.5	95.7	0	0	0	109.6	I149 P183 V255 L257	I149-W161 HydrophobicContact CD1-CB 3.91Å; W161-P183 HydrophobicContact CH2-CG 3.89Å; W161-P183 HydrophobicContact CZ2-CG 4.02Å; W161-V255 HydrophobicContact CD2-CB 4.11Å; W161-V255 HydrophobicContact CD2-CG1 4.34Å; W161-V255 HydrophobicContact CG-CB 4.43Å; W161-V255 HydrophobicContact CH2-CG1 3.85Å; W161-V255 HydrophobicContact CZ2-CB 3.9Å; W161-V255 HydrophobicContact CZ2-CG1 3.24Å; W161-V255 PolarHBondContact N-O 2.94Å; W161-V255 PolarHBondContact O-N 2.98Å; W161-L257 HydrophobicContact CH2-CD2 4.35Å; W161-L257 HydrophobicContact CH2-CG 4.49Å; W161-L257 HydrophobicContact CZ3-CG 4.32Å
162	F	73.6	Confident	62.7	Low	72 Å²	72	46.5 Å²	46.5	32%	0.316	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.6	175.2	-56.5	-82.5	0	0	0	110	V147 L196 R252 F253 K254	V147-F162 HydrophobicContact CB-CB 3.94Å; V147-F162 HydrophobicContact CG2-CB 3.93Å; V147-F162 PolarHBondContact N-O 3.42Å; F162-L196 HydrophobicContact CD1-CD1 3.73Å; F162-L196 HydrophobicContact CE1-CD1 3.63Å; F162-R252 HydrophobicContact CB-CG 4.14Å; F162-R252 HydrophobicContact CD1-CG 4.15Å; F162-F253 CarbonylContact C-O 3.12Å; F162-F253 VanDerWaalsContact CA-O 3.23Å; F162-F253 WeakPolarHBondContact CA-O 3.22Å; F162-K254 HydrophobicContact CD1-CB 4.24Å; F162-K254 HydrophobicContact CE1-CB 4.2Å; F162-K254 HydrophobicContact CE1-CG 4.21Å
163	I	77.3	Confident	64.8	Low	14 Å²	14	46.7 Å²	46.7	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.8	173.9	-59	-178.8	0	0	0	106.8	F144 S145 F253 V255 L270	F144-I163 HydrophobicContact CB-CG2 3.87Å; F144-I163 HydrophobicContact CD1-CG2 3.86Å; F144-I163 HydrophobicContact CG-CG2 4.33Å; S145-I163 CarbonylContact O-C 3.58Å; S145-I163 WeakPolarHBondContact O-CA 3.39Å; I163-F253 HydrophobicContact CB-CB 4.46Å; I163-F253 PolarHBondContact N-O 2.89Å; I163-F253 PolarHBondContact O-N 3.16Å; I163-V255 HydrophobicContact CD1-CB 4.48Å; I163-V255 HydrophobicContact CD1-CG2 3.58Å; I163-V255 HydrophobicContact CG1-CG2 4.07Å; I163-L270 HydrophobicContact CD1-CD2 3.14Å
164	D	80.4	Confident	66.9	Low	18 Å²	18	42.3 Å²	42.3	10%	0.096	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.9	170.1	-75.9	-15.3	0	0	0	109	F144 S145 V147 Y199 M251 R252	F144-D164 CarbonylContact C-O 3.51Å; F144-D164 VanDerWaalsContact CA-O 3.27Å; F144-D164 WeakPolarHBondContact CA-O 3.47Å; S145-D164 PolarHBondContact N-O 2.91Å; S145-D164 PolarHBondContact O-N 2.85Å; V147-D164 HydrophobicContact CG2-CB 3.91Å; V147-D164 WeakPolarHBondContact CG2-OD1 3.49Å; V147-D164 WeakPolarHBondContact CG2-OD2 3.33Å; D164-Y199 HydrophobicContact CB-CE1 4.43Å; D164-Y199 PolarHBondContact OD2-OH 3.48Å; D164-M251 CarbonylContact C-O 3.28Å; D164-M251 WeakPolarHBondContact CA-O 3.46Å; D164-R252 WeakPolarHBondContact OD1-CB 2.98Å; D164-R252 WeakPolarHBondContact OD1-CG 3.12Å; D164-R252 IonicContact OD1-CZ 2.69Å; D164-R252 IonicContact OD1-NE 3.68Å; D164-R252 PolarHBondContact OD1-NE 2.97Å; D164-R252 IonicContact OD1-NH2 3.45Å; D164-R252 PolarHBondContact OD1-NH2 2.87Å; D164-R252 IonicContact OD2-CZ 3.5Å; D164-R252 IonicContact OD2-NE 3.76Å; D164-R252 IonicContact OD2-NH2 2.92Å; D164-R252 PolarHBondContact OD2-NH2 2.86Å
165	S	82.6	Confident	69	Low	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.3	166.5	76.1	0	0	0	0	109	T143 M250 M251	T143-S165 CarbonylContact O-C 3.54Å; T143-S165 VanDerWaalsContact O-CA 3.3Å; T143-S165 WeakPolarHBondContact O-CA 3.44Å; S165-M250 CarbonylContact O-C 3.55Å; S165-M250 VanDerWaalsContact O-CA 3.25Å; S165-M250 WeakPolarHBondContact O-CA 3.18Å; S165-M251 PolarHBondContact N-O 2.91Å; S165-M251 PolarHBondContact O-N 2.87Å; S165-M251 WeakPolarHBondContact OG-CB 3.18Å
166	V	84.2	Confident	71.2	Confident	26 Å²	26	31.5 Å²	31.5	16%	0.158	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.1	165.1	-176.3	0	0	0	0	107.3	V142 T143 V168 M250	V142-V166 VanDerWaalsContact CA-O 3.3Å; V142-V166 WeakPolarHBondContact CA-O 3.46Å; T143-V166 PolarHBondContact N-O 2.9Å; T143-V166 PolarHBondContact O-N 3.33Å; T143-V166 WeakPolarHBondContact OG1-CB 3.27Å; V166-V168 HydrophobicContact CG1-CG2 4.17Å; V166-M250 HydrophobicContact CG1-CE 4.2Å; V166-M250 HydrophobicContact CG1-CG 4.26Å; V166-M250 HydrophobicContact CG2-CE 4.41Å; V166-M250 HydrophobicContact CG2-CG 4.09Å; V166-M250 HydrophobicContact CG2-SD 4.27Å
167	I	85.2	Confident	73.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	103.6	-179.6	-54.3	172.6	0	0	0	107.1	R141 V142 L169 L176 M178 S248 I249 M251 M274	R141-I167 CarbonylContact O-C 3.56Å; R141-I167 WeakPolarHBondContact O-CA 3.33Å; V142-I167 HydrophobicContact CG1-CG1 4.21Å; V142-I167 HydrophobicContact CG2-CG2 4.42Å; I167-L169 HydrophobicContact CG2-CD2 3.97Å; I167-L169 HydrophobicContact CG2-CG 4.03Å; I167-L176 HydrophobicContact CD1-CD2 4.01Å; I167-M178 HydrophobicContact CD1-CE 3.61Å; I167-M178 HydrophobicContact CD1-SD 3.85Å; I167-S248 CarbonylContact O-C 3.57Å; I167-S248 VanDerWaalsContact O-CA 3.23Å; I167-S248 WeakPolarHBondContact O-CA 3.36Å; I167-I249 PolarHBondContact N-O 3.15Å; I167-I249 PolarHBondContact O-N 3.5Å; I167-M251 HydrophobicContact CD1-CE 4.28Å; I167-M251 HydrophobicContact CD1-SD 4.27Å; I167-M274 HydrophobicContact CD1-CE 4.26Å; I167-M274 HydrophobicContact CG1-CE 4.45Å; I167-M274 HydrophobicContact CG2-CE 4.33Å
168	V	84.3	Confident	75.3	Confident	23 Å²	23	29.2 Å²	29.2	14%	0.139	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.5	175.1	-175.3	0	0	0	0	107.9	P137 I140 R141 V166 F247	P137-V168 HydrophobicContact CB-CG1 3.61Å; P137-V168 HydrophobicContact CG-CG1 3.54Å; I140-V168 VanDerWaalsContact CA-O 3.27Å; I140-V168 WeakPolarHBondContact CA-O 3.41Å; R141-V168 HydrophobicContact CB-CB 4.2Å; R141-V168 PolarHBondContact N-O 3.14Å; R141-V168 PolarHBondContact O-N 2.92Å; V166-V168 HydrophobicContact CG1-CG2 4.17Å; V168-F247 HydrophobicContact CG1-CB 4.49Å
169	L	81.1	Confident	77.3	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.			trans	-117.6	137.2	-176.4	-67	170.7	0	0	0	110.2	P137 I140 I167 H174 I234 V236 F247 I249	P137-L169 VanDerWaalsContact CG-O 3.29Å; P137-L169 WeakPolarHBondContact CG-O 3.02Å; I140-L169 HydrophobicContact CD1-CD2 3.95Å; I140-L169 HydrophobicContact CG1-CD2 3.93Å; I140-L169 HydrophobicContact CG2-CD2 4.05Å; I167-L169 HydrophobicContact CG2-CD2 3.97Å; I167-L169 HydrophobicContact CG2-CG 4.03Å; L169-H174 HydrophobicContact CD2-CB 4.48Å; L169-I234 HydrophobicContact CD1-CB 4.15Å; L169-I234 HydrophobicContact CD1-CD1 3.94Å; L169-I234 HydrophobicContact CD1-CG2 3.74Å; L169-V236 HydrophobicContact CB-CG2 3.82Å; L169-V236 HydrophobicContact CD1-CG2 4.15Å; L169-F247 PolarHBondContact N-O 2.84Å; L169-I249 HydrophobicContact CD1-CD1 4.22Å
170	P	82.7	Confident	78.9	Confident	13 Å²	13	22 Å²	22	8%	0.084	12%	0.12	C	C	.	.			trans	-65.7	163.1	170.2	29.2	-31.4	0	0	0	110.7	P137 I140 H174 V236	P137-P170 WeakPolarHBondContact O-CA 3.4Å; P137-P170 WeakPolarHBondContact O-CB 3.17Å; I140-P170 HydrophobicContact CG1-CG 4.27Å; P170-H174 PolarHBondContact O-CD2 2.84Å; P170-H174 PolarHBondContact O-NE2 2.82Å; P170-V236 WeakPolarHBondContact O-CB 3.11Å
171	P	79.2	Confident	80.1	Confident	8 Å²	8	21.1 Å²	21.1	5%	0.052	12%	0.115	C	C	.	.	S	Bend	trans	-63.2	143.5	172.4	-15.1	21.7	0	0	0	112.9	P136 P137 V236 F247 Y285	P136-P171 HydrophobicContact CB-CG 3.32Å; P136-P171 HydrophobicContact CG-CG 3.98Å; P137-P171 WeakPolarHBondContact O-CD 3.35Å; P171-V236 WeakPolarHBondContact CA-O 3.4Å; P171-F247 HydrophobicContact CG-CE1 4.26Å; P171-Y285 WeakPolarHBondContact CA-OH 3.44Å; P171-Y285 WeakPolarHBondContact CB-OH 3.42Å; P171-Y285 WeakPolarHBondContact CD-OH 3.35Å; P171-Y285 HydrophobicContact CG-CE1 4.04Å; P171-Y285 WeakPolarHBondContact CG-OH 3.22Å; P171-Y285 PolarHBondContact O-OH 3.07Å
172	G	78.5	Confident	80.9	Confident	14 Å²	14	19.2 Å²	19.2	14%	0.144	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.8	-174.4	-175.3	0	0	0	0	0	113.2	H174 C235 V236	G172-H174 PolarHBondContact O-CD2 3.47Å; G172-C235 WeakPolarHBondContact O-CA 3.42Å; G172-V236 PolarHBondContact N-O 2.81Å; G172-V236 PolarHBondContact O-N 2.74Å
173	N	77.8	Confident	81.2	Confident	83 Å²	83	16.1 Å²	16.1	44%	0.444	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.1	173.9	-76	-24.2	0	0	0	109.8	C235	N173-C235 VanDerWaalsContact OD1-CB 3.23Å; N173-C235 WeakPolarHBondContact OD1-CB 3.28Å; N173-C235 PolarHBondContact OD1-SG 2.77Å
174	H	79	Confident	81.5	Confident	10 Å²	10	16.1 Å²	16.1	5%	0.046	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.1	-175	-65.8	-76	0	0	0	110.9	L169 P170 G172 Q233 I234 H276	L169-H174 HydrophobicContact CD2-CB 4.48Å; P170-H174 PolarHBondContact O-CD2 2.84Å; P170-H174 PolarHBondContact O-NE2 2.82Å; G172-H174 PolarHBondContact O-CD2 3.47Å; H174-Q233 WeakPolarHBondContact O-CA 3.11Å; H174-I234 PolarHBondContact N-O 2.8Å; H174-I234 PolarHBondContact O-N 2.78Å; H174-H276 AromaticContact CE1-NE2 3.92Å; H174-H276 AromaticContact CG-CE1 3.64Å; H174-H276 AromaticContact ND1-CE1 3.03Å; H174-H276 PolarHBondContact ND1-CE1 3.22Å; H174-H276 AromaticContact ND1-NE2 3.05Å; H174-H276 PolarHBondContact ND1-NE2 2.81Å
175	S	79.7	Confident	81.3	Confident	20 Å²	20	17.7 Å²	17.7	14%	0.14	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113	163.1	-49	0	0	0	0	108.6	Q233 H276 L277	S175-Q233 VanDerWaalsContact CB-NE2 3.26Å; S175-Q233 PolarHBondContact OG-NE2 2.81Å; S175-Q233 PolarHBondContact OG-OE1 2.78Å; S175-H276 PolarHBondContact O-ND1 3.34Å; S175-L277 WeakPolarHBondContact CA-O 2.96Å; S175-L277 WeakPolarHBondContact CB-O 3.28Å; S175-L277 PolarHBondContact N-O 2.63Å; S175-L277 PolarHBondContact O-N 3.12Å; S175-L277 PolarHBondContact OG-O 2.81Å
176	L	79.7	Confident	81.1	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.6	178.5	-162.5	79.9	0	0	0	109.3	I167 M178 M230 T231 S232 I234 M274	I167-L176 HydrophobicContact CD1-CD2 4.01Å; L176-M178 HydrophobicContact CD2-CE 3.77Å; L176-M178 HydrophobicContact CD2-CG 4.11Å; L176-M178 HydrophobicContact CD2-SD 4.17Å; L176-M178 HydrophobicContact CG-CG 4.18Å; L176-M230 HydrophobicContact CD2-CE 4.43Å; L176-T231 CarbonylContact O-C 3.6Å; L176-T231 VanDerWaalsContact O-CA 3.24Å; L176-T231 WeakPolarHBondContact O-CA 3.45Å; L176-S232 PolarHBondContact N-O 3.05Å; L176-S232 PolarHBondContact O-N 2.86Å; L176-I234 HydrophobicContact CB-CD1 4.31Å; L176-I234 HydrophobicContact CD2-CD1 4.29Å; L176-M274 HydrophobicContact CD1-CE 3.72Å; L176-M274 HydrophobicContact CD1-CG 4.13Å; L176-M274 HydrophobicContact CD1-SD 3.62Å; L176-M274 HydrophobicContact CD2-CE 4.35Å; L176-M274 HydrophobicContact CG-CE 4.31Å
177	I	81.4	Confident	80.6	Confident	38 Å²	38	30.2 Å²	30.2	20%	0.195	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119	170.7	-54.9	176.5	0	0	0	107	T229 M230 T231 M274 E275 L277	I177-T229 HydrophobicContact CG2-CG2 3.91Å; I177-M230 CarbonylContact C-O 3.54Å; I177-M230 WeakPolarHBondContact CA-O 3.16Å; I177-T231 HydrophobicContact CB-CG2 4.49Å; I177-T231 HydrophobicContact CG1-CG2 4.1Å; I177-T231 HydrophobicContact CG2-CG2 4.23Å; I177-M274 CarbonylContact O-C 3.47Å; I177-M274 WeakPolarHBondContact O-CA 3.47Å; I177-E275 WeakPolarHBondContact CA-O 3.2Å; I177-E275 HydrophobicContact CB-CB 4.06Å; I177-E275 WeakPolarHBondContact CB-O 3.29Å; I177-E275 HydrophobicContact CG2-CB 4.47Å; I177-E275 PolarHBondContact N-O 3.43Å; I177-E275 PolarHBondContact O-N 2.85Å; I177-E275 VanDerWaalsContact O-O 3.09Å; I177-L277 HydrophobicContact CD1-CD1 3.92Å
178	M	82.2	Confident	80.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.7	176.7	-68.8	-164.1	-70.7	0	0	110.8	I167 L176 F180 T229 M230 M251 K273 M274	I167-M178 HydrophobicContact CD1-CE 3.61Å; I167-M178 HydrophobicContact CD1-SD 3.85Å; L176-M178 HydrophobicContact CD2-CE 3.77Å; L176-M178 HydrophobicContact CD2-CG 4.11Å; L176-M178 HydrophobicContact CD2-SD 4.17Å; L176-M178 HydrophobicContact CG-CG 4.18Å; M178-F180 HydrophobicContact CB-CD2 4.18Å; M178-F180 HydrophobicContact CB-CE2 3.39Å; M178-F180 HydrophobicContact CB-CZ 3.79Å; M178-F180 HydrophobicContact CE-CE2 4.04Å; M178-F180 HydrophobicContact CE-CZ 3.71Å; M178-F180 HydrophobicContact CG-CE2 4.44Å; M178-F180 HydrophobicContact CG-CZ 4.44Å; M178-F180 HydrophobicContact SD-CE2 4.31Å; M178-F180 HydrophobicContact SD-CZ 3.79Å; M178-T229 CarbonylContact O-C 3.53Å; M178-T229 WeakPolarHBondContact O-CA 3.47Å; M178-M230 HydrophobicContact CB-CB 4.48Å; M178-M230 HydrophobicContact CE-CE 3.09Å; M178-M230 HydrophobicContact CE-SD 4.1Å; M178-M230 PolarHBondContact N-O 3.13Å; M178-M230 PolarHBondContact O-N 3.17Å; M178-M251 HydrophobicContact CE-SD 4.12Å; M178-K273 CarbonylContact C-O 3.57Å; M178-K273 WeakPolarHBondContact CA-O 3.42Å; M178-M274 HydrophobicContact CG-CB 4.3Å; M178-M274 HydrophobicContact CG-CE 3.68Å; M178-M274 HydrophobicContact CG-CG 4.18Å; M178-M274 HydrophobicContact SD-CE 3.35Å; M178-M274 WeakPolarHBondContact SD-CE 3.1Å
179	N	83	Confident	80.1	Confident	41 Å²	41	35 Å²	35	22%	0.219	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.6	174.5	-66.2	-38.8	0	0	0	109.2	T229 I272 K273	N179-T229 VanDerWaalsContact OD1-CB 3.29Å; N179-T229 WeakPolarHBondContact OD1-CB 3.43Å; N179-T229 WeakPolarHBondContact OD1-CG2 3.42Å; N179-T229 PolarHBondContact OD1-OG1 3.06Å; N179-I272 WeakPolarHBondContact O-CA 3.37Å; N179-K273 HydrophobicContact CB-CB 4.3Å; N179-K273 PolarHBondContact N-O 2.87Å; N179-K273 PolarHBondContact O-N 2.81Å
180	F	83.4	Confident	79.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.3	178.6	-65.1	-87.7	0	0	0	110	F144 M178 I193 V227 F228 M230 F253 I272	F144-F180 HydrophobicContact CE1-CE1 4.3Å; M178-F180 HydrophobicContact CB-CD2 4.18Å; M178-F180 HydrophobicContact CB-CE2 3.39Å; M178-F180 HydrophobicContact CB-CZ 3.79Å; M178-F180 HydrophobicContact CE-CE2 4.04Å; M178-F180 HydrophobicContact CE-CZ 3.71Å; M178-F180 HydrophobicContact CG-CE2 4.44Å; M178-F180 HydrophobicContact CG-CZ 4.44Å; M178-F180 HydrophobicContact SD-CE2 4.31Å; M178-F180 HydrophobicContact SD-CZ 3.79Å; F180-I193 HydrophobicContact CB-CD1 4.15Å; F180-I193 HydrophobicContact CB-CG2 4.04Å; F180-I193 HydrophobicContact CD1-CD1 3.7Å; F180-I193 HydrophobicContact CG-CD1 4.3Å; F180-V227 VanDerWaalsContact O-CA 3.26Å; F180-V227 WeakPolarHBondContact O-CA 3.4Å; F180-V227 WeakPolarHBondContact O-CG1 3.37Å; F180-F228 HydrophobicContact CB-CD1 4.06Å; F180-F228 HydrophobicContact CB-CD2 4.49Å; F180-F228 HydrophobicContact CB-CE1 3.74Å; F180-F228 HydrophobicContact CB-CE2 4.19Å; F180-F228 HydrophobicContact CB-CG 4.43Å; F180-F228 HydrophobicContact CB-CZ 3.8Å; F180-F228 AromaticContact CD2-CD2 3.96Å; F180-F228 HydrophobicContact CD2-CD2 3.96Å; F180-F228 HydrophobicContact CD2-CE1 4.33Å; F180-F228 AromaticContact CD2-CE2 3.31Å; F180-F228 HydrophobicContact CD2-CE2 3.31Å; F180-F228 AromaticContact CD2-CZ 3.53Å; F180-F228 HydrophobicContact CD2-CZ 3.53Å; F180-F228 AromaticContact CE2-CE2 3.91Å; F180-F228 HydrophobicContact CE2-CE2 3.91Å; F180-F228 HydrophobicContact CE2-CZ 4.22Å; F180-F228 HydrophobicContact CG-CE1 4.16Å; F180-F228 AromaticContact CG-CE2 3.96Å; F180-F228 HydrophobicContact CG-CE2 3.96Å; F180-F228 AromaticContact CG-CZ 3.69Å; F180-F228 HydrophobicContact CG-CZ 3.69Å; F180-F228 PolarHBondContact N-O 3.47Å; F180-F228 PolarHBondContact O-N 3.47Å; F180-M230 HydrophobicContact CD2-CB 4.49Å; F180-M230 HydrophobicContact CE2-CB 4.05Å; F180-M230 HydrophobicContact CE2-SD 4.49Å; F180-F253 HydrophobicContact CD1-CD1 4.33Å; F180-F253 HydrophobicContact CD1-CE1 4.11Å; F180-F253 HydrophobicContact CD2-CE1 4.4Å; F180-F253 HydrophobicContact CE1-CD1 4.02Å; F180-F253 HydrophobicContact CE1-CD2 4.49Å; F180-F253 AromaticContact CE1-CE1 3.5Å; F180-F253 HydrophobicContact CE1-CE1 3.5Å; F180-F253 HydrophobicContact CE1-CE2 4.05Å; F180-F253 HydrophobicContact CE1-CG 4.5Å; F180-F253 AromaticContact CE1-CZ 3.54Å; F180-F253 HydrophobicContact CE1-CZ 3.54Å; F180-F253 AromaticContact CE2-CE1 3.83Å; F180-F253 HydrophobicContact CE2-CE1 3.83Å; F180-F253 HydrophobicContact CE2-CZ 4.05Å; F180-F253 HydrophobicContact CZ-CD1 4.31Å; F180-F253 AromaticContact CZ-CE1 3.35Å; F180-F253 HydrophobicContact CZ-CE1 3.35Å; F180-F253 HydrophobicContact CZ-CE2 4.09Å; F180-F253 AromaticContact CZ-CZ 3.24Å; F180-F253 HydrophobicContact CZ-CZ 3.24Å; F180-I272 HydrophobicContact CD1-CB 4.38Å; F180-I272 HydrophobicContact CD1-CD1 4.15Å; F180-I272 HydrophobicContact CD1-CG1 3.9Å; F180-I272 HydrophobicContact CD1-CG2 3.73Å; F180-I272 HydrophobicContact CE1-CB 4.48Å; F180-I272 HydrophobicContact CE1-CD1 4.09Å; F180-I272 HydrophobicContact CE1-CG1 4.21Å; F180-I272 HydrophobicContact CE1-CG2 3.51Å; F180-I272 HydrophobicContact CZ-CG2 4.16Å
181	S	83.1	Confident	79.7	Confident	22 Å²	22	36 Å²	36	15%	0.154	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.9	172.1	-54.5	0	0	0	0	109	S226 L270 T271	S181-S226 CarbonylContact C-O 3.57Å; S181-S226 WeakPolarHBondContact CA-O 3.5Å; S181-L270 WeakPolarHBondContact O-CD1 3.49Å; S181-T271 PolarHBondContact N-O 2.91Å; S181-T271 PolarHBondContact O-N 2.86Å; S181-T271 VanDerWaalsContact O-N 3.07Å
182	G	80	Confident	79.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	175.9	177.7	0	0	0	0	0	112.6	S184 S226	G182-S184 PolarHBondContact O-N 2.86Å; G182-S184 PolarHBondContact O-OG 2.94Å; G182-S226 PolarHBondContact N-O 2.96Å
183	P	81.1	Confident	79.8	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	113.4	179.9	-25.9	33.9	0	0	0	111.1	W161 Y190 G191 V255 L257 T268 N269	W161-P183 HydrophobicContact CH2-CG 3.89Å; W161-P183 HydrophobicContact CZ2-CG 4.02Å; P183-Y190 PolarHBondContact O-N 3.29Å; P183-G191 PolarHBondContact O-N 3.24Å; P183-V255 HydrophobicContact CG-CG1 3.72Å; P183-L257 HydrophobicContact CB-CD2 4.15Å; P183-L257 HydrophobicContact CG-CD2 4.24Å; P183-T268 HydrophobicContact CB-CG2 3.73Å; P183-N269 WeakPolarHBondContact CA-O 3.39Å
184	S	82.1	Confident	79.7	Confident	15 Å²	15	35.8 Å²	35.8	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.7	-176.9	54.3	0	0	0	0	112.9	G182 V188 N269	G182-S184 PolarHBondContact O-N 2.86Å; G182-S184 PolarHBondContact O-OG 2.94Å; S184-V188 CarbonylContact C-O 3.45Å; S184-V188 WeakPolarHBondContact CA-O 3.5Å; S184-V188 VanDerWaalsContact CB-O 3.28Å; S184-V188 WeakPolarHBondContact CB-O 3.44Å; S184-N269 PolarHBondContact N-O 2.78Å; S184-N269 PolarHBondContact O-N 2.76Å
185	L	78	Confident	79.7	Confident	50 Å²	50	37.6 Å²	37.6	26%	0.262	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.3	171.5	-178	64.6	0	0	0	108.2	N187 V188 Y190 P265	L185-N187 VanDerWaalsContact C-N 3.28Å; L185-N187 PolarHBondContact O-N 3.38Å; L185-V188 PolarHBondContact N-O 3.44Å; L185-V188 WeakPolarHBondContact O-CB 3.45Å; L185-V188 PolarHBondContact O-N 3.32Å; L185-Y190 HydrophobicContact CB-CE2 4.17Å; L185-P265 HydrophobicContact CD2-CB 4.17Å; L185-P265 HydrophobicContact CD2-CG 3.59Å
186	N	78.3	Confident	79.4	Confident	145 Å²	145	39.3 Å²	39.3	78%	0.775	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.3	179.4	-59.6	-25.5	0	0	0	113.6	V188	N186-V188 PolarHBondContact O-N 2.78Å
187	N	72.9	Confident	79.1	Confident	145 Å²	145	43.7 Å²	43.7	78%	0.775	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	8.7	-175.9	-60.7	-23.5	0	0	0	116.1	L185	L185-N187 VanDerWaalsContact C-N 3.28Å; L185-N187 PolarHBondContact O-N 3.38Å
188	V	78.1	Confident	78.9	Confident	78 Å²	78	43.4 Å²	43.4	47%	0.473	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.7	170.7	-176.4	0	0	0	0	109	S184 L185 N186 Y190	S184-V188 CarbonylContact C-O 3.45Å; S184-V188 WeakPolarHBondContact CA-O 3.5Å; S184-V188 VanDerWaalsContact CB-O 3.28Å; S184-V188 WeakPolarHBondContact CB-O 3.44Å; L185-V188 PolarHBondContact N-O 3.44Å; L185-V188 WeakPolarHBondContact O-CB 3.45Å; L185-V188 PolarHBondContact O-N 3.32Å; N186-V188 PolarHBondContact O-N 2.78Å; V188-Y190 HydrophobicContact CB-CE2 4.1Å; V188-Y190 HydrophobicContact CG1-CE2 3.96Å; V188-Y190 WeakPolarHBondContact O-CD2 3.47Å; V188-Y190 WeakPolarHBondContact O-CE2 2.82Å
189	Y	80.7	Confident	78.6	Confident	46 Å²	46	47.7 Å²	47.7	18%	0.18	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.5	-179.2	-68.2	-90.2	0	0	0	111.3	L219 V227	Y189-L219 HydrophobicContact CD2-CD1 3.3Å; Y189-L219 HydrophobicContact CD2-CD2 4.32Å; Y189-L219 HydrophobicContact CD2-CG 4.39Å; Y189-L219 HydrophobicContact CE2-CD1 3.71Å; Y189-L219 HydrophobicContact CG-CD1 3.82Å; Y189-V227 HydrophobicContact CE1-CG2 3.53Å; Y189-V227 HydrophobicContact CE2-CG2 4.23Å; Y189-V227 WeakPolarHBondContact OH-CG2 3.13Å
190	Y	76.8	Confident	78.5	Confident	35 Å²	35	49.4 Å²	49.4	14%	0.137	25%	0.245	C	C	.	.			trans	-101.9	-10	176.6	-63.3	-89.9	0	0	0	112.2	P183 L185 V188 L257 F258 V261 P264 P265 T268	P183-Y190 PolarHBondContact O-N 3.29Å; L185-Y190 HydrophobicContact CB-CE2 4.17Å; V188-Y190 HydrophobicContact CB-CE2 4.1Å; V188-Y190 HydrophobicContact CG1-CE2 3.96Å; V188-Y190 WeakPolarHBondContact O-CD2 3.47Å; V188-Y190 WeakPolarHBondContact O-CE2 2.82Å; Y190-L257 WeakPolarHBondContact O-CA 3.44Å; Y190-F258 PolarHBondContact O-N 3.07Å; Y190-V261 HydrophobicContact CD1-CG1 3.68Å; Y190-V261 HydrophobicContact CE1-CG1 4.25Å; Y190-P264 HydrophobicContact CD1-CB 4.1Å; Y190-P264 HydrophobicContact CD1-CG 4.49Å; Y190-P264 HydrophobicContact CD2-CB 4.49Å; Y190-P264 HydrophobicContact CG-CB 3.95Å; Y190-P264 HydrophobicContact CG-CG 4.39Å; Y190-P265 HydrophobicContact CE1-CG 4.49Å; Y190-P265 HydrophobicContact CE2-CG 4.24Å; Y190-T268 HydrophobicContact CD2-CG2 3.91Å; Y190-T268 HydrophobicContact CG-CG2 4.47Å
191	G	78.1	Confident	78.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	-177.3	-177.1	0	0	0	0	0	114.5	P183 G256 F258	P183-G191 PolarHBondContact O-N 3.24Å; G191-G256 CarbonylContact C-O 3.57Å; G191-G256 WeakPolarHBondContact CA-O 3.18Å; G191-F258 VanDerWaalsContact C-CE2 3.4Å; G191-F258 WeakPolarHBondContact O-CE2 2.92Å; G191-F258 WeakPolarHBondContact O-CZ 3.05Å
192	Y	78.9	Confident	78.6	Confident	32 Å²	32	50.7 Å²	50.7	13%	0.125	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	159.5	-179.2	62.4	-89.1	0	0	0	111.2	T160 K254 V255 G256 F258	T160-Y192 WeakPolarHBondContact CG2-OH 3.45Å; Y192-K254 HydrophobicContact CE2-CD 4.49Å; Y192-K254 HydrophobicContact CE2-CG 4.43Å; Y192-V255 WeakPolarHBondContact O-CA 3.16Å; Y192-V255 WeakPolarHBondContact O-CG1 3.48Å; Y192-G256 WeakPolarHBondContact CD1-O 3.48Å; Y192-G256 PolarHBondContact N-O 3.42Å; Y192-G256 PolarHBondContact O-N 3.48Å; Y192-G256 VanDerWaalsContact O-N 3.12Å; Y192-F258 AromaticContact CD1-CD1 3.98Å; Y192-F258 HydrophobicContact CD1-CD1 3.98Å; Y192-F258 AromaticContact CD1-CE1 3.93Å; Y192-F258 HydrophobicContact CD1-CE1 3.93Å; Y192-F258 HydrophobicContact CG-CE1 4.29Å
193	I	80.9	Confident	78.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	169.2	178.9	159.1	0	0	0	108.4	F180 P225 F228 F253 K254 V255 L270	F180-I193 HydrophobicContact CB-CD1 4.15Å; F180-I193 HydrophobicContact CB-CG2 4.04Å; F180-I193 HydrophobicContact CD1-CD1 3.7Å; F180-I193 HydrophobicContact CG-CD1 4.3Å; I193-P225 PolarHBondContact N-O 3.44Å; I193-P225 VanDerWaalsContact N-O 3.1Å; I193-P225 WeakPolarHBondContact O-CG 3.09Å; I193-P225 VanDerWaalsContact O-O 3.04Å; I193-F228 HydrophobicContact CB-CE1 4.49Å; I193-F228 HydrophobicContact CG1-CE1 4.18Å; I193-F228 HydrophobicContact CG2-CD1 4.27Å; I193-F228 HydrophobicContact CG2-CE1 3.91Å; I193-F228 WeakPolarHBondContact O-CE1 3.43Å; I193-F253 HydrophobicContact CD1-CB 4.34Å; I193-F253 HydrophobicContact CD1-CD1 4.43Å; I193-F253 HydrophobicContact CG1-CB 4.36Å; I193-F253 HydrophobicContact CG1-CD1 4.44Å; I193-K254 CarbonylContact C-O 3.52Å; I193-K254 WeakPolarHBondContact CA-O 3.21Å; I193-V255 HydrophobicContact CB-CG2 4.3Å; I193-V255 HydrophobicContact CD1-CG2 3.96Å; I193-V255 HydrophobicContact CG1-CG2 3.99Å; I193-L270 HydrophobicContact CB-CD1 4.4Å; I193-L270 HydrophobicContact CD1-CD1 3.85Å; I193-L270 HydrophobicContact CD1-CD2 4.36Å
194	Q	76.8	Confident	78.8	Confident	67 Å²	67	56.2 Å²	56.2	31%	0.313	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.5	-177.5	-177.4	-179.5	17.8	0	0	109.3	L196 F253 K254	Q194-L196 HydrophobicContact CG-CD2 4.47Å; Q194-F253 CarbonylContact O-C 3.29Å; Q194-F253 VanDerWaalsContact O-CA 3.31Å; Q194-F253 WeakPolarHBondContact O-CA 3.29Å; Q194-K254 HydrophobicContact CB-CB 4.39Å; Q194-K254 PolarHBondContact N-O 2.92Å; Q194-K254 PolarHBondContact O-N 3.08Å
195	Y	78.7	Confident	78.8	Confident	49 Å²	49	55.7 Å²	55.7	19%	0.192	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.4	166.3	172.2	-96	0	0	0	109.5	A198 F213 M230 M251 F253	Y195-A198 PolarHBondContact OH-N 2.91Å; Y195-F213 AromaticContact CD1-CE1 3.96Å; Y195-F213 HydrophobicContact CD1-CE1 3.96Å; Y195-F213 HydrophobicContact CD1-CE2 4.24Å; Y195-F213 AromaticContact CD1-CZ 3.33Å; Y195-F213 HydrophobicContact CD1-CZ 3.33Å; Y195-F213 HydrophobicContact CD2-CZ 4.42Å; Y195-F213 AromaticContact CE1-CZ 3.75Å; Y195-F213 HydrophobicContact CE1-CZ 3.75Å; Y195-F213 AromaticContact CG-CE1 3.84Å; Y195-F213 HydrophobicContact CG-CE1 3.84Å; Y195-F213 AromaticContact CG-CZ 3.68Å; Y195-F213 HydrophobicContact CG-CZ 3.68Å; Y195-M230 HydrophobicContact CD2-SD 4.19Å; Y195-M230 HydrophobicContact CE2-SD 4.33Å; Y195-M251 HydrophobicContact CE2-CB 4.14Å; Y195-M251 HydrophobicContact CE2-CG 4.27Å; Y195-M251 HydrophobicContact CE2-SD 3.88Å; Y195-F253 HydrophobicContact CD2-CD1 4.33Å; Y195-F253 AromaticContact CD2-CE1 3.71Å; Y195-F253 HydrophobicContact CD2-CE1 3.71Å; Y195-F253 HydrophobicContact CD2-CZ 4.01Å; Y195-F253 HydrophobicContact CG-CE1 4.37Å
196	L	72.7	Confident	78.8	Confident	55 Å²	55	54.7 Å²	54.7	29%	0.288	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-67.1	175.3	-58.9	-178.3	0	0	0	110.7	F162 Q194 R252 K254	F162-L196 HydrophobicContact CD1-CD1 3.73Å; F162-L196 HydrophobicContact CE1-CD1 3.63Å; Q194-L196 HydrophobicContact CG-CD2 4.47Å; L196-R252 WeakPolarHBondContact CB-O 3.37Å; L196-R252 HydrophobicContact CD1-CG 4.05Å; L196-R252 PolarHBondContact N-O 2.8Å; L196-K254 HydrophobicContact CD1-CB 4.09Å; L196-K254 HydrophobicContact CD2-CB 3.87Å; L196-K254 HydrophobicContact CD2-CD 4.44Å; L196-K254 HydrophobicContact CG-CB 4.02Å
197	F	73.3	Confident	78.3	Confident	94 Å²	94	54.3 Å²	54.3	41%	0.412	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	159.3	-177	50.2	-86.1	0	0	0	111.1	M251 R252	F197-M251 WeakPolarHBondContact O-CA 3.02Å; F197-R252 PolarHBondContact O-N 3.13Å
198	A	77.1	Confident	78	Confident	31 Å²	31	54.2 Å²	54.2	26%	0.256	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.5	160.6	0	0	0	0	0	107.8	Y195 I249 M250 M251	Y195-A198 PolarHBondContact OH-N 2.91Å; A198-I249 HydrophobicContact CB-CG2 4.21Å; A198-M250 CarbonylContact C-O 3.05Å; A198-M250 VanDerWaalsContact CA-O 3.3Å; A198-M250 WeakPolarHBondContact CA-O 3.29Å; A198-M251 HydrophobicContact CB-CG 4.13Å
199	Y	76.4	Confident	77.8	Confident	90 Å²	90	52.2 Å²	52.2	35%	0.353	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-16	-174.3	65	-97.6	0	0	0	113.2	D164 M250 R252	D164-Y199 HydrophobicContact CB-CE1 4.43Å; D164-Y199 PolarHBondContact OD2-OH 3.48Å; Y199-M250 HydrophobicContact CD1-CB 4.29Å; Y199-M250 HydrophobicContact CD2-CB 4.21Å; Y199-M250 HydrophobicContact CE1-CB 3.7Å; Y199-M250 HydrophobicContact CE2-CB 3.59Å; Y199-M250 HydrophobicContact CE2-CG 4.31Å; Y199-M250 HydrophobicContact CE2-SD 3.8Å; Y199-M250 PolarHBondContact N-O 3.1Å; Y199-M250 WeakPolarHBondContact OH-CB 3.43Å; Y199-R252 HydrophobicContact CD1-CB 4.07Å; Y199-R252 HydrophobicContact CE1-CB 4.26Å
200	Y	81.1	Confident	77.2	Confident	77 Å²	77	53.2 Å²	53.2	30%	0.302	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	125.6	175.6	-180	-95.9	0	0	0	109.6	N245 M250	Y200-N245 HydrophobicContact CE1-CB 4.02Å; Y200-N245 WeakPolarHBondContact CE1-O 3.25Å; Y200-M250 HydrophobicContact CD1-CE 3.97Å; Y200-M250 HydrophobicContact CD1-CG 3.97Å; Y200-M250 HydrophobicContact CD1-SD 4.06Å; Y200-M250 HydrophobicContact CE1-CE 4.3Å; Y200-M250 HydrophobicContact CG-CG 4.47Å; Y200-M250 HydrophobicContact CG-SD 4.35Å; Y200-M250 PolarHBondContact N-O 3.16Å; Y200-M250 PolarHBondContact O-N 2.9Å
201	N	83.4	Confident	76.9	Confident	50 Å²	50	53.2 Å²	53.2	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.8	165.6	-73.6	-20.6	0	0	0	106.6	I205 Y209	N201-I205 HydrophobicContact CB-CB 4.41Å; N201-Y209 WeakPolarHBondContact ND2-CE1 3.32Å; N201-Y209 PolarHBondContact ND2-OH 3.09Å; N201-Y209 PolarHBondContact OD1-OH 3.4Å
202	G	84.5	Confident	77	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.3	C	S	.	.			trans	-58.7	153	172.5	0	0	0	0	0	111.4	N204 I205 N245 D246 S248	G202-N204 PolarHBondContact O-N 2.78Å; G202-N204 VanDerWaalsContact O-N 3.09Å; G202-I205 WeakPolarHBondContact O-CB 3.46Å; G202-I205 PolarHBondContact O-N 2.69Å; G202-N245 WeakPolarHBondContact CA-O 3.42Å; G202-D246 CarbonylContact C-O 3.6Å; G202-D246 WeakPolarHBondContact CA-O 3.2Å; G202-S248 PolarHBondContact N-O 3Å
203	T	83.3	Confident	76.9	Confident	107 Å²	107	59.6 Å²	59.6	66%	0.656	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21	-173.9	55.3	0	0	0	0	114.1	D246	T203-D246 PolarHBondContact N-O 3.48Å; T203-D246 WeakPolarHBondContact OG1-CB 3.42Å; T203-D246 PolarHBondContact OG1-OD1 3.35Å
204	N	83.6	Confident	76.6	Confident	14 Å²	14	64 Å²	64	8%	0.075	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.2	175.2	-74.2	-32.8	0	0	0	113.8	G202 V236 S237 A239 A241 D246 F247	G202-N204 PolarHBondContact O-N 2.78Å; G202-N204 VanDerWaalsContact O-N 3.09Å; N204-V236 CarbonylContact O-C 3.5Å; N204-V236 WeakPolarHBondContact O-CA 3.36Å; N204-S237 WeakPolarHBondContact O-CB 3.42Å; N204-S237 PolarHBondContact O-N 2.88Å; N204-A239 PolarHBondContact ND2-O 2.83Å; N204-A241 WeakPolarHBondContact ND2-CB 3.25Å; N204-D246 WeakPolarHBondContact CB-O 3.44Å; N204-D246 PolarHBondContact N-O 3.23Å; N204-F247 HydrophobicContact CB-CD1 3.85Å; N204-F247 HydrophobicContact CB-CE1 3.91Å; N204-F247 WeakPolarHBondContact ND2-CE1 3.29Å; N204-F247 WeakPolarHBondContact ND2-CZ 3.48Å
205	I	80.9	Confident	76	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-82.1	128.6	172.3	-54.9	-61	0	0	0	108.9	N201 G202 N207 Y209 I234 V236 I249	N201-I205 HydrophobicContact CB-CB 4.41Å; G202-I205 WeakPolarHBondContact O-CB 3.46Å; G202-I205 PolarHBondContact O-N 2.69Å; I205-N207 PolarHBondContact O-N 3.06Å; I205-Y209 HydrophobicContact CG2-CD1 3.99Å; I205-Y209 HydrophobicContact CG2-CE1 3.72Å; I205-I234 HydrophobicContact CD1-CG2 4.49Å; I205-I234 HydrophobicContact CG2-CG2 3.96Å; I205-V236 HydrophobicContact CD1-CB 4.33Å; I205-V236 HydrophobicContact CD1-CG1 4.03Å; I205-V236 HydrophobicContact CD1-CG2 3.56Å; I205-I249 HydrophobicContact CB-CG1 4.48Å; I205-I249 HydrophobicContact CD1-CD1 4.47Å; I205-I249 HydrophobicContact CD1-CG1 4.1Å; I205-I249 HydrophobicContact CG1-CG1 3.91Å; I205-I249 HydrophobicContact CG2-CD1 3.89Å; I205-I249 HydrophobicContact CG2-CG1 3.9Å
206	A	77.7	Confident	75.1	Confident	30 Å²	30	68.1 Å²	68.1	25%	0.248	36%	0.361	C	S	.	.			trans	-62.2	124	174.1	0	0	0	0	0	110.3	N208 Y209 C235	A206-N208 PolarHBondContact O-N 3.22Å; A206-Y209 WeakPolarHBondContact O-CD1 3.48Å; A206-C235 HydrophobicContact CB-CB 3.9Å; A206-C235 WeakPolarHBondContact CB-O 3.43Å; A206-C235 PolarHBondContact N-O 3.33Å
207	N	68.2	Low	74.4	Confident	137 Å²	137	68.9 Å²	68.9	73%	0.733	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.8	-174.5	-74.2	-33	0	0	0	115.1	I205	I205-N207 PolarHBondContact O-N 3.06Å
208	N	67.1	Low	73.7	Confident	142 Å²	142	70 Å²	70	76%	0.759	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	24.9	-169.6	65.4	-20.1	0	0	0	114.6	A206	A206-N208 PolarHBondContact O-N 3.22Å
209	Y	72.8	Confident	72.6	Confident	36 Å²	36	72.8 Å²	72.8	14%	0.141	38%	0.38	C	S	.	.			trans	-75	148	173.6	65.3	-97.6	0	0	0	111.9	N201 I205 A206 V211 S232 Q233 I234 I249	N201-Y209 WeakPolarHBondContact ND2-CE1 3.32Å; N201-Y209 PolarHBondContact ND2-OH 3.09Å; N201-Y209 PolarHBondContact OD1-OH 3.4Å; I205-Y209 HydrophobicContact CG2-CD1 3.99Å; I205-Y209 HydrophobicContact CG2-CE1 3.72Å; A206-Y209 WeakPolarHBondContact O-CD1 3.48Å; Y209-V211 HydrophobicContact CD2-CG2 3.86Å; Y209-V211 HydrophobicContact CE2-CG2 3.65Å; Y209-S232 WeakPolarHBondContact CD2-OG 3.32Å; Y209-Q233 WeakPolarHBondContact CB-O 3.45Å; Y209-I234 HydrophobicContact CD1-CG1 4.35Å; Y209-I234 HydrophobicContact CD2-CG1 4.24Å; Y209-I234 HydrophobicContact CG-CG1 4.01Å; Y209-I249 HydrophobicContact CE1-CD1 4Å
210	S	69.5	Low	71.5	Confident	68 Å²	68	71.4 Å²	71.4	48%	0.476	38%	0.379	S	S	.	.			trans	-103.9	135	174	53	0	0	0	0	110.5	S232	S210-S232 WeakPolarHBondContact O-CA 3.1Å; S210-S232 PolarHBondContact O-OG 2.81Å; S210-S232 VanDerWaalsContact O-OG 3.1Å
211	V	70.2	Confident	70.1	Confident	34 Å²	34	76.1 Å²	76.1	21%	0.206	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.2	173.8	-176.1	0	0	0	0	108.1	Y209 F213 M230	Y209-V211 HydrophobicContact CD2-CG2 3.86Å; Y209-V211 HydrophobicContact CE2-CG2 3.65Å; V211-F213 HydrophobicContact CB-CZ 4.47Å; V211-F213 HydrophobicContact CG1-CE1 4.04Å; V211-F213 HydrophobicContact CG1-CE2 3.89Å; V211-F213 HydrophobicContact CG1-CZ 3.5Å; V211-M230 HydrophobicContact CG1-CE 4.02Å; V211-M230 HydrophobicContact CG1-CG 3.34Å; V211-M230 HydrophobicContact CG1-SD 3.49Å; V211-M230 WeakPolarHBondContact CG1-SD 3.29Å
212	N	79.4	Confident	68.6	Low	89 Å²	89	76.8 Å²	76.8	48%	0.476	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.8	178.2	-63.1	-41.5	0	0	0	110.3	M230 T231	N212-M230 CarbonylContact O-C 3.5Å; N212-M230 WeakPolarHBondContact O-CA 3.36Å; N212-T231 PolarHBondContact N-O 3.26Å; N212-T231 PolarHBondContact O-N 3.28Å
213	F	77.8	Confident	67.3	Low	77 Å²	77	81.9 Å²	81.9	34%	0.338	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.7	179.5	-57.6	-84.3	0	0	0	110.6	Y195 V211 F228 T229 M230	Y195-F213 AromaticContact CD1-CE1 3.96Å; Y195-F213 HydrophobicContact CD1-CE1 3.96Å; Y195-F213 HydrophobicContact CD1-CE2 4.24Å; Y195-F213 AromaticContact CD1-CZ 3.33Å; Y195-F213 HydrophobicContact CD1-CZ 3.33Å; Y195-F213 HydrophobicContact CD2-CZ 4.42Å; Y195-F213 AromaticContact CE1-CZ 3.75Å; Y195-F213 HydrophobicContact CE1-CZ 3.75Å; Y195-F213 AromaticContact CG-CE1 3.84Å; Y195-F213 HydrophobicContact CG-CE1 3.84Å; Y195-F213 AromaticContact CG-CZ 3.68Å; Y195-F213 HydrophobicContact CG-CZ 3.68Å; V211-F213 HydrophobicContact CB-CZ 4.47Å; V211-F213 HydrophobicContact CG1-CE1 4.04Å; V211-F213 HydrophobicContact CG1-CE2 3.89Å; V211-F213 HydrophobicContact CG1-CZ 3.5Å; F213-F228 AromaticContact CD1-CD2 3.83Å; F213-F228 HydrophobicContact CD1-CD2 3.83Å; F213-F228 AromaticContact CD1-CE2 3.92Å; F213-F228 HydrophobicContact CD1-CE2 3.92Å; F213-F228 HydrophobicContact CE1-CD2 4.38Å; F213-F228 AromaticContact CE1-CE2 3.99Å; F213-F228 HydrophobicContact CE1-CE2 3.99Å; F213-T229 CarbonylContact C-O 3.58Å; F213-T229 WeakPolarHBondContact CA-O 3.21Å; F213-M230 HydrophobicContact CD1-CB 4.18Å; F213-M230 HydrophobicContact CD1-CG 3.93Å; F213-M230 HydrophobicContact CE1-CB 4.17Å; F213-M230 HydrophobicContact CE1-CG 3.58Å; F213-M230 HydrophobicContact CE1-SD 3.86Å; F213-M230 HydrophobicContact CZ-CG 4.25Å; F213-M230 HydrophobicContact CZ-SD 4.34Å
214	N	74	Confident	66.3	Low	94 Å²	94	77.3 Å²	77.3	50%	0.503	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	164.8	178.1	-73.2	-27.2	0	0	0	110.8	L216 T229	N214-L216 PolarHBondContact O-N 2.78Å; N214-T229 PolarHBondContact N-O 2.99Å; N214-T229 PolarHBondContact O-N 3.15Å
215	N	63.5	Low	65.3	Low	125 Å²	125	77.2 Å²	77.2	67%	0.668	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.1	41.5	175.3	-79.6	-9.3	0	0	0	115.6	T217	N215-T217 PolarHBondContact O-N 2.79Å; N215-T217 PolarHBondContact O-OG1 2.75Å
216	L	59.7	Low	65.1	Low	76 Å²	76	77 Å²	77	40%	0.398	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	99.9	174.1	-69.3	161.9	0	0	0	110.3	N214 Y218 P225 F228	N214-L216 PolarHBondContact O-N 2.78Å; L216-Y218 HydrophobicContact CB-CE2 3.93Å; L216-P225 HydrophobicContact CD2-CB 3.6Å; L216-P225 HydrophobicContact CD2-CG 3.56Å; L216-F228 HydrophobicContact CD2-CB 3.61Å; L216-F228 HydrophobicContact CD2-CG 4.33Å; L216-F228 HydrophobicContact CG-CB 4.34Å
217	T	58.6	Low	65.3	Low	71 Å²	71	76.9 Å²	76.9	44%	0.436	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.2	176.6	-40.9	0	0	0	0	109.3	N215 L219 S226 V227	N215-T217 PolarHBondContact O-N 2.79Å; N215-T217 PolarHBondContact O-OG1 2.75Å; T217-L219 HydrophobicContact CG2-CD1 4.45Å; T217-S226 PolarHBondContact O-N 2.78Å; T217-V227 PolarHBondContact N-O 2.75Å
218	Y	58.1	Low	66	Low	118 Å²	118	70.5 Å²	70.5	46%	0.463	38%	0.382	S	S	.	.			trans	-92.2	105.8	174.8	-59.1	-85.3	0	0	0	108.6	L216 S223 P225	L216-Y218 HydrophobicContact CB-CE2 3.93Å; Y218-S223 WeakPolarHBondContact CE1-O 3.06Å; Y218-P225 HydrophobicContact CE1-CB 4.41Å
219	L	54.8	Low	66.8	Low	89 Å²	89	64.7 Å²	64.7	47%	0.466	35%	0.352	S	S	.	.	S	Bend	trans	-86	-27.6	-179.8	-87.6	126.6	0	0	0	113.6	Y189 T217	Y189-L219 HydrophobicContact CD2-CD1 3.3Å; Y189-L219 HydrophobicContact CD2-CD2 4.32Å; Y189-L219 HydrophobicContact CD2-CG 4.39Å; Y189-L219 HydrophobicContact CE2-CD1 3.71Å; Y189-L219 HydrophobicContact CG-CD1 3.82Å; T217-L219 HydrophobicContact CG2-CD1 4.45Å
220	N	53.6	Low	67.3	Low	61 Å²	61	63 Å²	63	33%	0.326	35%	0.345	S	S	.	.	S	Bend	trans	-129.9	134.4	176.1	-66.9	-35.9	0	0	0	106.4	N222 F258	N220-N222 PolarHBondContact O-N 2.84Å; N220-N222 VanDerWaalsContact O-O 3.05Å; N220-F258 HydrophobicContact CB-CD1 4.07Å; N220-F258 HydrophobicContact CB-CD2 4.45Å; N220-F258 HydrophobicContact CB-CE1 4.1Å; N220-F258 HydrophobicContact CB-CE2 4.47Å; N220-F258 HydrophobicContact CB-CG 4.25Å; N220-F258 HydrophobicContact CB-CZ 4.3Å; N220-F258 WeakPolarHBondContact ND2-CD2 3.49Å; N220-F258 WeakPolarHBondContact ND2-CE2 3.48Å; N220-F258 VanDerWaalsContact ND2-CG 3.33Å; N220-F258 WeakPolarHBondContact ND2-CG 3.08Å
221	N	51.7	Low	67.9	Low	177 Å²	177	61.4 Å²	61.4	95%	0.947	33%	0.333	S	S	*	.	S	Bend	trans	-56.8	12.4	-174.8	-87.6	-15.7	0	0	0	116.7
222	N	52.3	Low	68.5	Low	64 Å²	64	60 Å²	60	34%	0.342	32%	0.324	S	S	.	.	S	Bend	trans	-73.2	124.1	161.3	-65.3	-22.6	0	0	0	107.7	N220 S224 F258 S259	N220-N222 PolarHBondContact O-N 2.84Å; N220-N222 VanDerWaalsContact O-O 3.05Å; N222-S224 PolarHBondContact O-N 2.76Å; N222-F258 HydrophobicContact CB-CD1 4.33Å; N222-F258 HydrophobicContact CB-CE1 4.39Å; N222-S259 PolarHBondContact ND2-OG 3.09Å; N222-S259 VanDerWaalsContact ND2-OG 3.12Å
223	S	56.4	Low	68.5	Low	107 Å²	107	61.2 Å²	61.2	75%	0.748	33%	0.327	S	S	*	.	S	Bend	trans	-58.2	11.8	-169.7	48.7	0	0	0	0	117.5	Y218	Y218-S223 WeakPolarHBondContact CE1-O 3.06Å
224	S	62	Low	68.6	Low	11 Å²	11	57.6 Å²	57.6	8%	0.077	31%	0.311	C	S	.	.	S	Bend	trans	-108.9	132.1	179	-62.1	0	0	0	0	110.9	N222	N222-S224 PolarHBondContact O-N 2.76Å
225	P	64	Low	68.8	Low	11 Å²	11	55.8 Å²	55.8	7%	0.071	31%	0.305	C	S	.	.			trans	-68.6	145.6	-177.7	29.1	-34.8	0	0	0	111.7	I193 L216 Y218 F228	I193-P225 PolarHBondContact N-O 3.44Å; I193-P225 VanDerWaalsContact N-O 3.1Å; I193-P225 WeakPolarHBondContact O-CG 3.09Å; I193-P225 VanDerWaalsContact O-O 3.04Å; L216-P225 HydrophobicContact CD2-CB 3.6Å; L216-P225 HydrophobicContact CD2-CG 3.56Å; Y218-P225 HydrophobicContact CE1-CB 4.41Å; P225-F228 HydrophobicContact CB-CB 4.49Å; P225-F228 HydrophobicContact CB-CD1 4.35Å; P225-F228 HydrophobicContact CG-CD1 3.79Å; P225-F228 HydrophobicContact CG-CE1 4.45Å; P225-F228 HydrophobicContact CG-CG 4.48Å
226	S	76.7	Confident	69.6	Low	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-84.8	-28.7	169	-45	0	0	0	0	111.2	S181 G182 T217 F258	S181-S226 CarbonylContact C-O 3.57Å; S181-S226 WeakPolarHBondContact CA-O 3.5Å; G182-S226 PolarHBondContact N-O 2.96Å; T217-S226 PolarHBondContact O-N 2.78Å; S226-F258 VanDerWaalsContact OG-CZ 3.28Å; S226-F258 WeakPolarHBondContact OG-CZ 3.41Å
227	V	82	Confident	70.4	Confident	28 Å²	28	48.9 Å²	48.9	17%	0.17	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	137.7	178.2	-176.3	0	0	0	0	108.9	F180 Y189 T217	F180-V227 VanDerWaalsContact O-CA 3.26Å; F180-V227 WeakPolarHBondContact O-CA 3.4Å; F180-V227 WeakPolarHBondContact O-CG1 3.37Å; Y189-V227 HydrophobicContact CE1-CG2 3.53Å; Y189-V227 HydrophobicContact CE2-CG2 4.23Å; Y189-V227 WeakPolarHBondContact OH-CG2 3.13Å; T217-V227 PolarHBondContact N-O 2.75Å
228	F	81.8	Confident	71.1	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.5	169.1	69.4	-91.6	0	0	0	111.7	F180 I193 F213 L216 P225 M230 F253	F180-F228 HydrophobicContact CB-CD1 4.06Å; F180-F228 HydrophobicContact CB-CD2 4.49Å; F180-F228 HydrophobicContact CB-CE1 3.74Å; F180-F228 HydrophobicContact CB-CE2 4.19Å; F180-F228 HydrophobicContact CB-CG 4.43Å; F180-F228 HydrophobicContact CB-CZ 3.8Å; F180-F228 AromaticContact CD2-CD2 3.96Å; F180-F228 HydrophobicContact CD2-CD2 3.96Å; F180-F228 HydrophobicContact CD2-CE1 4.33Å; F180-F228 AromaticContact CD2-CE2 3.31Å; F180-F228 HydrophobicContact CD2-CE2 3.31Å; F180-F228 AromaticContact CD2-CZ 3.53Å; F180-F228 HydrophobicContact CD2-CZ 3.53Å; F180-F228 AromaticContact CE2-CE2 3.91Å; F180-F228 HydrophobicContact CE2-CE2 3.91Å; F180-F228 HydrophobicContact CE2-CZ 4.22Å; F180-F228 HydrophobicContact CG-CE1 4.16Å; F180-F228 AromaticContact CG-CE2 3.96Å; F180-F228 HydrophobicContact CG-CE2 3.96Å; F180-F228 AromaticContact CG-CZ 3.69Å; F180-F228 HydrophobicContact CG-CZ 3.69Å; F180-F228 PolarHBondContact N-O 3.47Å; F180-F228 PolarHBondContact O-N 3.47Å; I193-F228 HydrophobicContact CB-CE1 4.49Å; I193-F228 HydrophobicContact CG1-CE1 4.18Å; I193-F228 HydrophobicContact CG2-CD1 4.27Å; I193-F228 HydrophobicContact CG2-CE1 3.91Å; I193-F228 WeakPolarHBondContact O-CE1 3.43Å; F213-F228 AromaticContact CD1-CD2 3.83Å; F213-F228 HydrophobicContact CD1-CD2 3.83Å; F213-F228 AromaticContact CD1-CE2 3.92Å; F213-F228 HydrophobicContact CD1-CE2 3.92Å; F213-F228 HydrophobicContact CE1-CD2 4.38Å; F213-F228 AromaticContact CE1-CE2 3.99Å; F213-F228 HydrophobicContact CE1-CE2 3.99Å; L216-F228 HydrophobicContact CD2-CB 3.61Å; L216-F228 HydrophobicContact CD2-CG 4.33Å; L216-F228 HydrophobicContact CG-CB 4.34Å; P225-F228 HydrophobicContact CB-CB 4.49Å; P225-F228 HydrophobicContact CB-CD1 4.35Å; P225-F228 HydrophobicContact CG-CD1 3.79Å; P225-F228 HydrophobicContact CG-CE1 4.45Å; P225-F228 HydrophobicContact CG-CG 4.48Å; F228-M230 HydrophobicContact CD2-CB 4.45Å; F228-M230 HydrophobicContact CE2-CB 4.23Å; F228-F253 HydrophobicContact CZ-CD1 4.28Å; F228-F253 HydrophobicContact CZ-CE1 4.15Å
229	T	84.4	Confident	71.7	Confident	21 Å²	21	45 Å²	45	13%	0.129	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.7	172.8	-59.4	0	0	0	0	108.8	I177 M178 N179 F213 N214 T231	I177-T229 HydrophobicContact CG2-CG2 3.91Å; M178-T229 CarbonylContact O-C 3.53Å; M178-T229 WeakPolarHBondContact O-CA 3.47Å; N179-T229 VanDerWaalsContact OD1-CB 3.29Å; N179-T229 WeakPolarHBondContact OD1-CB 3.43Å; N179-T229 WeakPolarHBondContact OD1-CG2 3.42Å; N179-T229 PolarHBondContact OD1-OG1 3.06Å; F213-T229 CarbonylContact C-O 3.58Å; F213-T229 WeakPolarHBondContact CA-O 3.21Å; N214-T229 PolarHBondContact N-O 2.99Å; N214-T229 PolarHBondContact O-N 3.15Å; T229-T231 HydrophobicContact CG2-CG2 4.13Å
230	M	82.8	Confident	72.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.8	174.6	-167.4	-175	95.9	0	0	109.2	L176 I177 M178 F180 Y195 V211 N212 F213 F228 M251	L176-M230 HydrophobicContact CD2-CE 4.43Å; I177-M230 CarbonylContact C-O 3.54Å; I177-M230 WeakPolarHBondContact CA-O 3.16Å; M178-M230 HydrophobicContact CB-CB 4.48Å; M178-M230 HydrophobicContact CE-CE 3.09Å; M178-M230 HydrophobicContact CE-SD 4.1Å; M178-M230 PolarHBondContact N-O 3.13Å; M178-M230 PolarHBondContact O-N 3.17Å; F180-M230 HydrophobicContact CD2-CB 4.49Å; F180-M230 HydrophobicContact CE2-CB 4.05Å; F180-M230 HydrophobicContact CE2-SD 4.49Å; Y195-M230 HydrophobicContact CD2-SD 4.19Å; Y195-M230 HydrophobicContact CE2-SD 4.33Å; V211-M230 HydrophobicContact CG1-CE 4.02Å; V211-M230 HydrophobicContact CG1-CG 3.34Å; V211-M230 HydrophobicContact CG1-SD 3.49Å; V211-M230 WeakPolarHBondContact CG1-SD 3.29Å; N212-M230 CarbonylContact O-C 3.5Å; N212-M230 WeakPolarHBondContact O-CA 3.36Å; F213-M230 HydrophobicContact CD1-CB 4.18Å; F213-M230 HydrophobicContact CD1-CG 3.93Å; F213-M230 HydrophobicContact CE1-CB 4.17Å; F213-M230 HydrophobicContact CE1-CG 3.58Å; F213-M230 HydrophobicContact CE1-SD 3.86Å; F213-M230 HydrophobicContact CZ-CG 4.25Å; F213-M230 HydrophobicContact CZ-SD 4.34Å; F228-M230 HydrophobicContact CD2-CB 4.45Å; F228-M230 HydrophobicContact CE2-CB 4.23Å; M230-M251 HydrophobicContact CE-CE 3.83Å; M230-M251 HydrophobicContact CE-SD 3.72Å; M230-M251 HydrophobicContact SD-SD 4.27Å
231	T	82.9	Confident	73	Confident	35 Å²	35	42.2 Å²	42.2	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.3	176.4	59.3	0	0	0	0	110.5	L176 I177 N212 T229	L176-T231 CarbonylContact O-C 3.6Å; L176-T231 VanDerWaalsContact O-CA 3.24Å; L176-T231 WeakPolarHBondContact O-CA 3.45Å; I177-T231 HydrophobicContact CB-CG2 4.49Å; I177-T231 HydrophobicContact CG1-CG2 4.1Å; I177-T231 HydrophobicContact CG2-CG2 4.23Å; N212-T231 PolarHBondContact N-O 3.26Å; N212-T231 PolarHBondContact O-N 3.28Å; T229-T231 HydrophobicContact CG2-CG2 4.13Å
232	S	81.3	Confident	74	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.2	177.5	-173.7	0	0	0	0	111.2	L176 Y209 S210 I234	L176-S232 PolarHBondContact N-O 3.05Å; L176-S232 PolarHBondContact O-N 2.86Å; Y209-S232 WeakPolarHBondContact CD2-OG 3.32Å; S210-S232 WeakPolarHBondContact O-CA 3.1Å; S210-S232 PolarHBondContact O-OG 2.81Å; S210-S232 VanDerWaalsContact O-OG 3.1Å; S232-I234 WeakPolarHBondContact OG-CG1 3.25Å
233	Q	80.8	Confident	75.1	Confident	115 Å²	115	39.3 Å²	39.3	54%	0.537	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.5	170.9	-65.7	-66.3	-22.6	0	0	108.1	H174 S175 Y209	H174-Q233 WeakPolarHBondContact O-CA 3.11Å; S175-Q233 VanDerWaalsContact CB-NE2 3.26Å; S175-Q233 PolarHBondContact OG-NE2 2.81Å; S175-Q233 PolarHBondContact OG-OE1 2.78Å; Y209-Q233 WeakPolarHBondContact CB-O 3.45Å
234	I	80.4	Confident	76	Confident	2 Å²	2	37 Å²	37	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.5	-171.7	-61.8	154.3	0	0	0	108.6	L169 H174 L176 I205 Y209 S232 V236 I249	L169-I234 HydrophobicContact CD1-CB 4.15Å; L169-I234 HydrophobicContact CD1-CD1 3.94Å; L169-I234 HydrophobicContact CD1-CG2 3.74Å; H174-I234 PolarHBondContact N-O 2.8Å; H174-I234 PolarHBondContact O-N 2.78Å; L176-I234 HydrophobicContact CB-CD1 4.31Å; L176-I234 HydrophobicContact CD2-CD1 4.29Å; I205-I234 HydrophobicContact CD1-CG2 4.49Å; I205-I234 HydrophobicContact CG2-CG2 3.96Å; Y209-I234 HydrophobicContact CD1-CG1 4.35Å; Y209-I234 HydrophobicContact CD2-CG1 4.24Å; Y209-I234 HydrophobicContact CG-CG1 4.01Å; S232-I234 WeakPolarHBondContact OG-CG1 3.25Å; I234-V236 HydrophobicContact CG2-CG2 3.95Å; I234-I249 HydrophobicContact CD1-CD1 3.53Å; I234-I249 HydrophobicContact CG1-CD1 4Å; I234-I249 HydrophobicContact CG2-CD1 3.82Å
235	C	76.7	Confident	77	Confident	55 Å²	55	39 Å²	39	37%	0.372	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.7	170.5	-177.2	0	0	0	0	109.3	G172 N173 A206	G172-C235 WeakPolarHBondContact O-CA 3.42Å; N173-C235 VanDerWaalsContact OD1-CB 3.23Å; N173-C235 WeakPolarHBondContact OD1-CB 3.28Å; N173-C235 PolarHBondContact OD1-SG 2.77Å; A206-C235 HydrophobicContact CB-CB 3.9Å; A206-C235 WeakPolarHBondContact CB-O 3.43Å; A206-C235 PolarHBondContact N-O 3.33Å
236	V	80.9	Confident	77.9	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.024	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.9	-179.7	-174.9	0	0	0	0	109.1	L169 P170 P171 G172 N204 I205 I234 F247	L169-V236 HydrophobicContact CB-CG2 3.82Å; L169-V236 HydrophobicContact CD1-CG2 4.15Å; P170-V236 WeakPolarHBondContact O-CB 3.11Å; P171-V236 WeakPolarHBondContact CA-O 3.4Å; G172-V236 PolarHBondContact N-O 2.81Å; G172-V236 PolarHBondContact O-N 2.74Å; N204-V236 CarbonylContact O-C 3.5Å; N204-V236 WeakPolarHBondContact O-CA 3.36Å; I205-V236 HydrophobicContact CD1-CB 4.33Å; I205-V236 HydrophobicContact CD1-CG1 4.03Å; I205-V236 HydrophobicContact CD1-CG2 3.56Å; I234-V236 HydrophobicContact CG2-CG2 3.95Å; V236-F247 HydrophobicContact CG1-CD1 3.91Å
237	S	77	Confident	78.3	Confident	53 Å²	53	39.3 Å²	39.3	37%	0.371	24%	0.239	S	C	.	.			trans	-68	143.8	177.9	177.6	0	0	0	0	111.3	N204 A239 F247	N204-S237 WeakPolarHBondContact O-CB 3.42Å; N204-S237 PolarHBondContact O-N 2.88Å; S237-A239 PolarHBondContact O-N 2.81Å; S237-A239 WeakPolarHBondContact OG-CB 3.34Å; S237-A239 PolarHBondContact OG-N 2.85Å; S237-A239 VanDerWaalsContact OG-N 3.09Å; S237-F247 WeakPolarHBondContact O-CE1 3.44Å
238	S	71.8	Confident	78.5	Confident	70 Å²	70	38 Å²	38	49%	0.49	23%	0.23	S	C	.	.			trans	-86.4	8.4	172.1	63.8	0	0	0	0	113
239	A	71.9	Confident	78.7	Confident	37 Å²	37	37.9 Å²	37.9	31%	0.306	23%	0.23	S	C	.	.			trans	-62.8	138.2	-179.7	0	0	0	0	0	110.5	N204 S237 A241	N204-A239 PolarHBondContact ND2-O 2.83Å; S237-A239 PolarHBondContact O-N 2.81Å; S237-A239 WeakPolarHBondContact OG-CB 3.34Å; S237-A239 PolarHBondContact OG-N 2.85Å; S237-A239 VanDerWaalsContact OG-N 3.09Å; A239-A241 PolarHBondContact O-N 2.92Å
240	P	68.1	Low	78.8	Confident	86 Å²	86	38.2 Å²	38.2	56%	0.558	23%	0.23	S	C	*	.			trans	-56.4	140.4	174.2	-20.6	30.9	0	0	0	110.6	F133	F133-P240 HydrophobicContact CB-CB 4.15Å; F133-P240 HydrophobicContact CD1-CB 3.41Å; F133-P240 VanDerWaalsContact CD1-CB 3.41Å; F133-P240 HydrophobicContact CD1-CG 4.45Å; F133-P240 HydrophobicContact CE1-CB 4.05Å; F133-P240 HydrophobicContact CG-CB 4.01Å
241	A	67.6	Low	78.8	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.041	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-125.2	160	-178.7	0	0	0	0	0	111.5	I134 N204 A239 D246 F247	I134-A241 PolarHBondContact N-O 2.93Å; N204-A241 WeakPolarHBondContact ND2-CB 3.25Å; A239-A241 PolarHBondContact O-N 2.92Å; A241-D246 HydrophobicContact CB-CB 3.47Å; A241-D246 VanDerWaalsContact CB-CB 3.47Å; A241-D246 VanDerWaalsContact CB-OD2 3.25Å; A241-D246 WeakPolarHBondContact CB-OD2 3.08Å; A241-F247 HydrophobicContact CB-CD2 4.32Å; A241-F247 HydrophobicContact CB-CE2 3.46Å; A241-F247 VanDerWaalsContact CB-CE2 3.46Å; A241-F247 HydrophobicContact CB-CZ 3.77Å
242	N	71.8	Confident	78.7	Confident	112 Å²	112	39.7 Å²	39.7	60%	0.599	23%	0.232	S	C	*	.	S	Bend	trans	-94.3	-18.7	178.9	-68.8	-31.6	0	0	0	111.8	I134 D246	I134-N242 VanDerWaalsContact CD1-O 3.25Å; I134-N242 WeakPolarHBondContact CD1-O 3.29Å; N242-D246 PolarHBondContact N-OD2 2.98Å
243	D	76.1	Confident	78.7	Confident	68 Å²	68	39.6 Å²	39.6	36%	0.364	23%	0.231	S	C	.	.	S	Bend	trans	-129.4	138.9	175.5	-166.1	-24.8	0	0	0	110.4	N245 D246	D243-N245 PolarHBondContact O-N 2.76Å; D243-N245 PolarHBondContact OD1-N 3.21Å; D243-N245 PolarHBondContact OD1-ND2 2.82Å; D243-N245 PolarHBondContact OD2-ND2 3.23Å; D243-D246 PolarHBondContact N-OD2 3.19Å; D243-D246 VanDerWaalsContact N-OD2 3.11Å; D243-D246 WeakPolarHBondContact O-CB 3.2Å; D243-D246 PolarHBondContact O-N 3.33Å
244	S	75.1	Confident	78.4	Confident	60 Å²	60	36.8 Å²	36.8	42%	0.42	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-57.6	-26.8	169.8	62	0	0	0	0	113	D246 F247	S244-D246 PolarHBondContact O-N 3.33Å; S244-F247 PolarHBondContact O-N 3.46Å
245	N	82.2	Confident	78.3	Confident	51 Å²	51	36.7 Å²	36.7	27%	0.273	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-65.3	-20.7	175	-66.4	-41.2	0	0	0	112.4	Y200 G202 D243 F247 S248 M250	Y200-N245 HydrophobicContact CE1-CB 4.02Å; Y200-N245 WeakPolarHBondContact CE1-O 3.25Å; G202-N245 WeakPolarHBondContact CA-O 3.42Å; D243-N245 PolarHBondContact O-N 2.76Å; D243-N245 PolarHBondContact OD1-N 3.21Å; D243-N245 PolarHBondContact OD1-ND2 2.82Å; D243-N245 PolarHBondContact OD2-ND2 3.23Å; N245-F247 PolarHBondContact O-N 3.39Å; N245-S248 WeakPolarHBondContact CA-OG 3.29Å; N245-S248 WeakPolarHBondContact O-CB 3.47Å; N245-S248 PolarHBondContact O-N 3.15Å; N245-S248 PolarHBondContact O-OG 3.22Å; N245-M250 HydrophobicContact CB-CE 4.28Å
246	D	84.2	Confident	78.1	Confident	19 Å²	19	34 Å²	34	10%	0.102	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.6	-18.2	176	-71.4	-42.9	0	0	0	112.8	G202 T203 N204 A241 N242 D243 S244	G202-D246 CarbonylContact C-O 3.6Å; G202-D246 WeakPolarHBondContact CA-O 3.2Å; T203-D246 PolarHBondContact N-O 3.48Å; T203-D246 WeakPolarHBondContact OG1-CB 3.42Å; T203-D246 PolarHBondContact OG1-OD1 3.35Å; N204-D246 WeakPolarHBondContact CB-O 3.44Å; N204-D246 PolarHBondContact N-O 3.23Å; A241-D246 HydrophobicContact CB-CB 3.47Å; A241-D246 VanDerWaalsContact CB-CB 3.47Å; A241-D246 VanDerWaalsContact CB-OD2 3.25Å; A241-D246 WeakPolarHBondContact CB-OD2 3.08Å; N242-D246 PolarHBondContact N-OD2 2.98Å; D243-D246 PolarHBondContact N-OD2 3.19Å; D243-D246 VanDerWaalsContact N-OD2 3.11Å; D243-D246 WeakPolarHBondContact O-CB 3.2Å; D243-D246 PolarHBondContact O-N 3.33Å; S244-D246 PolarHBondContact O-N 3.33Å
247	F	84.8	Confident	77.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-104.6	13.4	175.5	-55.6	-85.6	0	0	0	113.4	P136 P137 V168 L169 P171 N204 V236 S237 A241 S244 N245	P136-F247 HydrophobicContact CB-CD1 4.34Å; P136-F247 HydrophobicContact CB-CE1 3.64Å; P136-F247 HydrophobicContact CB-CE2 4.36Å; P136-F247 HydrophobicContact CB-CZ 3.65Å; P136-F247 HydrophobicContact CG-CE1 4Å; P136-F247 HydrophobicContact CG-CZ 3.76Å; P137-F247 HydrophobicContact CG-CB 3.52Å; P137-F247 HydrophobicContact CG-CD1 4.34Å; P137-F247 HydrophobicContact CG-CD2 4.16Å; P137-F247 HydrophobicContact CG-CG 3.78Å; V168-F247 HydrophobicContact CG1-CB 4.49Å; L169-F247 PolarHBondContact N-O 2.84Å; P171-F247 HydrophobicContact CG-CE1 4.26Å; N204-F247 HydrophobicContact CB-CD1 3.85Å; N204-F247 HydrophobicContact CB-CE1 3.91Å; N204-F247 WeakPolarHBondContact ND2-CE1 3.29Å; N204-F247 WeakPolarHBondContact ND2-CZ 3.48Å; V236-F247 HydrophobicContact CG1-CD1 3.91Å; S237-F247 WeakPolarHBondContact O-CE1 3.44Å; A241-F247 HydrophobicContact CB-CD2 4.32Å; A241-F247 HydrophobicContact CB-CE2 3.46Å; A241-F247 VanDerWaalsContact CB-CE2 3.46Å; A241-F247 HydrophobicContact CB-CZ 3.77Å; S244-F247 PolarHBondContact O-N 3.46Å; N245-F247 PolarHBondContact O-N 3.39Å
248	S	86.5	Confident	77.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.3	-173.7	76.2	0	0	0	0	112.7	I167 G202 N245	I167-S248 CarbonylContact O-C 3.57Å; I167-S248 VanDerWaalsContact O-CA 3.23Å; I167-S248 WeakPolarHBondContact O-CA 3.36Å; G202-S248 PolarHBondContact N-O 3Å; N245-S248 WeakPolarHBondContact CA-OG 3.29Å; N245-S248 WeakPolarHBondContact O-CB 3.47Å; N245-S248 PolarHBondContact O-N 3.15Å; N245-S248 PolarHBondContact O-OG 3.22Å
249	I	85.9	Confident	76.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.9	163.6	-60.2	168.8	0	0	0	107.2	I167 L169 A198 I205 Y209 I234 M251	I167-I249 PolarHBondContact N-O 3.15Å; I167-I249 PolarHBondContact O-N 3.5Å; L169-I249 HydrophobicContact CD1-CD1 4.22Å; A198-I249 HydrophobicContact CB-CG2 4.21Å; I205-I249 HydrophobicContact CB-CG1 4.48Å; I205-I249 HydrophobicContact CD1-CD1 4.47Å; I205-I249 HydrophobicContact CD1-CG1 4.1Å; I205-I249 HydrophobicContact CG1-CG1 3.91Å; I205-I249 HydrophobicContact CG2-CD1 3.89Å; I205-I249 HydrophobicContact CG2-CG1 3.9Å; Y209-I249 HydrophobicContact CE1-CD1 4Å; I234-I249 HydrophobicContact CD1-CD1 3.53Å; I234-I249 HydrophobicContact CG1-CD1 4Å; I234-I249 HydrophobicContact CG2-CD1 3.82Å; I249-M251 HydrophobicContact CB-CE 4.43Å; I249-M251 HydrophobicContact CG2-CE 3.48Å; I249-M251 VanDerWaalsContact CG2-CE 3.48Å; I249-M251 HydrophobicContact CG2-CG 3.88Å
250	M	85.1	Confident	76.1	Confident	27 Å²	27	34 Å²	34	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.2	174.3	-49.1	-175.5	-178	0	0	110.3	S165 V166 A198 Y199 Y200 N245	S165-M250 CarbonylContact O-C 3.55Å; S165-M250 VanDerWaalsContact O-CA 3.25Å; S165-M250 WeakPolarHBondContact O-CA 3.18Å; V166-M250 HydrophobicContact CG1-CE 4.2Å; V166-M250 HydrophobicContact CG1-CG 4.26Å; V166-M250 HydrophobicContact CG2-CE 4.41Å; V166-M250 HydrophobicContact CG2-CG 4.09Å; V166-M250 HydrophobicContact CG2-SD 4.27Å; A198-M250 CarbonylContact C-O 3.05Å; A198-M250 VanDerWaalsContact CA-O 3.3Å; A198-M250 WeakPolarHBondContact CA-O 3.29Å; Y199-M250 HydrophobicContact CD1-CB 4.29Å; Y199-M250 HydrophobicContact CD2-CB 4.21Å; Y199-M250 HydrophobicContact CE1-CB 3.7Å; Y199-M250 HydrophobicContact CE2-CB 3.59Å; Y199-M250 HydrophobicContact CE2-CG 4.31Å; Y199-M250 HydrophobicContact CE2-SD 3.8Å; Y199-M250 PolarHBondContact N-O 3.1Å; Y199-M250 WeakPolarHBondContact OH-CB 3.43Å; Y200-M250 HydrophobicContact CD1-CE 3.97Å; Y200-M250 HydrophobicContact CD1-CG 3.97Å; Y200-M250 HydrophobicContact CD1-SD 4.06Å; Y200-M250 HydrophobicContact CE1-CE 4.3Å; Y200-M250 HydrophobicContact CG-CG 4.47Å; Y200-M250 HydrophobicContact CG-SD 4.35Å; Y200-M250 PolarHBondContact N-O 3.16Å; Y200-M250 PolarHBondContact O-N 2.9Å; N245-M250 HydrophobicContact CB-CE 4.28Å
251	M	83.6	Confident	75.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.5	-178.2	-51.3	-177.6	178.1	0	0	110.2	D164 S165 I167 M178 Y195 F197 A198 M230 I249 F253	D164-M251 CarbonylContact C-O 3.28Å; D164-M251 WeakPolarHBondContact CA-O 3.46Å; S165-M251 PolarHBondContact N-O 2.91Å; S165-M251 PolarHBondContact O-N 2.87Å; S165-M251 WeakPolarHBondContact OG-CB 3.18Å; I167-M251 HydrophobicContact CD1-CE 4.28Å; I167-M251 HydrophobicContact CD1-SD 4.27Å; M178-M251 HydrophobicContact CE-SD 4.12Å; Y195-M251 HydrophobicContact CE2-CB 4.14Å; Y195-M251 HydrophobicContact CE2-CG 4.27Å; Y195-M251 HydrophobicContact CE2-SD 3.88Å; F197-M251 WeakPolarHBondContact O-CA 3.02Å; A198-M251 HydrophobicContact CB-CG 4.13Å; M230-M251 HydrophobicContact CE-CE 3.83Å; M230-M251 HydrophobicContact CE-SD 3.72Å; M230-M251 HydrophobicContact SD-SD 4.27Å; I249-M251 HydrophobicContact CB-CE 4.43Å; I249-M251 HydrophobicContact CG2-CE 3.48Å; I249-M251 VanDerWaalsContact CG2-CE 3.48Å; I249-M251 HydrophobicContact CG2-CG 3.88Å; M251-F253 HydrophobicContact CB-CE2 3.84Å; M251-F253 HydrophobicContact CB-CZ 4.17Å; M251-F253 HydrophobicContact SD-CZ 4.4Å
252	R	80.6	Confident	75.5	Confident	67 Å²	67	35.5 Å²	35.5	25%	0.253	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.1	176.1	-173.4	164.5	-74.5	175.3	-0.9	110.9	F162 D164 L196 F197 Y199	F162-R252 HydrophobicContact CB-CG 4.14Å; F162-R252 HydrophobicContact CD1-CG 4.15Å; D164-R252 WeakPolarHBondContact OD1-CB 2.98Å; D164-R252 WeakPolarHBondContact OD1-CG 3.12Å; D164-R252 IonicContact OD1-CZ 2.69Å; D164-R252 IonicContact OD1-NE 3.68Å; D164-R252 PolarHBondContact OD1-NE 2.97Å; D164-R252 IonicContact OD1-NH2 3.45Å; D164-R252 PolarHBondContact OD1-NH2 2.87Å; D164-R252 IonicContact OD2-CZ 3.5Å; D164-R252 IonicContact OD2-NE 3.76Å; D164-R252 IonicContact OD2-NH2 2.92Å; D164-R252 PolarHBondContact OD2-NH2 2.86Å; L196-R252 WeakPolarHBondContact CB-O 3.37Å; L196-R252 HydrophobicContact CD1-CG 4.05Å; L196-R252 PolarHBondContact N-O 2.8Å; F197-R252 PolarHBondContact O-N 3.13Å; Y199-R252 HydrophobicContact CD1-CB 4.07Å; Y199-R252 HydrophobicContact CE1-CB 4.26Å
253	F	82.3	Confident	75.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.6	174.3	-58.5	-92.4	0	0	0	109.5	F162 I163 F180 I193 Q194 Y195 F228 M251	F162-F253 CarbonylContact C-O 3.12Å; F162-F253 VanDerWaalsContact CA-O 3.23Å; F162-F253 WeakPolarHBondContact CA-O 3.22Å; I163-F253 HydrophobicContact CB-CB 4.46Å; I163-F253 PolarHBondContact N-O 2.89Å; I163-F253 PolarHBondContact O-N 3.16Å; F180-F253 HydrophobicContact CD1-CD1 4.33Å; F180-F253 HydrophobicContact CD1-CE1 4.11Å; F180-F253 HydrophobicContact CD2-CE1 4.4Å; F180-F253 HydrophobicContact CE1-CD1 4.02Å; F180-F253 HydrophobicContact CE1-CD2 4.49Å; F180-F253 AromaticContact CE1-CE1 3.5Å; F180-F253 HydrophobicContact CE1-CE1 3.5Å; F180-F253 HydrophobicContact CE1-CE2 4.05Å; F180-F253 HydrophobicContact CE1-CG 4.5Å; F180-F253 AromaticContact CE1-CZ 3.54Å; F180-F253 HydrophobicContact CE1-CZ 3.54Å; F180-F253 AromaticContact CE2-CE1 3.83Å; F180-F253 HydrophobicContact CE2-CE1 3.83Å; F180-F253 HydrophobicContact CE2-CZ 4.05Å; F180-F253 HydrophobicContact CZ-CD1 4.31Å; F180-F253 AromaticContact CZ-CE1 3.35Å; F180-F253 HydrophobicContact CZ-CE1 3.35Å; F180-F253 HydrophobicContact CZ-CE2 4.09Å; F180-F253 AromaticContact CZ-CZ 3.24Å; F180-F253 HydrophobicContact CZ-CZ 3.24Å; I193-F253 HydrophobicContact CD1-CB 4.34Å; I193-F253 HydrophobicContact CD1-CD1 4.43Å; I193-F253 HydrophobicContact CG1-CB 4.36Å; I193-F253 HydrophobicContact CG1-CD1 4.44Å; Q194-F253 CarbonylContact O-C 3.29Å; Q194-F253 VanDerWaalsContact O-CA 3.31Å; Q194-F253 WeakPolarHBondContact O-CA 3.29Å; Y195-F253 HydrophobicContact CD2-CD1 4.33Å; Y195-F253 AromaticContact CD2-CE1 3.71Å; Y195-F253 HydrophobicContact CD2-CE1 3.71Å; Y195-F253 HydrophobicContact CD2-CZ 4.01Å; Y195-F253 HydrophobicContact CG-CE1 4.37Å; F228-F253 HydrophobicContact CZ-CD1 4.28Å; F228-F253 HydrophobicContact CZ-CE1 4.15Å; M251-F253 HydrophobicContact CB-CE2 3.84Å; M251-F253 HydrophobicContact CB-CZ 4.17Å; M251-F253 HydrophobicContact SD-CZ 4.4Å
254	K	74.1	Confident	74.5	Confident	56 Å²	56	35 Å²	35	24%	0.243	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.4	169.6	-179.4	179.4	178.9	-180	0	108.3	T160 F162 Y192 I193 Q194 L196	T160-K254 HydrophobicContact CG2-CD 4.39Å; T160-K254 HydrophobicContact CG2-CG 4.27Å; F162-K254 HydrophobicContact CD1-CB 4.24Å; F162-K254 HydrophobicContact CE1-CB 4.2Å; F162-K254 HydrophobicContact CE1-CG 4.21Å; Y192-K254 HydrophobicContact CE2-CD 4.49Å; Y192-K254 HydrophobicContact CE2-CG 4.43Å; I193-K254 CarbonylContact C-O 3.52Å; I193-K254 WeakPolarHBondContact CA-O 3.21Å; Q194-K254 HydrophobicContact CB-CB 4.39Å; Q194-K254 PolarHBondContact N-O 2.92Å; Q194-K254 PolarHBondContact O-N 3.08Å; L196-K254 HydrophobicContact CD1-CB 4.09Å; L196-K254 HydrophobicContact CD2-CB 3.87Å; L196-K254 HydrophobicContact CD2-CD 4.44Å; L196-K254 HydrophobicContact CG-CB 4.02Å
255	V	77.7	Confident	74.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.4	175.7	-173.6	0	0	0	0	108.1	T160 W161 I163 P183 Y192 I193 L270	T160-V255 CarbonylContact C-O 3.42Å; T160-V255 WeakPolarHBondContact CA-O 3.28Å; W161-V255 HydrophobicContact CD2-CB 4.11Å; W161-V255 HydrophobicContact CD2-CG1 4.34Å; W161-V255 HydrophobicContact CG-CB 4.43Å; W161-V255 HydrophobicContact CH2-CG1 3.85Å; W161-V255 HydrophobicContact CZ2-CB 3.9Å; W161-V255 HydrophobicContact CZ2-CG1 3.24Å; W161-V255 PolarHBondContact N-O 2.94Å; W161-V255 PolarHBondContact O-N 2.98Å; I163-V255 HydrophobicContact CD1-CB 4.48Å; I163-V255 HydrophobicContact CD1-CG2 3.58Å; I163-V255 HydrophobicContact CG1-CG2 4.07Å; P183-V255 HydrophobicContact CG-CG1 3.72Å; Y192-V255 WeakPolarHBondContact O-CA 3.16Å; Y192-V255 WeakPolarHBondContact O-CG1 3.48Å; I193-V255 HydrophobicContact CB-CG2 4.3Å; I193-V255 HydrophobicContact CD1-CG2 3.96Å; I193-V255 HydrophobicContact CG1-CG2 3.99Å; V255-L270 HydrophobicContact CG1-CD1 4.13Å; V255-L270 HydrophobicContact CG2-CD1 4.27Å; V255-L270 HydrophobicContact CG2-CD2 4.29Å
256	G	72.5	Confident	73.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.4	178.8	0	0	0	0	0	111.7	G191 Y192	G191-G256 CarbonylContact C-O 3.57Å; G191-G256 WeakPolarHBondContact CA-O 3.18Å; Y192-G256 WeakPolarHBondContact CD1-O 3.48Å; Y192-G256 PolarHBondContact N-O 3.42Å; Y192-G256 PolarHBondContact O-N 3.48Å; Y192-G256 VanDerWaalsContact O-N 3.12Å
257	L	74	Confident	72.7	Confident	17 Å²	17	41.6 Å²	41.6	9%	0.089	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	151.8	172.1	-61.4	177.9	0	0	0	110.4	W161 P183 Y190 P264	W161-L257 HydrophobicContact CH2-CD2 4.35Å; W161-L257 HydrophobicContact CH2-CG 4.49Å; W161-L257 HydrophobicContact CZ3-CG 4.32Å; P183-L257 HydrophobicContact CB-CD2 4.15Å; P183-L257 HydrophobicContact CG-CD2 4.24Å; Y190-L257 WeakPolarHBondContact O-CA 3.44Å; L257-P264 HydrophobicContact CD1-CG 3.63Å; L257-P264 HydrophobicContact CD2-CG 3.6Å; L257-P264 HydrophobicContact CG-CG 4.26Å
258	F	69.5	Low	71.9	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.2	135	176.2	-72.4	-55.6	0	0	0	110.9	Y190 G191 Y192 N220 N222 S226 G260 V261	Y190-F258 PolarHBondContact O-N 3.07Å; G191-F258 VanDerWaalsContact C-CE2 3.4Å; G191-F258 WeakPolarHBondContact O-CE2 2.92Å; G191-F258 WeakPolarHBondContact O-CZ 3.05Å; Y192-F258 AromaticContact CD1-CD1 3.98Å; Y192-F258 HydrophobicContact CD1-CD1 3.98Å; Y192-F258 AromaticContact CD1-CE1 3.93Å; Y192-F258 HydrophobicContact CD1-CE1 3.93Å; Y192-F258 HydrophobicContact CG-CE1 4.29Å; N220-F258 HydrophobicContact CB-CD1 4.07Å; N220-F258 HydrophobicContact CB-CD2 4.45Å; N220-F258 HydrophobicContact CB-CE1 4.1Å; N220-F258 HydrophobicContact CB-CE2 4.47Å; N220-F258 HydrophobicContact CB-CG 4.25Å; N220-F258 HydrophobicContact CB-CZ 4.3Å; N220-F258 WeakPolarHBondContact ND2-CD2 3.49Å; N220-F258 WeakPolarHBondContact ND2-CE2 3.48Å; N220-F258 VanDerWaalsContact ND2-CG 3.33Å; N220-F258 WeakPolarHBondContact ND2-CG 3.08Å; N222-F258 HydrophobicContact CB-CD1 4.33Å; N222-F258 HydrophobicContact CB-CE1 4.39Å; S226-F258 VanDerWaalsContact OG-CZ 3.28Å; S226-F258 WeakPolarHBondContact OG-CZ 3.41Å; F258-G260 PolarHBondContact O-N 3.17Å; F258-V261 HydrophobicContact CB-CB 4.38Å; F258-V261 HydrophobicContact CB-CG2 3.57Å; F258-V261 HydrophobicContact CG-CG2 4.5Å; F258-V261 PolarHBondContact O-N 3.32Å
259	S	59.6	Low	71.3	Confident	61 Å²	61	47.9 Å²	47.9	43%	0.427	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	129.7	167.9	54.7	0	0	0	0	109.9	N222	N222-S259 PolarHBondContact ND2-OG 3.09Å; N222-S259 VanDerWaalsContact ND2-OG 3.12Å
260	G	56.5	Low	70.7	Confident	85 Å²	85	50.3 Å²	50.3	88%	0.876	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-2.7	176.7	0	0	0	0	0	116.1	F258	F258-G260 PolarHBondContact O-N 3.17Å
261	V	61.8	Low	70.2	Confident	36 Å²	36	51.6 Å²	51.6	22%	0.218	31%	0.314	C	S	.	.	S	Bend	trans	-87.2	144.1	170.3	-172	0	0	0	0	109.2	L157 Y190 F258	L157-V261 WeakPolarHBondContact CD2-O 3.39Å; Y190-V261 HydrophobicContact CD1-CG1 3.68Å; Y190-V261 HydrophobicContact CE1-CG1 4.25Å; F258-V261 HydrophobicContact CB-CB 4.38Å; F258-V261 HydrophobicContact CB-CG2 3.57Å; F258-V261 HydrophobicContact CG-CG2 4.5Å; F258-V261 PolarHBondContact O-N 3.32Å
262	S	61.8	Low	69.8	Low	86 Å²	86	53.6 Å²	53.6	60%	0.601	32%	0.324	S	S	*	.			trans	-57.9	155.4	173.4	56.4	0	0	0	0	111.4
263	I	62.4	Low	69.6	Low	136 Å²	136	56.8 Å²	56.8	70%	0.697	34%	0.34	S	S	*	.			trans	-45.9	128.5	174.2	-60.8	171.2	0	0	0	109.2
264	P	64.9	Low	68.9	Low	32 Å²	32	59.7 Å²	59.7	21%	0.208	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-61	136	-179.3	-14.5	24.6	0	0	0	110	Y190 L257 T268	Y190-P264 HydrophobicContact CD1-CB 4.1Å; Y190-P264 HydrophobicContact CD1-CG 4.49Å; Y190-P264 HydrophobicContact CD2-CB 4.49Å; Y190-P264 HydrophobicContact CG-CB 3.95Å; Y190-P264 HydrophobicContact CG-CG 4.39Å; L257-P264 HydrophobicContact CD1-CG 3.63Å; L257-P264 HydrophobicContact CD2-CG 3.6Å; L257-P264 HydrophobicContact CG-CG 4.26Å; P264-T268 HydrophobicContact CB-CG2 4.12Å; P264-T268 WeakPolarHBondContact CB-OG1 3.01Å
265	P	69.4	Low	68.7	Low	52 Å²	52	62.1 Å²	62.1	34%	0.338	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-61.8	151.8	172.4	25.1	-31.9	0	0	0	111	L185 Y190 G267 T268	L185-P265 HydrophobicContact CD2-CB 4.17Å; L185-P265 HydrophobicContact CD2-CG 3.59Å; Y190-P265 HydrophobicContact CE1-CG 4.49Å; Y190-P265 HydrophobicContact CE2-CG 4.24Å; P265-G267 PolarHBondContact O-N 2.86Å; P265-T268 PolarHBondContact O-N 3.44Å; P265-T268 PolarHBondContact O-OG1 2.87Å
266	I	67.7	Low	67.7	Low	180 Å²	180	65.3 Å²	65.3	92%	0.923	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	132.1	171.5	-63.6	175.6	0	0	0	108.7
267	G	66.9	Low	66.5	Low	38 Å²	38	70.5 Å²	70.5	39%	0.392	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	0.3	-176.1	0	0	0	0	0	114.8	P265 N269	P265-G267 PolarHBondContact O-N 2.86Å; G267-N269 VanDerWaalsContact O-CG 3.28Å; G267-N269 PolarHBondContact O-N 2.99Å; G267-N269 PolarHBondContact O-ND2 3.4Å; G267-N269 PolarHBondContact O-OD1 2.84Å
268	T	68.2	Low	65.2	Low	31 Å²	31	72.5 Å²	72.5	19%	0.19	42%	0.424	C	S	.	.			trans	-61.5	122.6	169.3	-57.5	0	0	0	0	110.1	P183 Y190 P264 P265	P183-T268 HydrophobicContact CB-CG2 3.73Å; Y190-T268 HydrophobicContact CD2-CG2 3.91Å; Y190-T268 HydrophobicContact CG-CG2 4.47Å; P264-T268 HydrophobicContact CB-CG2 4.12Å; P264-T268 WeakPolarHBondContact CB-OG1 3.01Å; P265-T268 PolarHBondContact O-N 3.44Å; P265-T268 PolarHBondContact O-OG1 2.87Å
269	N	73.4	Confident	63.6	Low	100 Å²	100	75.6 Å²	75.6	54%	0.535	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.5	-172.5	-66.7	-33	0	0	0	111.7	P183 S184 G267	P183-N269 WeakPolarHBondContact CA-O 3.39Å; S184-N269 PolarHBondContact N-O 2.78Å; S184-N269 PolarHBondContact O-N 2.76Å; G267-N269 VanDerWaalsContact O-CG 3.28Å; G267-N269 PolarHBondContact O-N 2.99Å; G267-N269 PolarHBondContact O-ND2 3.4Å; G267-N269 PolarHBondContact O-OD1 2.84Å
270	L	73.2	Confident	62.1	Low	52 Å²	52	78.8 Å²	78.8	27%	0.272	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.3	161.8	-178	78.7	0	0	0	108.2	I163 S181 I193 V255 I272	I163-L270 HydrophobicContact CD1-CD2 3.14Å; S181-L270 WeakPolarHBondContact O-CD1 3.49Å; I193-L270 HydrophobicContact CB-CD1 4.4Å; I193-L270 HydrophobicContact CD1-CD1 3.85Å; I193-L270 HydrophobicContact CD1-CD2 4.36Å; V255-L270 HydrophobicContact CG1-CD1 4.13Å; V255-L270 HydrophobicContact CG2-CD1 4.27Å; V255-L270 HydrophobicContact CG2-CD2 4.29Å; L270-I272 HydrophobicContact CD2-CD1 4Å; L270-I272 HydrophobicContact CD2-CG1 4.3Å; L270-I272 HydrophobicContact CG-CG1 4.36Å
271	T	75.4	Confident	60.4	Low	53 Å²	53	79.6 Å²	79.6	33%	0.325	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.4	-179.6	-55	0	0	0	0	110.3	S181 K273	S181-T271 PolarHBondContact N-O 2.91Å; S181-T271 PolarHBondContact O-N 2.86Å; S181-T271 VanDerWaalsContact O-N 3.07Å; T271-K273 HydrophobicContact CG2-CG 4.26Å
272	I	74.3	Confident	58.8	Low	42 Å²	42	83.2 Å²	83.2	22%	0.215	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.3	174.3	-48.8	174.7	0	0	0	107.7	F144 N179 F180 L270	F144-I272 HydrophobicContact CD1-CD1 3.52Å; F144-I272 HydrophobicContact CD2-CD1 4.07Å; F144-I272 HydrophobicContact CE1-CD1 3.41Å; F144-I272 VanDerWaalsContact CE1-CD1 3.41Å; F144-I272 HydrophobicContact CE1-CG2 4.15Å; F144-I272 HydrophobicContact CE2-CB 4.21Å; F144-I272 HydrophobicContact CE2-CD1 3.98Å; F144-I272 HydrophobicContact CE2-CG2 3.95Å; F144-I272 HydrophobicContact CG-CD1 3.86Å; F144-I272 HydrophobicContact CZ-CB 4.14Å; F144-I272 HydrophobicContact CZ-CD1 3.68Å; F144-I272 HydrophobicContact CZ-CG1 4.49Å; F144-I272 HydrophobicContact CZ-CG2 3.49Å; F144-I272 VanDerWaalsContact CZ-CG2 3.49Å; N179-I272 WeakPolarHBondContact O-CA 3.37Å; F180-I272 HydrophobicContact CD1-CB 4.38Å; F180-I272 HydrophobicContact CD1-CD1 4.15Å; F180-I272 HydrophobicContact CD1-CG1 3.9Å; F180-I272 HydrophobicContact CD1-CG2 3.73Å; F180-I272 HydrophobicContact CE1-CB 4.48Å; F180-I272 HydrophobicContact CE1-CD1 4.09Å; F180-I272 HydrophobicContact CE1-CG1 4.21Å; F180-I272 HydrophobicContact CE1-CG2 3.51Å; F180-I272 HydrophobicContact CZ-CG2 4.16Å; L270-I272 HydrophobicContact CD2-CD1 4Å; L270-I272 HydrophobicContact CD2-CG1 4.3Å; L270-I272 HydrophobicContact CG-CG1 4.36Å
273	K	75.6	Confident	57.3	Low	134 Å²	134	82.9 Å²	82.9	58%	0.583	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.2	176.8	-67.6	-177.9	179	-179	0	109.5	M178 N179 T271	M178-K273 CarbonylContact C-O 3.57Å; M178-K273 WeakPolarHBondContact CA-O 3.42Å; N179-K273 HydrophobicContact CB-CB 4.3Å; N179-K273 PolarHBondContact N-O 2.87Å; N179-K273 PolarHBondContact O-N 2.81Å; T271-K273 HydrophobicContact CG2-CG 4.26Å
274	M	69	Low	55.8	Low	61 Å²	61	82.2 Å²	82.2	30%	0.3	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.3	174.6	-179.9	178.3	-71.6	0	0	109.8	I140 V142 I167 L176 I177 M178	I140-M274 HydrophobicContact CG2-SD 4.13Å; V142-M274 HydrophobicContact CB-CE 4.3Å; V142-M274 HydrophobicContact CG1-CE 4.16Å; V142-M274 HydrophobicContact CG2-CE 3.21Å; V142-M274 HydrophobicContact CG2-SD 3.47Å; V142-M274 WeakPolarHBondContact CG2-SD 3.47Å; I167-M274 HydrophobicContact CD1-CE 4.26Å; I167-M274 HydrophobicContact CG1-CE 4.45Å; I167-M274 HydrophobicContact CG2-CE 4.33Å; L176-M274 HydrophobicContact CD1-CE 3.72Å; L176-M274 HydrophobicContact CD1-CG 4.13Å; L176-M274 HydrophobicContact CD1-SD 3.62Å; L176-M274 HydrophobicContact CD2-CE 4.35Å; L176-M274 HydrophobicContact CG-CE 4.31Å; I177-M274 CarbonylContact O-C 3.47Å; I177-M274 WeakPolarHBondContact O-CA 3.47Å; M178-M274 HydrophobicContact CG-CB 4.3Å; M178-M274 HydrophobicContact CG-CE 3.68Å; M178-M274 HydrophobicContact CG-CG 4.18Å; M178-M274 HydrophobicContact SD-CE 3.35Å; M178-M274 WeakPolarHBondContact SD-CE 3.1Å
275	E	69.4	Low	54.5	Low	107 Å²	107	83.5 Å²	83.5	50%	0.5	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.6	168	-72.4	171.1	-163.7	0	0	107.7	I177	I177-E275 WeakPolarHBondContact CA-O 3.2Å; I177-E275 HydrophobicContact CB-CB 4.06Å; I177-E275 WeakPolarHBondContact CB-O 3.29Å; I177-E275 HydrophobicContact CG2-CB 4.47Å; I177-E275 PolarHBondContact N-O 3.43Å; I177-E275 PolarHBondContact O-N 2.85Å; I177-E275 VanDerWaalsContact O-O 3.09Å
276	H	57.5	Low	53.1	Low	68 Å²	68	83.8 Å²	83.8	32%	0.315	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.8	-178.5	-179.2	48.8	0	0	0	110.3	I140 H174 S175 S278	I140-H276 HydrophobicContact CD1-CB 4.13Å; I140-H276 WeakPolarHBondContact CD1-CD2 2.91Å; I140-H276 WeakPolarHBondContact CD1-NE2 3.29Å; H174-H276 AromaticContact CE1-NE2 3.92Å; H174-H276 AromaticContact CG-CE1 3.64Å; H174-H276 AromaticContact ND1-CE1 3.03Å; H174-H276 PolarHBondContact ND1-CE1 3.22Å; H174-H276 AromaticContact ND1-NE2 3.05Å; H174-H276 PolarHBondContact ND1-NE2 2.81Å; S175-H276 PolarHBondContact O-ND1 3.34Å; H276-S278 WeakPolarHBondContact NE2-CB 2.88Å
277	L	46.9	Very low	51.8	Low	109 Å²	109	76.9 Å²	76.9	57%	0.571	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	107.2	166.7	-78.6	123.3	0	0	0	107.8	S175 I177	S175-L277 WeakPolarHBondContact CA-O 2.96Å; S175-L277 WeakPolarHBondContact CB-O 3.28Å; S175-L277 PolarHBondContact N-O 2.63Å; S175-L277 PolarHBondContact O-N 3.12Å; S175-L277 PolarHBondContact OG-O 2.81Å; I177-L277 HydrophobicContact CD1-CD1 3.92Å
278	S	45	Very low	50.7	Low	58 Å²	58	78.1 Å²	78.1	41%	0.406	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.4	168.4	63.4	0	0	0	0	109.2	H276 N280	H276-S278 WeakPolarHBondContact NE2-CB 2.88Å; S278-N280 WeakPolarHBondContact CB-OD1 3.45Å; S278-N280 PolarHBondContact O-N 2.69Å; S278-N280 PolarHBondContact OG-OD1 2.74Å
279	S	36.4	Very low	49.8	Very low	66 Å²	66	81 Å²	81	46%	0.462	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	94.8	161.1	60.9	0	0	0	0	106.8	C281	S279-C281 PolarHBondContact O-N 2.78Å
280	N	27.7	Very low	48.6	Very low	129 Å²	129	80.5 Å²	80.5	69%	0.69	43%	0.432	S	S	*	.			trans	-63.8	103.4	-178.9	-70.8	-7.5	0	0	0	110.1	S278	S278-N280 WeakPolarHBondContact CB-OD1 3.45Å; S278-N280 PolarHBondContact O-N 2.69Å; S278-N280 PolarHBondContact OG-OD1 2.74Å
281	C	22.9	Very low	47.6	Very low	102 Å²	102	82 Å²	82	69%	0.689	44%	0.444	S	S	*	.			trans	-74	122.9	132.9	-106	0	0	0	0	105.2	S279 I283	S279-C281 PolarHBondContact O-N 2.78Å; C281-I283 VanDerWaalsContact C-N 3.25Å; C281-I283 PolarHBondContact O-N 2.86Å
282	P	27.3	Very low	46.4	Very low	111 Å²	111	84.6 Å²	84.6	72%	0.721	45%	0.451	S	S	*	.			trans	-72.5	84.7	-177.4	28.3	-31.3	0	0	0	109.3	Q284	P282-Q284 PolarHBondContact O-N 3.05Å
283	I	29.7	Very low	45.3	Very low	80 Å²	80	86 Å²	86	41%	0.41	46%	0.464	S	S	.	.			trans	-84	93.1	159.2	-54.2	176	0	0	0	104.2	C281 Y285	C281-I283 VanDerWaalsContact C-N 3.25Å; C281-I283 PolarHBondContact O-N 2.86Å; I283-Y285 HydrophobicContact CG2-CE1 4.37Å; I283-Y285 WeakPolarHBondContact O-CD2 3.45Å; I283-Y285 WeakPolarHBondContact O-CE2 2.96Å; I283-Y285 PolarHBondContact O-N 3.24Å
284	Q	32.2	Very low	44.1	Very low	122 Å²	122	81.2 Å²	81.2	57%	0.57	45%	0.446	S	S	*	.			trans	-76.6	105.8	-178.3	-87	-177.5	-28.5	0	0	109.6	P282	P282-Q284 PolarHBondContact O-N 3.05Å
285	Y	37.4	Very low	43.1	Very low	59 Å²	59	87.7 Å²	87.7	23%	0.231	48%	0.476	C	S	.	.			trans	-70.4	152.8	171.9	-60.5	-78.5	0	0	0	111.5	P171 I283 S287	P171-Y285 WeakPolarHBondContact CA-OH 3.44Å; P171-Y285 WeakPolarHBondContact CB-OH 3.42Å; P171-Y285 WeakPolarHBondContact CD-OH 3.35Å; P171-Y285 HydrophobicContact CG-CE1 4.04Å; P171-Y285 WeakPolarHBondContact CG-OH 3.22Å; P171-Y285 PolarHBondContact O-OH 3.07Å; I283-Y285 HydrophobicContact CG2-CE1 4.37Å; I283-Y285 WeakPolarHBondContact O-CD2 3.45Å; I283-Y285 WeakPolarHBondContact O-CE2 2.96Å; I283-Y285 PolarHBondContact O-N 3.24Å; Y285-S287 PolarHBondContact O-N 3.1Å; Y285-S287 VanDerWaalsContact O-N 3.08Å
286	D	38.3	Very low	41.9	Very low	57 Å²	57	89.8 Å²	89.8	31%	0.305	49%	0.486	S	S	.	.			trans	-57.3	117.7	158.7	-59.1	0.6	0	0	0	107.2	F310 I311 S312 K564	D286-F310 WeakPolarHBondContact CA-O 3.43Å; D286-F310 VanDerWaalsContact CB-O 3.31Å; D286-F310 WeakPolarHBondContact CB-O 3.44Å; D286-I311 WeakPolarHBondContact OD1-CA 3.33Å; D286-S312 WeakPolarHBondContact OD1-CA 3.45Å; D286-S312 WeakPolarHBondContact OD1-CB 3.48Å; D286-S312 PolarHBondContact OD1-N 2.93Å; D286-S312 PolarHBondContact OD1-OG 3.36Å; D286-K564 IonicContact OD2-NZ 3.12Å
287	S	40.9	Very low	41.5	Very low	35 Å²	35	88.5 Å²	88.5	25%	0.245	48%	0.482	C	S	.	.			trans	-133.8	147.9	-179.9	49.6	0	0	0	0	109.2	Y285 Y309 F310	Y285-S287 PolarHBondContact O-N 3.1Å; Y285-S287 VanDerWaalsContact O-N 3.08Å; S287-Y309 CarbonylContact O-C 3.51Å; S287-Y309 WeakPolarHBondContact O-CA 3.3Å; S287-F310 PolarHBondContact N-O 3Å; S287-F310 WeakPolarHBondContact O-CD2 2.87Å; S287-F310 PolarHBondContact O-N 3.01Å; S287-F310 WeakPolarHBondContact OG-CB 3.48Å; S287-F310 WeakPolarHBondContact OG-CD2 3.35Å; S287-F310 WeakPolarHBondContact OG-CG 3.44Å
288	V	43.9	Very low	41.5	Very low	64 Å²	64	89.8 Å²	89.8	39%	0.388	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	103.1	-177	-177	0	0	0	0	105.9	V307 N308 Y309	V288-V307 HydrophobicContact CB-CG1 4.4Å; V288-V307 HydrophobicContact CG1-CG1 3.15Å; V288-N308 CarbonylContact C-O 3.36Å; V288-N308 WeakPolarHBondContact CA-O 3.37Å; V288-Y309 HydrophobicContact CB-CE1 4.35Å; V288-Y309 HydrophobicContact CG1-CE1 4.13Å; V288-Y309 HydrophobicContact CG1-CE2 4.16Å; V288-Y309 HydrophobicContact CG2-CD1 3.58Å; V288-Y309 HydrophobicContact CG2-CE1 3.3Å; V288-Y309 HydrophobicContact CG2-CG 4.39Å
289	N	49.8	Very low	41.5	Very low	93 Å²	93	92.5 Å²	92.5	50%	0.497	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.2	179.9	-88.9	-12.6	0	0	0	109.9	T291 V307 N308	N289-T291 PolarHBondContact O-N 3.02Å; N289-V307 CarbonylContact O-C 3.56Å; N289-V307 WeakPolarHBondContact O-CA 3.34Å; N289-N308 HydrophobicContact CB-CB 4.42Å; N289-N308 PolarHBondContact N-O 3.45Å; N289-N308 PolarHBondContact O-N 2.86Å
290	F	47.4	Very low	41.9	Very low	88 Å²	88	93.1 Å²	93.1	39%	0.386	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	102.2	166.5	-71.9	-92.7	0	0	0	108.9	K292 C293 Y305 S306 V307 I562	F290-K292 VanDerWaalsContact C-N 3.31Å; F290-C293 HydrophobicContact CB-CB 4.17Å; F290-C293 HydrophobicContact CD1-CB 4.48Å; F290-Y305 HydrophobicContact CD1-CD1 4.2Å; F290-Y305 HydrophobicContact CE1-CD1 4.12Å; F290-S306 CarbonylContact C-O 3.56Å; F290-S306 VanDerWaalsContact CA-O 3.25Å; F290-S306 WeakPolarHBondContact CA-O 3.24Å; F290-V307 HydrophobicContact CD1-CG2 3.57Å; F290-V307 HydrophobicContact CE1-CG2 3.49Å; F290-V307 VanDerWaalsContact CE1-CG2 3.49Å; F290-V307 HydrophobicContact CG-CG2 4.23Å; F290-V307 HydrophobicContact CZ-CG2 4.11Å; F290-I562 HydrophobicContact CZ-CD1 4.21Å
291	T	53.3	Low	42.5	Very low	85 Å²	85	88.6 Å²	88.6	52%	0.521	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-20.6	173.9	49.9	0	0	0	0	111.8	N289 S306 N308	N289-T291 PolarHBondContact O-N 3.02Å; T291-S306 PolarHBondContact N-O 3.44Å; T291-S306 WeakPolarHBondContact OG1-CB 3.33Å; T291-S306 PolarHBondContact OG1-O 3.4Å; T291-N308 HydrophobicContact CG2-CB 4.38Å; T291-N308 WeakPolarHBondContact CG2-ND2 3.32Å
292	K	49.4	Very low	43.6	Very low	106 Å²	106	89 Å²	89	46%	0.461	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	115.5	172.1	-156.8	171.5	-175.4	178	0	108.6	F290 E304 Y305 S306	F290-K292 VanDerWaalsContact C-N 3.31Å; K292-E304 HydrophobicContact CD-CB 4.31Å; K292-E304 HydrophobicContact CD-CG 4.14Å; K292-E304 WeakPolarHBondContact CE-OE2 3.28Å; K292-E304 IonicContact NZ-OE2 3.1Å; K292-E304 PolarHBondContact NZ-OE2 2.63Å; K292-Y305 VanDerWaalsContact O-CA 3.28Å; K292-Y305 WeakPolarHBondContact O-CA 3.45Å; K292-S306 PolarHBondContact N-O 3.26Å; K292-S306 PolarHBondContact O-N 3.21Å
293	C	50.6	Low	44.7	Very low	72 Å²	72	86 Å²	86	49%	0.486	46%	0.464	S	S	.	.			trans	-136.6	118.1	173.3	-171.3	0	0	0	0	107	F290 Q295	F290-C293 HydrophobicContact CB-CB 4.17Å; F290-C293 HydrophobicContact CD1-CB 4.48Å; C293-Q295 PolarHBondContact O-N 3.16Å
294	P	51.6	Low	45.8	Very low	34 Å²	34	84.4 Å²	84.4	22%	0.221	45%	0.454	C	S	.	.			trans	-63.5	128	175.9	2.3	5.9	0	0	0	109.7	Q296 Y303 Y305	P294-Q296 PolarHBondContact O-N 3.32Å; P294-Y303 HydrophobicContact CB-CD1 3.53Å; P294-Y303 HydrophobicContact CB-CE1 4.17Å; P294-Y303 HydrophobicContact CB-CG 4.38Å; P294-Y303 HydrophobicContact CG-CD1 3.38Å; P294-Y303 HydrophobicContact CG-CE1 4.43Å; P294-Y303 HydrophobicContact CG-CG 3.77Å; P294-Y305 HydrophobicContact CG-CE1 4.34Å; P294-Y305 HydrophobicContact CG-CE2 4.35Å
295	Q	47.7	Very low	46.8	Very low	197 Å²	197	80.3 Å²	80.3	92%	0.921	43%	0.434	S	S	*	.	S	Bend	trans	-66.9	-22.6	178.9	-71.5	-169.5	-13.9	0	0	112.9	C293	C293-Q295 PolarHBondContact O-N 3.16Å
296	Q	45.1	Very low	47.7	Very low	150 Å²	150	78.6 Å²	78.6	70%	0.701	43%	0.431	S	S	*	.			trans	-139.7	132	-179.3	-154	172.9	5.1	0	0	109.4	P294 Y303	P294-Q296 PolarHBondContact O-N 3.32Å; Q296-Y303 WeakPolarHBondContact O-CE1 3.26Å
297	V	48.2	Very low	48.3	Very low	41 Å²	41	76.1 Å²	76.1	25%	0.248	42%	0.418	C	S	.	.			trans	-121	124.2	-178.8	-174.2	0	0	0	0	107.6	Y303 Y305 P558	V297-Y303 HydrophobicContact CB-CD2 4.34Å; V297-Y303 HydrophobicContact CB-CE2 4.02Å; V297-Y303 HydrophobicContact CG1-CD2 3.41Å; V297-Y303 VanDerWaalsContact CG1-CD2 3.41Å; V297-Y303 HydrophobicContact CG1-CE1 4.46Å; V297-Y303 HydrophobicContact CG1-CE2 3.18Å; V297-Y303 HydrophobicContact CG1-CG 4.16Å; V297-Y303 HydrophobicContact CG2-CD1 4.49Å; V297-Y303 HydrophobicContact CG2-CD2 4.47Å; V297-Y303 HydrophobicContact CG2-CG 4.44Å; V297-Y305 WeakPolarHBondContact CG2-OH 3.4Å; V297-P558 HydrophobicContact CB-CG 3.8Å; V297-P558 HydrophobicContact CG1-CG 3.8Å; V297-P558 HydrophobicContact CG2-CG 3.85Å
298	E	45.9	Very low	48.8	Very low	136 Å²	136	76.8 Å²	76.8	64%	0.636	42%	0.418	S	S	*	.			trans	-107.6	149.4	177.5	-60.4	-175.1	166.2	0	0	109.2	G300 G301 Y303	E298-G300 PolarHBondContact O-N 3.33Å; E298-G301 PolarHBondContact O-N 2.82Å; E298-Y303 WeakPolarHBondContact CA-OH 3.03Å; E298-Y303 WeakPolarHBondContact CB-OH 3.5Å; E298-Y303 PolarHBondContact N-OH 3.14Å; E298-Y303 WeakPolarHBondContact O-CE2 3.04Å; E298-Y303 PolarHBondContact O-OH 2.9Å
299	I	45.5	Very low	49.1	Very low	116 Å²	116	74.9 Å²	74.9	60%	0.595	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	132.5	179.6	-64	171.9	0	0	0	109.8	G301 T551 V554	I299-G301 PolarHBondContact O-N 3.16Å; I299-T551 HydrophobicContact CB-CG2 4.4Å; I299-T551 HydrophobicContact CD1-CG2 3.45Å; I299-T551 VanDerWaalsContact CD1-CG2 3.45Å; I299-T551 HydrophobicContact CG2-CG2 4.03Å; I299-V554 HydrophobicContact CD1-CG2 3.98Å
300	G	45.6	Very low	49	Very low	78 Å²	78	73 Å²	73	80%	0.804	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-6.5	-175.4	0	0	0	0	0	114.2	E298	E298-G300 PolarHBondContact O-N 3.33Å
301	G	40.4	Very low	49.2	Very low	35 Å²	35	69.5 Å²	69.5	36%	0.361	38%	0.377	S	S	.	.			trans	-70.3	147.3	174.6	0	0	0	0	0	112.1	E298 I299 Y303	E298-G301 PolarHBondContact O-N 2.82Å; I299-G301 PolarHBondContact O-N 3.16Å; G301-Y303 VanDerWaalsContact CA-CE2 3.42Å; G301-Y303 WeakPolarHBondContact O-CD2 3.25Å; G301-Y303 VanDerWaalsContact O-CE2 3.31Å; G301-Y303 WeakPolarHBondContact O-CE2 3.14Å
302	I	45	Very low	48.7	Very low	109 Å²	109	68.3 Å²	68.3	56%	0.559	37%	0.372	S	S	*	.			trans	-105.8	122	175.3	-60.5	174	0	0	0	107.5	W418	I302-W418 HydrophobicContact CD1-CH2 3.7Å; I302-W418 HydrophobicContact CD1-CZ2 3.35Å
303	Y	51.5	Low	48.5	Very low	48 Å²	48	69.7 Å²	69.7	19%	0.188	38%	0.375	C	S	.	.			trans	-120.3	135.1	-171.6	-64.7	-74	0	0	0	110.5	P294 Q296 V297 E298 G301 F586	P294-Y303 HydrophobicContact CB-CD1 3.53Å; P294-Y303 HydrophobicContact CB-CE1 4.17Å; P294-Y303 HydrophobicContact CB-CG 4.38Å; P294-Y303 HydrophobicContact CG-CD1 3.38Å; P294-Y303 HydrophobicContact CG-CE1 4.43Å; P294-Y303 HydrophobicContact CG-CG 3.77Å; Q296-Y303 WeakPolarHBondContact O-CE1 3.26Å; V297-Y303 HydrophobicContact CB-CD2 4.34Å; V297-Y303 HydrophobicContact CB-CE2 4.02Å; V297-Y303 HydrophobicContact CG1-CD2 3.41Å; V297-Y303 VanDerWaalsContact CG1-CD2 3.41Å; V297-Y303 HydrophobicContact CG1-CE1 4.46Å; V297-Y303 HydrophobicContact CG1-CE2 3.18Å; V297-Y303 HydrophobicContact CG1-CG 4.16Å; V297-Y303 HydrophobicContact CG2-CD1 4.49Å; V297-Y303 HydrophobicContact CG2-CD2 4.47Å; V297-Y303 HydrophobicContact CG2-CG 4.44Å; E298-Y303 WeakPolarHBondContact CA-OH 3.03Å; E298-Y303 WeakPolarHBondContact CB-OH 3.5Å; E298-Y303 PolarHBondContact N-OH 3.14Å; E298-Y303 WeakPolarHBondContact O-CE2 3.04Å; E298-Y303 PolarHBondContact O-OH 2.9Å; G301-Y303 VanDerWaalsContact CA-CE2 3.42Å; G301-Y303 WeakPolarHBondContact O-CD2 3.25Å; G301-Y303 VanDerWaalsContact O-CE2 3.31Å; G301-Y303 WeakPolarHBondContact O-CE2 3.14Å; Y303-F586 WeakPolarHBondContact O-CD2 3.37Å; Y303-F586 WeakPolarHBondContact O-CG 3.39Å
304	E	52.5	Low	48.4	Very low	47 Å²	47	66.9 Å²	66.9	22%	0.22	36%	0.355	C	S	.	.			trans	-95.5	120	174.4	-174	178.4	-163.3	0	0	109.4	K292	K292-E304 HydrophobicContact CD-CB 4.31Å; K292-E304 HydrophobicContact CD-CG 4.14Å; K292-E304 WeakPolarHBondContact CE-OE2 3.28Å; K292-E304 IonicContact NZ-OE2 3.1Å; K292-E304 PolarHBondContact NZ-OE2 2.63Å
305	Y	51.6	Low	48.2	Very low	37 Å²	37	70.9 Å²	70.9	15%	0.145	37%	0.374	C	S	.	.			trans	-107.3	114.4	170.6	-66.4	-93.5	0	0	0	108.6	F290 K292 P294 V297 F586	F290-Y305 HydrophobicContact CD1-CD1 4.2Å; F290-Y305 HydrophobicContact CE1-CD1 4.12Å; K292-Y305 VanDerWaalsContact O-CA 3.28Å; K292-Y305 WeakPolarHBondContact O-CA 3.45Å; P294-Y305 HydrophobicContact CG-CE1 4.34Å; P294-Y305 HydrophobicContact CG-CE2 4.35Å; V297-Y305 WeakPolarHBondContact CG2-OH 3.4Å; Y305-F586 HydrophobicContact CD2-CE2 4.26Å
306	S	57.7	Low	48.3	Very low	22 Å²	22	62.7 Å²	62.7	15%	0.154	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.3	172.7	-63.7	0	0	0	0	108.6	F290 T291 K292	F290-S306 CarbonylContact C-O 3.56Å; F290-S306 VanDerWaalsContact CA-O 3.25Å; F290-S306 WeakPolarHBondContact CA-O 3.24Å; T291-S306 PolarHBondContact N-O 3.44Å; T291-S306 WeakPolarHBondContact OG1-CB 3.33Å; T291-S306 PolarHBondContact OG1-O 3.4Å; K292-S306 PolarHBondContact N-O 3.26Å; K292-S306 PolarHBondContact O-N 3.21Å
307	V	49.8	Very low	48.9	Very low	6 Å²	6	60.4 Å²	60.4	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.6	-175.5	-173.4	0	0	0	0	108.8	V288 N289 F290 Y309	V288-V307 HydrophobicContact CB-CG1 4.4Å; V288-V307 HydrophobicContact CG1-CG1 3.15Å; N289-V307 CarbonylContact O-C 3.56Å; N289-V307 WeakPolarHBondContact O-CA 3.34Å; F290-V307 HydrophobicContact CD1-CG2 3.57Å; F290-V307 HydrophobicContact CE1-CG2 3.49Å; F290-V307 VanDerWaalsContact CE1-CG2 3.49Å; F290-V307 HydrophobicContact CG-CG2 4.23Å; F290-V307 HydrophobicContact CZ-CG2 4.11Å; V307-Y309 HydrophobicContact CB-CD2 4.48Å; V307-Y309 HydrophobicContact CB-CE2 4.16Å; V307-Y309 HydrophobicContact CG1-CD2 3.85Å; V307-Y309 HydrophobicContact CG1-CE2 3.5Å
308	N	51.9	Low	49.3	Very low	48 Å²	48	60.6 Å²	60.6	26%	0.257	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.9	169.1	-73.8	-2.1	0	0	0	108.5	V288 N289 T291 F310	V288-N308 CarbonylContact C-O 3.36Å; V288-N308 WeakPolarHBondContact CA-O 3.37Å; N289-N308 HydrophobicContact CB-CB 4.42Å; N289-N308 PolarHBondContact N-O 3.45Å; N289-N308 PolarHBondContact O-N 2.86Å; T291-N308 HydrophobicContact CG2-CB 4.38Å; T291-N308 WeakPolarHBondContact CG2-ND2 3.32Å; N308-F310 HydrophobicContact CB-CE2 4.12Å
309	Y	49.6	Very low	49.9	Very low	24 Å²	24	57.8 Å²	57.8	9%	0.094	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.2	166.3	-79.8	-98.1	0	0	0	109.1	S287 V288 V307 F320 V582	S287-Y309 CarbonylContact O-C 3.51Å; S287-Y309 WeakPolarHBondContact O-CA 3.3Å; V288-Y309 HydrophobicContact CB-CE1 4.35Å; V288-Y309 HydrophobicContact CG1-CE1 4.13Å; V288-Y309 HydrophobicContact CG1-CE2 4.16Å; V288-Y309 HydrophobicContact CG2-CD1 3.58Å; V288-Y309 HydrophobicContact CG2-CE1 3.3Å; V288-Y309 HydrophobicContact CG2-CG 4.39Å; V307-Y309 HydrophobicContact CB-CD2 4.48Å; V307-Y309 HydrophobicContact CB-CE2 4.16Å; V307-Y309 HydrophobicContact CG1-CD2 3.85Å; V307-Y309 HydrophobicContact CG1-CE2 3.5Å; Y309-F320 HydrophobicContact CD1-CD1 4.47Å; Y309-F320 HydrophobicContact CD1-CE1 4.26Å; Y309-F320 HydrophobicContact CE1-CD1 4.36Å; Y309-F320 HydrophobicContact CG-CE1 4.45Å; Y309-V582 HydrophobicContact CD2-CB 3.9Å; Y309-V582 HydrophobicContact CD2-CG2 3.73Å; Y309-V582 HydrophobicContact CG-CG2 4.09Å
310	F	49.2	Very low	50.6	Low	55 Å²	55	53.3 Å²	53.3	24%	0.241	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-93.3	133.7	161.8	-61.4	-93.2	0	0	0	106.4	D286 S287 N308	D286-F310 WeakPolarHBondContact CA-O 3.43Å; D286-F310 VanDerWaalsContact CB-O 3.31Å; D286-F310 WeakPolarHBondContact CB-O 3.44Å; S287-F310 PolarHBondContact N-O 3Å; S287-F310 WeakPolarHBondContact O-CD2 2.87Å; S287-F310 PolarHBondContact O-N 3.01Å; S287-F310 WeakPolarHBondContact OG-CB 3.48Å; S287-F310 WeakPolarHBondContact OG-CD2 3.35Å; S287-F310 WeakPolarHBondContact OG-CG 3.44Å; N308-F310 HydrophobicContact CB-CE2 4.12Å
311	I	51.1	Low	51.1	Low	13 Å²	13	50.8 Å²	50.8	7%	0.067	27%	0.269	C	S	.	.			trans	-128.6	112.1	177.7	-50.1	177.1	0	0	0	106.8	D286 R313 Y318 F320 V580	D286-I311 WeakPolarHBondContact OD1-CA 3.33Å; I311-R313 PolarHBondContact O-N 2.91Å; I311-Y318 HydrophobicContact CG2-CE1 4.09Å; I311-F320 HydrophobicContact CD1-CE1 4.17Å; I311-F320 HydrophobicContact CD1-CZ 3.81Å; I311-V580 HydrophobicContact CD1-CB 3.84Å; I311-V580 HydrophobicContact CD1-CG1 4.08Å; I311-V580 HydrophobicContact CD1-CG2 4.12Å; I311-V580 HydrophobicContact CG1-CB 4.37Å
312	S	41.8	Very low	52	Low	61 Å²	61	50.1 Å²	50.1	43%	0.427	26%	0.256	S	S	.	.	S	Bend	trans	-63.7	-17.7	178.6	55.8	0	0	0	0	113.2	D286	D286-S312 WeakPolarHBondContact OD1-CA 3.45Å; D286-S312 WeakPolarHBondContact OD1-CB 3.48Å; D286-S312 PolarHBondContact OD1-N 2.93Å; D286-S312 PolarHBondContact OD1-OG 3.36Å
313	R	46.3	Very low	52.4	Low	134 Å²	134	46.1 Å²	46.1	51%	0.506	24%	0.237	S	C	.	.			trans	-130	82	-175.8	-69.6	-177.8	-83.6	-170	-3.4	112.2	I311 I315 Y318 E566	I311-R313 PolarHBondContact O-N 2.91Å; R313-I315 PolarHBondContact O-N 2.88Å; R313-Y318 PolarHBondContact O-OH 2.9Å; R313-E566 IonicContact NH2-OE1 2.73Å
314	P	48	Very low	52.4	Low	13 Å²	13	45.1 Å²	45.1	8%	0.084	24%	0.236	C	C	.	.			trans	-79.2	24.9	-170.7	30.7	-35.6	0	0	0	116.6	F342 T578	P314-F342 HydrophobicContact CB-CE1 4.01Å; P314-F342 HydrophobicContact CB-CZ 3.74Å; P314-F342 WeakPolarHBondContact O-CE1 3.12Å; P314-T578 HydrophobicContact CB-CG2 3.21Å; P314-T578 HydrophobicContact CG-CG2 3.58Å
315	I	47.8	Very low	52.2	Low	118 Å²	118	45.9 Å²	45.9	61%	0.605	24%	0.241	S	C	*	.	S	Bend	trans	-127.4	127.2	175.4	-56.5	173.8	0	0	0	108.7	R313 L374	R313-I315 PolarHBondContact O-N 2.88Å; I315-L374 WeakPolarHBondContact CA-O 3.11Å
316	G	50.1	Low	51.9	Low	26 Å²	26	49.8 Å²	49.8	27%	0.268	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.2	-178.1	176.1	0	0	0	0	0	114	L374	G316-L374 PolarHBondContact O-N 3.05Å
317	D	57.1	Low	51.3	Low	102 Å²	102	57 Å²	57	55%	0.545	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.5	174.6	-59.5	-22	0	0	0	109.7	V371 S372 N373	D317-V371 CarbonylContact C-O 3.5Å; D317-V371 VanDerWaalsContact CA-O 3.25Å; D317-V371 WeakPolarHBondContact CA-O 3.46Å; D317-S372 WeakPolarHBondContact OD1-CA 3.34Å; D317-S372 WeakPolarHBondContact OD1-CB 3.5Å; D317-N373 PolarHBondContact OD1-N 2.78Å
318	Y	56.2	Low	51.2	Low	44 Å²	44	61.4 Å²	61.4	17%	0.173	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.4	-177.3	-73.9	-80.4	0	0	0	110.7	I311 R313 F320 S370 V371	I311-Y318 HydrophobicContact CG2-CE1 4.09Å; R313-Y318 PolarHBondContact O-OH 2.9Å; Y318-F320 HydrophobicContact CG-CZ 4.38Å; Y318-S370 CarbonylContact O-C 3.45Å; Y318-S370 VanDerWaalsContact O-CA 3.22Å; Y318-S370 WeakPolarHBondContact O-CA 3.37Å; Y318-V371 PolarHBondContact N-O 3.32Å; Y318-V371 PolarHBondContact O-N 3.5Å
319	V	59.1	Low	50.9	Low	78 Å²	78	61.2 Å²	61.2	47%	0.473	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.8	167.6	-175.3	0	0	0	0	108.5	Y368 V369	V319-Y368 HydrophobicContact CG1-CD1 4.17Å; V319-V369 CarbonylContact C-O 3.39Å; V319-V369 WeakPolarHBondContact CA-O 3.45Å
320	F	61	Low	50.9	Low	21 Å²	21	64.3 Å²	64.3	9%	0.092	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.6	174.3	-56.1	-87.4	0	0	0	108.8	Y309 I311 Y318 F322 Y368 V369 V371 V582	Y309-F320 HydrophobicContact CD1-CD1 4.47Å; Y309-F320 HydrophobicContact CD1-CE1 4.26Å; Y309-F320 HydrophobicContact CE1-CD1 4.36Å; Y309-F320 HydrophobicContact CG-CE1 4.45Å; I311-F320 HydrophobicContact CD1-CE1 4.17Å; I311-F320 HydrophobicContact CD1-CZ 3.81Å; Y318-F320 HydrophobicContact CG-CZ 4.38Å; F320-F322 HydrophobicContact CB-CE2 3.62Å; F320-F322 HydrophobicContact CB-CZ 3.88Å; F320-Y368 CarbonylContact O-C 3.55Å; F320-Y368 WeakPolarHBondContact O-CA 3.1Å; F320-V369 HydrophobicContact CB-CB 4.29Å; F320-V369 HydrophobicContact CD2-CB 4.38Å; F320-V369 WeakPolarHBondContact CD2-O 3.08Å; F320-V369 PolarHBondContact N-O 2.72Å; F320-V369 PolarHBondContact O-N 2.88Å; F320-V371 HydrophobicContact CD2-CG2 4.21Å; F320-V371 HydrophobicContact CE2-CG2 3.85Å; F320-V582 HydrophobicContact CE1-CG2 4.23Å; F320-V582 HydrophobicContact CZ-CG2 4.29Å
321	T	56.3	Low	50.9	Low	25 Å²	25	62.8 Å²	62.8	15%	0.153	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.4	178.9	-52.1	0	0	0	0	109.6	T323 I366 G367 Y368	T321-T323 HydrophobicContact CG2-CG2 4.36Å; T321-I366 HydrophobicContact CG2-CG2 3.45Å; T321-I366 VanDerWaalsContact CG2-CG2 3.45Å; T321-G367 CarbonylContact C-O 3.59Å; T321-G367 WeakPolarHBondContact CA-O 3.31Å; T321-Y368 HydrophobicContact CG2-CD1 4Å; T321-Y368 HydrophobicContact CG2-CE1 3.74Å
322	F	57.6	Low	50.7	Low	21 Å²	21	65.3 Å²	65.3	9%	0.092	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.4	179.8	-58.9	-89.8	0	0	0	108.4	F320 I331 I334 I366 G367 V369 V582 V584	F320-F322 HydrophobicContact CB-CE2 3.62Å; F320-F322 HydrophobicContact CB-CZ 3.88Å; F322-I331 HydrophobicContact CB-CD1 3.93Å; F322-I331 WeakPolarHBondContact O-CD1 3.3Å; F322-I334 HydrophobicContact CD2-CD1 3.59Å; F322-I334 HydrophobicContact CD2-CG1 4.46Å; F322-I334 HydrophobicContact CD2-CG2 4.47Å; F322-I334 HydrophobicContact CE2-CD1 4.02Å; F322-I334 HydrophobicContact CE2-CG2 3.87Å; F322-I334 HydrophobicContact CG-CD1 4.22Å; F322-I334 HydrophobicContact CZ-CG2 4.06Å; F322-I366 CarbonylContact O-C 3.55Å; F322-I366 WeakPolarHBondContact O-CA 3.48Å; F322-G367 PolarHBondContact N-O 3.49Å; F322-G367 PolarHBondContact O-N 3.32Å; F322-V369 HydrophobicContact CD2-CG2 4.47Å; F322-V369 HydrophobicContact CE2-CB 4.35Å; F322-V369 HydrophobicContact CE2-CG2 3.81Å; F322-V582 HydrophobicContact CZ-CG1 4.37Å; F322-V584 HydrophobicContact CD1-CG2 4.41Å; F322-V584 HydrophobicContact CE1-CG2 3.63Å; F322-V584 HydrophobicContact CZ-CG2 3.97Å
323	T	54	Low	51	Low	25 Å²	25	66.9 Å²	66.9	15%	0.153	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.1	178.7	40.2	0	0	0	0	110.3	T321 T364 I366 T561	T321-T323 HydrophobicContact CG2-CG2 4.36Å; T323-T364 HydrophobicContact CG2-CG2 4.22Å; T323-I366 HydrophobicContact CG2-CB 4.33Å; T323-I366 HydrophobicContact CG2-CD1 4.3Å; T323-I366 HydrophobicContact CG2-CG1 3.96Å; T323-I366 HydrophobicContact CG2-CG2 3.92Å; T323-T561 PolarHBondContact OG1-O 3.49Å
324	T	52.8	Low	51.1	Low	27 Å²	27	60.6 Å²	60.6	17%	0.166	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.8	167.6	51.8	0	0	0	0	107.8	A329 I331 T364 T365	T324-A329 HydrophobicContact CG2-CB 4.01Å; T324-A329 PolarHBondContact OG1-O 3.25Å; T324-I331 HydrophobicContact CG2-CD1 4.44Å; T324-I331 HydrophobicContact CG2-CG1 4.16Å; T324-T364 WeakPolarHBondContact O-CA 3.08Å; T324-T364 WeakPolarHBondContact O-CG2 3.34Å; T324-T365 PolarHBondContact N-O 3.33Å; T324-T365 VanDerWaalsContact N-O 3.15Å; T324-T365 PolarHBondContact OG1-O 2.97Å
325	D	47.1	Very low	51.4	Low	63 Å²	63	61.2 Å²	61.2	34%	0.337	35%	0.352	S	S	.	.			trans	-86.9	141.2	173.3	-62.9	-34.6	0	0	0	108.5	T561	D325-T561 PolarHBondContact OD2-OG1 2.76Å; D325-T561 VanDerWaalsContact OD2-OG1 3.04Å
326	E	45.2	Very low	51.6	Low	120 Å²	120	57.1 Å²	57.1	56%	0.561	33%	0.332	S	S	*	.	S	Bend	trans	74.2	166	176.8	-51.6	-176.4	162.3	0	0	116.7
327	Y	46.1	Very low	51.9	Low	172 Å²	172	58.1 Å²	58.1	68%	0.675	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.2	125.9	-160.5	-63.5	-88.5	0	0	0	117.8	A329	Y327-A329 VanDerWaalsContact C-N 3.26Å; Y327-A329 PolarHBondContact O-N 3.39Å
328	S	46.4	Very low	51.8	Low	100 Å²	100	55 Å²	55	70%	0.699	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	22	154.4	43.8	0	0	0	0	117.6	S330	S328-S330 PolarHBondContact O-N 3.01Å
329	A	47.1	Very low	51.5	Low	43 Å²	43	54.2 Å²	54.2	36%	0.355	32%	0.316	S	S	.	.			trans	-80.8	113.1	165.3	0	0	0	0	0	109.7	T324 Y327 T365	T324-A329 HydrophobicContact CG2-CB 4.01Å; T324-A329 PolarHBondContact OG1-O 3.25Å; Y327-A329 VanDerWaalsContact C-N 3.26Å; Y327-A329 PolarHBondContact O-N 3.39Å; A329-T365 PolarHBondContact O-OG1 3.29Å
330	S	48.9	Very low	51	Low	89 Å²	89	56.2 Å²	56.2	62%	0.622	33%	0.329	S	S	*	.			trans	-98.7	130.6	169.5	59.8	0	0	0	0	109.9	S328 G332	S328-S330 PolarHBondContact O-N 3.01Å; S330-G332 PolarHBondContact O-N 3.15Å; S330-G332 VanDerWaalsContact O-N 3.14Å
331	I	49.3	Very low	50.2	Low	23 Å²	23	58.3 Å²	58.3	12%	0.118	34%	0.343	C	S	.	.			trans	-77.6	101	173.6	-57.2	173.1	0	0	0	108.3	F322 T324 I334 T365 F586	F322-I331 HydrophobicContact CB-CD1 3.93Å; F322-I331 WeakPolarHBondContact O-CD1 3.3Å; T324-I331 HydrophobicContact CG2-CD1 4.44Å; T324-I331 HydrophobicContact CG2-CG1 4.16Å; I331-I334 HydrophobicContact CG2-CD1 3.93Å; I331-I334 HydrophobicContact CG2-CG1 3.62Å; I331-T365 HydrophobicContact CB-CG2 4.4Å; I331-T365 HydrophobicContact CD1-CG2 4.25Å; I331-T365 HydrophobicContact CG1-CG2 4.14Å; I331-F586 HydrophobicContact CG2-CE1 4.48Å
332	G	46.7	Very low	49.5	Very low	67 Å²	67	58 Å²	58	69%	0.691	34%	0.34	S	S	*	.			trans	-73.4	-33.6	-174.5	0	0	0	0	0	114.9	S330	S330-G332 PolarHBondContact O-N 3.15Å; S330-G332 VanDerWaalsContact O-N 3.14Å
333	H	48.8	Very low	48.9	Very low	94 Å²	94	60.4 Å²	60.4	44%	0.435	36%	0.359	S	S	.	.			trans	-164.2	144.3	178.6	177.9	-101	0	0	0	110.4	K585	H333-K585 PolarHBondContact ND1-O 3.14Å
334	I	46.8	Very low	48.3	Very low	1 Å²	1	62 Å²	62	1%	0.005	37%	0.369	C	S	.	.			trans	-123.6	128.1	170.6	-53.7	164.7	0	0	0	106.9	F322 I331 I351 V369 V584	F322-I334 HydrophobicContact CD2-CD1 3.59Å; F322-I334 HydrophobicContact CD2-CG1 4.46Å; F322-I334 HydrophobicContact CD2-CG2 4.47Å; F322-I334 HydrophobicContact CE2-CD1 4.02Å; F322-I334 HydrophobicContact CE2-CG2 3.87Å; F322-I334 HydrophobicContact CG-CD1 4.22Å; F322-I334 HydrophobicContact CZ-CG2 4.06Å; I331-I334 HydrophobicContact CG2-CD1 3.93Å; I331-I334 HydrophobicContact CG2-CG1 3.62Å; I334-I351 HydrophobicContact CD1-CG2 4.28Å; I334-I351 WeakPolarHBondContact O-CD1 3.3Å; I334-V369 HydrophobicContact CB-CG2 3.83Å; I334-V369 HydrophobicContact CD1-CG2 3.84Å; I334-V369 HydrophobicContact CG1-CG2 4.45Å; I334-V369 HydrophobicContact CG2-CG2 3.39Å; I334-V584 HydrophobicContact CG1-CG1 4.42Å; I334-V584 HydrophobicContact CG2-CG1 4.28Å; I334-V584 HydrophobicContact CG2-CG2 4.08Å
335	S	54.7	Low	47.8	Very low	26 Å²	26	70.4 Å²	70.4	18%	0.182	40%	0.399	C	S	.	.			trans	-113.5	150.8	167	37.4	0	0	0	0	111.1	R583	S335-R583 CarbonylContact C-O 3.54Å; S335-R583 VanDerWaalsContact C-O 3.29Å; S335-R583 WeakPolarHBondContact CA-O 3.28Å; S335-R583 WeakPolarHBondContact CB-O 3.48Å; S335-R583 PolarHBondContact N-O 3.04Å; S335-R583 CarbonylContact O-C 3.53Å; S335-R583 PolarHBondContact OG-O 3.27Å
336	L	53	Low	47.8	Very low	32 Å²	32	68 Å²	68	17%	0.168	39%	0.386	C	S	.	.			trans	-115.5	127.4	169	176	75.2	0	0	0	107.2	L338 V371 V580 V582	L336-L338 HydrophobicContact CD2-CD2 4.3Å; L336-L338 HydrophobicContact CD2-CG 4.24Å; L336-L338 HydrophobicContact CG-CG 4.37Å; L336-V371 HydrophobicContact CD2-CB 4.27Å; L336-V371 HydrophobicContact CD2-CG1 3.91Å; L336-V371 HydrophobicContact CD2-CG2 3.32Å; L336-V580 HydrophobicContact CD1-CG1 3.86Å; L336-V582 HydrophobicContact CD1-CB 3.82Å; L336-V582 HydrophobicContact CD1-CG1 3.79Å; L336-V582 HydrophobicContact CD1-CG2 3.32Å
337	T	55	Low	47.8	Very low	48 Å²	48	70.2 Å²	70.2	29%	0.294	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-111	113.3	170.3	-53.9	0	0	0	0	108.3	E581	T337-E581 CarbonylContact C-O 3.56Å; T337-E581 VanDerWaalsContact C-O 3.28Å; T337-E581 VanDerWaalsContact CA-O 3.22Å; T337-E581 WeakPolarHBondContact CA-O 3.33Å; T337-E581 WeakPolarHBondContact CB-O 3.44Å; T337-E581 PolarHBondContact N-O 2.79Å; T337-E581 CarbonylContact O-C 3.46Å; T337-E581 WeakPolarHBondContact O-CA 3.22Å; T337-E581 VanDerWaalsContact O-CB 3.3Å; T337-E581 WeakPolarHBondContact O-CB 3.02Å; T337-E581 PolarHBondContact O-N 2.83Å
338	L	55.2	Low	47.7	Very low	37 Å²	37	63.4 Å²	63.4	19%	0.194	38%	0.38	C	S	.	.			trans	-82.6	136.3	171.9	-65.4	162.4	0	0	0	107.7	L336 F342 P346 L374 V580	L336-L338 HydrophobicContact CD2-CD2 4.3Å; L336-L338 HydrophobicContact CD2-CG 4.24Å; L336-L338 HydrophobicContact CG-CG 4.37Å; L338-F342 HydrophobicContact CB-CD2 4.15Å; L338-F342 HydrophobicContact CD2-CD2 4.37Å; L338-F342 HydrophobicContact CD2-CE2 4.26Å; L338-P346 HydrophobicContact CD1-CG 3.84Å; L338-L374 HydrophobicContact CD1-CD1 3.58Å; L338-L374 HydrophobicContact CD2-CD1 3.48Å; L338-L374 VanDerWaalsContact CD2-CD1 3.48Å; L338-L374 HydrophobicContact CD2-CD2 3.98Å; L338-L374 HydrophobicContact CD2-CG 4.23Å; L338-L374 HydrophobicContact CG-CD1 4.17Å; L338-V580 HydrophobicContact CD2-CB 4.32Å; L338-V580 HydrophobicContact CD2-CG1 3.61Å; L338-V580 HydrophobicContact CD2-CG2 3.91Å
339	P	50.4	Low	47.5	Very low	27 Å²	27	64.9 Å²	64.9	18%	0.175	37%	0.371	C	S	.	.			trans	-61.3	156.8	171.2	18.9	-23.7	0	0	0	110.1	T341 F342 V579	P339-T341 PolarHBondContact O-N 3.27Å; P339-F342 HydrophobicContact CG-CD2 4.22Å; P339-F342 HydrophobicContact CG-CE2 4.08Å; P339-F342 PolarHBondContact O-N 3.19Å; P339-V579 WeakPolarHBondContact CD-O 3.16Å; P339-V579 VanDerWaalsContact CG-C 3.44Å; P339-V579 HydrophobicContact CG-CB 4.08Å; P339-V579 WeakPolarHBondContact CG-O 3.47Å
340	T	49.4	Very low	47.6	Very low	120 Å²	120	69.1 Å²	69.1	74%	0.736	38%	0.381	S	S	*	.	S	Bend	trans	-62.6	-8	-177.1	54.2	0	0	0	0	113.7	F342	T340-F342 PolarHBondContact O-N 3.01Å
341	T	43	Very low	47.7	Very low	64 Å²	64	67.9 Å²	67.9	39%	0.393	37%	0.367	S	S	.	.			trans	-79.4	34.1	170.4	52.1	0	0	0	0	112.2	P339 N376 P377 T578	P339-T341 PolarHBondContact O-N 3.27Å; T341-N376 PolarHBondContact O-OD1 3.44Å; T341-P377 WeakPolarHBondContact O-CD 3.35Å; T341-T578 WeakPolarHBondContact CB-OG1 3.42Å; T341-T578 PolarHBondContact OG1-OG1 3.39Å
342	F	42	Very low	47.8	Very low	20 Å²	20	70 Å²	70	9%	0.088	38%	0.378	C	S	.	.			trans	-130.8	118.8	165.1	-73.9	-88.5	0	0	0	107.4	P314 L338 P339 T340 L374 Q375 T578 V579 V580	P314-F342 HydrophobicContact CB-CE1 4.01Å; P314-F342 HydrophobicContact CB-CZ 3.74Å; P314-F342 WeakPolarHBondContact O-CE1 3.12Å; L338-F342 HydrophobicContact CB-CD2 4.15Å; L338-F342 HydrophobicContact CD2-CD2 4.37Å; L338-F342 HydrophobicContact CD2-CE2 4.26Å; P339-F342 HydrophobicContact CG-CD2 4.22Å; P339-F342 HydrophobicContact CG-CE2 4.08Å; P339-F342 PolarHBondContact O-N 3.19Å; T340-F342 PolarHBondContact O-N 3.01Å; F342-L374 HydrophobicContact CD1-CD2 4.19Å; F342-L374 HydrophobicContact CD1-CG 3.85Å; F342-L374 HydrophobicContact CE1-CB 4.45Å; F342-L374 HydrophobicContact CE1-CD2 3.38Å; F342-L374 HydrophobicContact CE1-CG 3.49Å; F342-L374 VanDerWaalsContact CE1-CG 3.49Å; F342-L374 HydrophobicContact CE2-CD2 4.3Å; F342-L374 HydrophobicContact CZ-CD2 3.41Å; F342-L374 VanDerWaalsContact CZ-CD2 3.41Å; F342-L374 HydrophobicContact CZ-CG 4.01Å; F342-Q375 VanDerWaalsContact CD1-O 3.26Å; F342-Q375 WeakPolarHBondContact CD1-O 3.39Å; F342-T578 HydrophobicContact CD2-CG2 4.39Å; F342-T578 HydrophobicContact CE1-CG2 3.95Å; F342-T578 HydrophobicContact CE2-CG2 3.35Å; F342-T578 HydrophobicContact CZ-CG2 3.08Å; F342-V579 WeakPolarHBondContact CE2-O 3.36Å; F342-V580 HydrophobicContact CE2-CG2 3.65Å; F342-V580 HydrophobicContact CZ-CG2 3.62Å
343	S	44.5	Very low	47.9	Very low	70 Å²	70	70.5 Å²	70.5	49%	0.49	37%	0.368	S	S	.	.	S	Bend	trans	-71.7	-35.8	-177.9	31.2	0	0	0	0	111.4	N376 P377	S343-N376 PolarHBondContact OG-O 3.45Å; S343-P377 VanDerWaalsContact N-CG 3.34Å; S343-P377 WeakPolarHBondContact OG-CA 3.25Å
344	T	42	Very low	48.1	Very low	60 Å²	60	70.5 Å²	70.5	37%	0.368	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-111	117.2	-172.9	36.2	0	0	0	0	107.9	Q375	T344-Q375 WeakPolarHBondContact OG1-CB 3.2Å
345	Y	43.3	Very low	48.3	Very low	203 Å²	203	76.4 Å²	76.4	80%	0.796	40%	0.396	S	S	*	.			trans	-48.8	137.3	160.9	-109.4	-97.9	0	0	0	107.5	E347	Y345-E347 PolarHBondContact O-N 3.38Å
346	P	46.4	Very low	48	Very low	11 Å²	11	80 Å²	80	7%	0.071	41%	0.412	C	S	.	.			trans	-50.7	136.7	173.7	21.5	-32.9	0	0	0	108.6	L338 G348 V371 S372 L374	L338-P346 HydrophobicContact CD1-CG 3.84Å; P346-G348 PolarHBondContact O-N 2.95Å; P346-V371 HydrophobicContact CB-CG1 3.61Å; P346-V371 HydrophobicContact CG-CG1 3.78Å; P346-S372 VanDerWaalsContact CA-O 3.31Å; P346-S372 WeakPolarHBondContact CA-O 3.04Å; P346-S372 WeakPolarHBondContact CB-O 3.27Å; P346-L374 HydrophobicContact CB-CD1 4.33Å; P346-L374 HydrophobicContact CG-CD1 4.45Å
347	E	44	Very low	47.6	Very low	167 Å²	167	84 Å²	84	78%	0.78	44%	0.438	S	S	*	.	S	Bend	trans	-53.8	-22	-177.2	-85	-176.9	136.3	0	0	112.4	Y345 S372 N373	Y345-E347 PolarHBondContact O-N 3.38Å; E347-S372 PolarHBondContact N-O 3.11Å; E347-N373 PolarHBondContact OE2-ND2 3.07Å
348	G	45	Very low	47	Very low	30 Å²	30	83.9 Å²	83.9	31%	0.309	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	159.2	158.3	0	0	0	0	0	110.3	P346 S372	P346-G348 PolarHBondContact O-N 2.95Å; G348-S372 PolarHBondContact O-N 2.8Å; G348-S372 PolarHBondContact O-OG 3.42Å
349	Y	42.4	Very low	46.7	Very low	131 Å²	131	87.7 Å²	87.7	51%	0.514	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.5	152.3	68.6	-85.2	0	0	0	108.4	I351 S370	Y349-I351 HydrophobicContact CD2-CD1 4.21Å; Y349-I351 HydrophobicContact CD2-CG1 3.95Å; Y349-I351 HydrophobicContact CE2-CD1 3.86Å; Y349-I351 HydrophobicContact CE2-CG1 4.06Å; Y349-S370 CarbonylContact C-O 3.5Å; Y349-S370 WeakPolarHBondContact CA-O 3.4Å; Y349-S370 WeakPolarHBondContact CB-O 3.46Å
350	K	49.4	Very low	46.3	Very low	132 Å²	132	92.8 Å²	92.8	57%	0.574	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.4	175.6	-163.6	-174.6	177.3	-161.5	0	107.9	D352 V369 S370	K350-D352 IonicContact NZ-OD2 2.65Å; K350-V369 WeakPolarHBondContact O-CA 3.35Å; K350-S370 VanDerWaalsContact CB-OG 3.32Å; K350-S370 WeakPolarHBondContact CB-OG 3.49Å; K350-S370 PolarHBondContact N-O 2.85Å; K350-S370 PolarHBondContact O-N 2.74Å; K350-S370 PolarHBondContact O-OG 2.76Å
351	I	49.8	Very low	46	Very low	63 Å²	63	95 Å²	95	32%	0.323	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.7	172	-53.6	175.5	0	0	0	106.7	I334 Y349 Y368 V369	I334-I351 HydrophobicContact CD1-CG2 4.28Å; I334-I351 WeakPolarHBondContact O-CD1 3.3Å; Y349-I351 HydrophobicContact CD2-CD1 4.21Å; Y349-I351 HydrophobicContact CD2-CG1 3.95Å; Y349-I351 HydrophobicContact CE2-CD1 3.86Å; Y349-I351 HydrophobicContact CE2-CG1 4.06Å; I351-Y368 VanDerWaalsContact CA-O 3.26Å; I351-Y368 WeakPolarHBondContact CA-O 3.38Å; I351-V369 HydrophobicContact CG1-CG2 4.26Å
352	D	51.7	Low	45.9	Very low	67 Å²	67	95.4 Å²	95.4	36%	0.358	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.2	175.5	-147.5	-27.2	0	0	0	108.9	K350 G367 Y368	K350-D352 IonicContact NZ-OD2 2.65Å; D352-G367 CarbonylContact O-C 3.41Å; D352-G367 WeakPolarHBondContact O-CA 3.48Å; D352-Y368 HydrophobicContact CB-CD2 4.36Å; D352-Y368 PolarHBondContact N-O 2.94Å; D352-Y368 PolarHBondContact O-N 3.05Å
353	T	49.2	Very low	45.8	Very low	77 Å²	77	97.8 Å²	97.8	47%	0.472	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.3	177.1	53	0	0	0	0	109.1	I366	T353-I366 CarbonylContact C-O 3.51Å; T353-I366 VanDerWaalsContact CA-O 3.27Å; T353-I366 WeakPolarHBondContact CA-O 3.45Å
354	Q	53.7	Low	45.8	Very low	95 Å²	95	95.8 Å²	95.8	44%	0.444	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.7	176	-64.5	-175.4	3.7	0	0	110	I366 Y368	Q354-I366 PolarHBondContact N-O 2.82Å; Q354-I366 PolarHBondContact O-N 3.37Å; Q354-Y368 HydrophobicContact CB-CE2 4.35Å; Q354-Y368 HydrophobicContact CG-CE2 4.08Å
355	Q	51.2	Low	46.2	Very low	125 Å²	125	93.3 Å²	93.3	58%	0.584	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.5	170	-76.3	-176	-14.8	0	0	108.7	L363 T365	Q355-L363 HydrophobicContact CB-CD2 4.08Å; Q355-L363 HydrophobicContact CG-CD2 4.12Å; Q355-T365 HydrophobicContact CG-CG2 4.43Å
356	L	47.3	Very low	46.6	Very low	101 Å²	101	84.5 Å²	84.5	53%	0.529	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.4	171.6	-74.3	162	0	0	0	108.9	T364 I366	L356-T364 PolarHBondContact N-O 2.74Å; L356-I366 HydrophobicContact CD1-CD1 3.63Å; L356-I366 HydrophobicContact CD1-CG1 4.46Å
357	V	44.3	Very low	47	Very low	115 Å²	115	84 Å²	84	70%	0.697	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	98.5	174.9	-171.7	0	0	0	0	107.8	L363	V357-L363 HydrophobicContact CG2-CD2 4.35Å; V357-L363 HydrophobicContact CG2-CG 4.24Å
358	G	42.7	Very low	47.4	Very low	46 Å²	46	79.1 Å²	79.1	47%	0.474	43%	0.425	S	S	.	.			trans	-73.2	156	170.1	0	0	0	0	0	111.5	N360	G358-N360 VanDerWaalsContact C-N 3.3Å; G358-N360 PolarHBondContact O-N 3.38Å
359	S	48.4	Very low	48.1	Very low	118 Å²	118	77.8 Å²	77.8	83%	0.825	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.9	-176.6	43.9	0	0	0	0	114.4
360	N	42.4	Very low	48.7	Very low	134 Å²	134	73.6 Å²	73.6	72%	0.717	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	67.2	-172	-72.4	-16.7	0	0	0	113.1	G358	G358-N360 VanDerWaalsContact C-N 3.3Å; G358-N360 PolarHBondContact O-N 3.38Å
361	F	43	Very low	49.1	Very low	166 Å²	166	67.4 Å²	67.4	73%	0.728	37%	0.374	S	S	*	.	S	Bend	trans	84.4	145.5	175.6	-54	-90.7	0	0	0	116.5
362	V	40.7	Very low	49.3	Very low	72 Å²	72	66.4 Å²	66.4	44%	0.436	37%	0.372	S	S	.	.			trans	83	109.9	-178.2	-162.2	0	0	0	0	115.3
363	L	40.7	Very low	49.2	Very low	71 Å²	71	65.9 Å²	65.9	37%	0.372	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	92.7	172.2	-132.9	148.6	0	0	0	106.5	Q355 V357 T365	Q355-L363 HydrophobicContact CB-CD2 4.08Å; Q355-L363 HydrophobicContact CG-CD2 4.12Å; V357-L363 HydrophobicContact CG2-CD2 4.35Å; V357-L363 HydrophobicContact CG2-CG 4.24Å; L363-T365 PolarHBondContact O-N 2.88Å
364	T	44.6	Very low	49.3	Very low	28 Å²	28	62.3 Å²	62.3	17%	0.172	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.9	177.8	-54.6	0	0	0	0	108.3	T323 T324 L356 I366	T323-T364 HydrophobicContact CG2-CG2 4.22Å; T324-T364 WeakPolarHBondContact O-CA 3.08Å; T324-T364 WeakPolarHBondContact O-CG2 3.34Å; L356-T364 PolarHBondContact N-O 2.74Å; T364-I366 HydrophobicContact CG2-CG1 4.03Å
365	T	50.9	Low	48.9	Very low	7 Å²	7	62 Å²	62	4%	0.043	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.3	166.1	-54.9	0	0	0	0	108.1	T324 A329 I331 Q355 L363	T324-T365 PolarHBondContact N-O 3.33Å; T324-T365 VanDerWaalsContact N-O 3.15Å; T324-T365 PolarHBondContact OG1-O 2.97Å; A329-T365 PolarHBondContact O-OG1 3.29Å; I331-T365 HydrophobicContact CB-CG2 4.4Å; I331-T365 HydrophobicContact CD1-CG2 4.25Å; I331-T365 HydrophobicContact CG1-CG2 4.14Å; Q355-T365 HydrophobicContact CG-CG2 4.43Å; L363-T365 PolarHBondContact O-N 2.88Å
366	I	50.3	Low	48.2	Very low	19 Å²	19	59.2 Å²	59.2	10%	0.097	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.3	175.3	-44.6	-169.2	0	0	0	108.8	T321 F322 T323 T353 Q354 L356 T364 Y368	T321-I366 HydrophobicContact CG2-CG2 3.45Å; T321-I366 VanDerWaalsContact CG2-CG2 3.45Å; F322-I366 CarbonylContact O-C 3.55Å; F322-I366 WeakPolarHBondContact O-CA 3.48Å; T323-I366 HydrophobicContact CG2-CB 4.33Å; T323-I366 HydrophobicContact CG2-CD1 4.3Å; T323-I366 HydrophobicContact CG2-CG1 3.96Å; T323-I366 HydrophobicContact CG2-CG2 3.92Å; T353-I366 CarbonylContact C-O 3.51Å; T353-I366 VanDerWaalsContact CA-O 3.27Å; T353-I366 WeakPolarHBondContact CA-O 3.45Å; Q354-I366 PolarHBondContact N-O 2.82Å; Q354-I366 PolarHBondContact O-N 3.37Å; L356-I366 HydrophobicContact CD1-CD1 3.63Å; L356-I366 HydrophobicContact CD1-CG1 4.46Å; T364-I366 HydrophobicContact CG2-CG1 4.03Å; I366-Y368 HydrophobicContact CB-CE2 4.15Å; I366-Y368 HydrophobicContact CG2-CD1 4.46Å; I366-Y368 HydrophobicContact CG2-CD2 4.37Å; I366-Y368 HydrophobicContact CG2-CE1 3.82Å; I366-Y368 HydrophobicContact CG2-CE2 3.7Å; I366-Y368 VanDerWaalsContact CG2-CZ 3.4Å; I366-Y368 WeakPolarHBondContact CG2-OH 3.31Å
367	G	56.4	Low	47.8	Very low	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137	168.8	0	0	0	0	0	110.9	T321 F322 D352	T321-G367 CarbonylContact C-O 3.59Å; T321-G367 WeakPolarHBondContact CA-O 3.31Å; F322-G367 PolarHBondContact N-O 3.49Å; F322-G367 PolarHBondContact O-N 3.32Å; D352-G367 CarbonylContact O-C 3.41Å; D352-G367 WeakPolarHBondContact O-CA 3.48Å
368	Y	52	Low	46.9	Very low	65 Å²	65	54.7 Å²	54.7	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.5	173.9	-56	-84.7	0	0	0	109	V319 F320 T321 I351 D352 Q354 I366	V319-Y368 HydrophobicContact CG1-CD1 4.17Å; F320-Y368 CarbonylContact O-C 3.55Å; F320-Y368 WeakPolarHBondContact O-CA 3.1Å; T321-Y368 HydrophobicContact CG2-CD1 4Å; T321-Y368 HydrophobicContact CG2-CE1 3.74Å; I351-Y368 VanDerWaalsContact CA-O 3.26Å; I351-Y368 WeakPolarHBondContact CA-O 3.38Å; D352-Y368 HydrophobicContact CB-CD2 4.36Å; D352-Y368 PolarHBondContact N-O 2.94Å; D352-Y368 PolarHBondContact O-N 3.05Å; Q354-Y368 HydrophobicContact CB-CE2 4.35Å; Q354-Y368 HydrophobicContact CG-CE2 4.08Å; I366-Y368 HydrophobicContact CB-CE2 4.15Å; I366-Y368 HydrophobicContact CG2-CD1 4.46Å; I366-Y368 HydrophobicContact CG2-CD2 4.37Å; I366-Y368 HydrophobicContact CG2-CE1 3.82Å; I366-Y368 HydrophobicContact CG2-CE2 3.7Å; I366-Y368 VanDerWaalsContact CG2-CZ 3.4Å; I366-Y368 WeakPolarHBondContact CG2-OH 3.31Å
369	V	58.3	Low	46	Very low	1 Å²	1	61 Å²	61	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105	165.9	-178.1	0	0	0	0	108	V319 F320 F322 I334 K350 I351 V371	V319-V369 CarbonylContact C-O 3.39Å; V319-V369 WeakPolarHBondContact CA-O 3.45Å; F320-V369 HydrophobicContact CB-CB 4.29Å; F320-V369 HydrophobicContact CD2-CB 4.38Å; F320-V369 WeakPolarHBondContact CD2-O 3.08Å; F320-V369 PolarHBondContact N-O 2.72Å; F320-V369 PolarHBondContact O-N 2.88Å; F322-V369 HydrophobicContact CD2-CG2 4.47Å; F322-V369 HydrophobicContact CE2-CB 4.35Å; F322-V369 HydrophobicContact CE2-CG2 3.81Å; I334-V369 HydrophobicContact CB-CG2 3.83Å; I334-V369 HydrophobicContact CD1-CG2 3.84Å; I334-V369 HydrophobicContact CG1-CG2 4.45Å; I334-V369 HydrophobicContact CG2-CG2 3.39Å; K350-V369 WeakPolarHBondContact O-CA 3.35Å; I351-V369 HydrophobicContact CG1-CG2 4.26Å; V369-V371 HydrophobicContact CG1-CG2 4.07Å
370	S	56.7	Low	44.7	Very low	43 Å²	43	62.8 Å²	62.8	30%	0.301	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.3	171.7	63.8	0	0	0	0	109.7	Y318 Y349 K350	Y318-S370 CarbonylContact O-C 3.45Å; Y318-S370 VanDerWaalsContact O-CA 3.22Å; Y318-S370 WeakPolarHBondContact O-CA 3.37Å; Y349-S370 CarbonylContact C-O 3.5Å; Y349-S370 WeakPolarHBondContact CA-O 3.4Å; Y349-S370 WeakPolarHBondContact CB-O 3.46Å; K350-S370 VanDerWaalsContact CB-OG 3.32Å; K350-S370 WeakPolarHBondContact CB-OG 3.49Å; K350-S370 PolarHBondContact N-O 2.85Å; K350-S370 PolarHBondContact O-N 2.74Å; K350-S370 PolarHBondContact O-OG 2.76Å
371	V	57.3	Low	43.7	Very low	3 Å²	3	61.9 Å²	61.9	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.1	178.7	-170.3	0	0	0	0	107	D317 Y318 F320 L336 P346 V369 L374	D317-V371 CarbonylContact C-O 3.5Å; D317-V371 VanDerWaalsContact CA-O 3.25Å; D317-V371 WeakPolarHBondContact CA-O 3.46Å; Y318-V371 PolarHBondContact N-O 3.32Å; Y318-V371 PolarHBondContact O-N 3.5Å; F320-V371 HydrophobicContact CD2-CG2 4.21Å; F320-V371 HydrophobicContact CE2-CG2 3.85Å; L336-V371 HydrophobicContact CD2-CB 4.27Å; L336-V371 HydrophobicContact CD2-CG1 3.91Å; L336-V371 HydrophobicContact CD2-CG2 3.32Å; P346-V371 HydrophobicContact CB-CG1 3.61Å; P346-V371 HydrophobicContact CG-CG1 3.78Å; V369-V371 HydrophobicContact CG1-CG2 4.07Å; V371-L374 HydrophobicContact CG1-CD1 3.58Å
372	S	54.5	Low	42.5	Very low	41 Å²	41	60.8 Å²	60.8	29%	0.287	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.5	-177.2	48.7	0	0	0	0	112.8	D317 P346 E347 G348 L374	D317-S372 WeakPolarHBondContact OD1-CA 3.34Å; D317-S372 WeakPolarHBondContact OD1-CB 3.5Å; P346-S372 VanDerWaalsContact CA-O 3.31Å; P346-S372 WeakPolarHBondContact CA-O 3.04Å; P346-S372 WeakPolarHBondContact CB-O 3.27Å; E347-S372 PolarHBondContact N-O 3.11Å; G348-S372 PolarHBondContact O-N 2.8Å; G348-S372 PolarHBondContact O-OG 3.42Å; S372-L374 PolarHBondContact O-N 2.66Å
373	N	49.4	Very low	41.5	Very low	57 Å²	57	63.2 Å²	63.2	31%	0.305	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.6	44.1	170.7	-154.1	8.4	0	0	0	114.2	D317 E347 Q375	D317-N373 PolarHBondContact OD1-N 2.78Å; E347-N373 PolarHBondContact OE2-ND2 3.07Å; N373-Q375 PolarHBondContact O-N 2.74Å; N373-Q375 PolarHBondContact OD1-NE2 2.96Å
374	L	49.9	Very low	40.5	Very low	2 Å²	2	67.5 Å²	67.5	1%	0.01	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	119	176.3	-148.5	80.4	0	0	0	110.5	I315 G316 L338 F342 P346 V371 S372 V580	I315-L374 WeakPolarHBondContact CA-O 3.11Å; G316-L374 PolarHBondContact O-N 3.05Å; L338-L374 HydrophobicContact CD1-CD1 3.58Å; L338-L374 HydrophobicContact CD2-CD1 3.48Å; L338-L374 VanDerWaalsContact CD2-CD1 3.48Å; L338-L374 HydrophobicContact CD2-CD2 3.98Å; L338-L374 HydrophobicContact CD2-CG 4.23Å; L338-L374 HydrophobicContact CG-CD1 4.17Å; F342-L374 HydrophobicContact CD1-CD2 4.19Å; F342-L374 HydrophobicContact CD1-CG 3.85Å; F342-L374 HydrophobicContact CE1-CB 4.45Å; F342-L374 HydrophobicContact CE1-CD2 3.38Å; F342-L374 HydrophobicContact CE1-CG 3.49Å; F342-L374 VanDerWaalsContact CE1-CG 3.49Å; F342-L374 HydrophobicContact CE2-CD2 4.3Å; F342-L374 HydrophobicContact CZ-CD2 3.41Å; F342-L374 VanDerWaalsContact CZ-CD2 3.41Å; F342-L374 HydrophobicContact CZ-CG 4.01Å; P346-L374 HydrophobicContact CB-CD1 4.33Å; P346-L374 HydrophobicContact CG-CD1 4.45Å; V371-L374 HydrophobicContact CG1-CD1 3.58Å; S372-L374 PolarHBondContact O-N 2.66Å; L374-V580 HydrophobicContact CD2-CG2 3.84Å
375	Q	45.3	Very low	39.3	Very low	88 Å²	88	75.5 Å²	75.5	41%	0.411	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-134.6	139.7	-175.5	-69.5	-177.3	7.9	0	0	113.9	F342 T344 N373	F342-Q375 VanDerWaalsContact CD1-O 3.26Å; F342-Q375 WeakPolarHBondContact CD1-O 3.39Å; T344-Q375 WeakPolarHBondContact OG1-CB 3.2Å; N373-Q375 PolarHBondContact O-N 2.74Å; N373-Q375 PolarHBondContact OD1-NE2 2.96Å
376	N	36.5	Very low	37.8	Very low	67 Å²	67	81.5 Å²	81.5	36%	0.358	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-82.6	145.8	-175	-150.9	9.6	0	0	0	112.3	T341 S343	T341-N376 PolarHBondContact O-OD1 3.44Å; S343-N376 PolarHBondContact OG-O 3.45Å
377	P	39.1	Very low	36.3	Very low	52 Å²	52	89.9 Å²	89.9	34%	0.338	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-82.2	119.7	-178.3	18.9	-4.8	0	0	0	112.7	T341 S343	T341-P377 WeakPolarHBondContact O-CD 3.35Å; S343-P377 VanDerWaalsContact N-CG 3.34Å; S343-P377 WeakPolarHBondContact OG-CA 3.25Å
378	G	25.6	Very low	34.5	Very low	69 Å²	69	95.7 Å²	95.7	71%	0.711	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-95.6	116.6	144.4	0	0	0	0	0	109.5
379	E	23.5	Very low	33	Very low	179 Å²	179	102.2 Å²	102.2	84%	0.836	58%	0.579	S	S	*	*	S	Bend	trans	55.4	139.4	153.9	-63.6	-176.1	160.3	0	0	121.8
380	N	21.7	Very low	31.3	Very low	154 Å²	154	105.4 Å²	105.4	82%	0.824	61%	0.606	S	S	*	*			trans	85	106.2	160.8	-57.7	-32.7	0	0	0	119.3
381	S	20.7	Very low	29.6	Very low	116 Å²	116	110 Å²	110	81%	0.811	63%	0.625	S	S	*	*				-160	133.1	124.9	63	0	0	0	0	113
382	T	18.8	Very low	28	Very low	143 Å²	143	113 Å²	113	88%	0.877	65%	0.651	S	S	*	*			trans	-101.4	135.9	171.8	31.5	0	0	0	0	109.3
383	V	18.8	Very low	26.6	Very low	122 Å²	122	119.7 Å²	119.7	74%	0.739	68%	0.675	S	S	*	*			trans	-136.9	126.8	173.1	-174.8	0	0	0	0	111.1
384	N	19.3	Very low	25.4	Very low	161 Å²	161	121.9 Å²	121.9	86%	0.861	70%	0.701	S	S	*	*			trans	-77.4	151.4	-179.3	-82.8	-31.7	0	0	0	112.9
385	F	20.3	Very low	24.4	Very low	196 Å²	196	124.2 Å²	124.2	86%	0.86	73%	0.725	S	S	*	*			trans	-105.3	141.2	175.5	-67.6	-90.6	0	0	0	110.9
386	C	18.8	Very low	23.8	Very low	134 Å²	134	126.3 Å²	126.3	91%	0.905	75%	0.747	S	S	*	*			trans	-119.4	130.6	167.5	-74.2	0	0	0	0	109.9
387	E	19.6	Very low	23.7	Very low	195 Å²	195	130.2 Å²	130.2	91%	0.911	77%	0.767	S	S	*	*			trans	-86.6	148.4	179.6	-61.5	178.7	159.8	0	0	111.4
388	S	19.6	Very low	23.8	Very low	121 Å²	121	131 Å²	131	85%	0.846	77%	0.769	S	S	*	*			trans	-147.3	137.5	160.1	65.7	0	0	0	0	111.5
389	Q	19.9	Very low	24.5	Very low	202 Å²	202	128.7 Å²	128.7	94%	0.944	74%	0.743	S	S	*	*			trans	-83.7	148.8	-177.5	-68.1	175.4	-23.5	0	0	111.8
390	A	21.3	Very low	25.6	Very low	68 Å²	68	123.1 Å²	123.1	56%	0.562	73%	0.728	S	S	*	*			trans	-139.4	136	176.8	0	0	0	0	0	114.6	Q655	A390-Q655 PolarHBondContact O-NE2 2.97Å
391	I	22.9	Very low	26.9	Very low	140 Å²	140	117.7 Å²	117.7	72%	0.718	70%	0.702	S	S	*	*			trans	-88.8	154.4	-174	-62.8	168.5	0	0	0	111.9	F393 R491	I391-F393 HydrophobicContact CG2-CE2 4.49Å; I391-R491 PolarHBondContact O-NH1 3.02Å; I391-R491 PolarHBondContact O-NH2 3.03Å
392	A	22.2	Very low	28.4	Very low	67 Å²	67	112.3 Å²	112.3	55%	0.554	66%	0.664	S	S	*	*			trans	-97.6	144.4	-179.2	0	0	0	0	0	113.3
393	F	25.2	Very low	30.3	Very low	180 Å²	180	110.4 Å²	110.4	79%	0.789	65%	0.647	S	S	*	*			trans	-139.9	135.4	162.3	-90	-85.7	0	0	0	109.7	I391	I391-F393 HydrophobicContact CG2-CE2 4.49Å
394	A	25.4	Very low	32.1	Very low	104 Å²	104	105.2 Å²	105.2	86%	0.86	62%	0.615	S	S	*	*			trans	-120.7	114.9	176.7	0	0	0	0	0	108
395	G	28	Very low	34	Very low	50 Å²	50	100.4 Å²	100.4	52%	0.515	59%	0.591	S	S	.	*			trans	-137.7	116.1	179.7	0	0	0	0	0	109.7	N397	G395-N397 PolarHBondContact O-N 3.42Å
396	P	32.8	Very low	35.7	Very low	132 Å²	132	93 Å²	93	86%	0.857	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-0.8	-162.2	-19.6	32.2	0	0	0	119.2
397	N	35.1	Very low	37.6	Very low	149 Å²	149	92 Å²	92	80%	0.797	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.9	14.5	-165.1	-96.4	-24.2	0	0	0	116.5	G395	G395-N397 PolarHBondContact O-N 3.42Å
398	L	39.9	Very low	39.3	Very low	69 Å²	69	85.3 Å²	85.3	36%	0.361	51%	0.511	S	S	.	.	S	Bend	trans	-94.5	-7.9	-173.7	-81.4	164.9	0	0	0	114.3	S401 N402 T431	L398-S401 PolarHBondContact O-OG 3.14Å; L398-N402 PolarHBondContact O-ND2 3Å; L398-T431 HydrophobicContact CB-CG2 3.41Å; L398-T431 VanDerWaalsContact CB-CG2 3.41Å; L398-T431 HydrophobicContact CD1-CG2 3.95Å; L398-T431 HydrophobicContact CD2-CG2 3.84Å; L398-T431 HydrophobicContact CG-CG2 3.9Å
399	A	41.7	Very low	40.7	Very low	21 Å²	21	86 Å²	86	17%	0.174	51%	0.511	C	S	.	.	S	Bend	trans	-71.8	-34	-179.6	0	0	0	0	0	112.7	S401 N402 A433 I533	A399-S401 VanDerWaalsContact C-N 3.27Å; A399-S401 PolarHBondContact O-N 3.44Å; A399-N402 VanDerWaalsContact C-ND2 3.34Å; A399-N402 VanDerWaalsContact CA-ND2 3.34Å; A399-N402 WeakPolarHBondContact CA-ND2 3.28Å; A399-N402 PolarHBondContact O-N 3.03Å; A399-N402 PolarHBondContact O-ND2 3.26Å; A399-A433 HydrophobicContact CB-CB 4.01Å; A399-I533 HydrophobicContact CB-CD1 4.31Å; A399-I533 WeakPolarHBondContact O-CG2 3.35Å
400	A	44.9	Very low	41.8	Very low	62 Å²	62	81.6 Å²	81.6	51%	0.512	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.2	-172.1	0	0	0	0	0	114.5
401	S	50.2	Low	43	Very low	40 Å²	40	80.8 Å²	80.8	28%	0.28	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.1	-176.6	51.4	0	0	0	0	114	L398 A399 M428	L398-S401 PolarHBondContact O-OG 3.14Å; A399-S401 VanDerWaalsContact C-N 3.27Å; A399-S401 PolarHBondContact O-N 3.44Å; S401-M428 WeakPolarHBondContact CB-SD 3.25Å; S401-M428 WeakPolarHBondContact O-CE 3.4Å; S401-M428 PolarHBondContact OG-SD 3.5Å
402	N	52.3	Low	44.1	Very low	3 Å²	3	78.9 Å²	78.9	2%	0.016	48%	0.482	C	S	.	.			trans	-81.3	131.4	176.4	-58.1	-66.9	0	0	0	110.5	L398 A399 L425 S426 I427 M428 Y435 M526 I533	L398-N402 PolarHBondContact O-ND2 3Å; A399-N402 VanDerWaalsContact C-ND2 3.34Å; A399-N402 VanDerWaalsContact CA-ND2 3.34Å; A399-N402 WeakPolarHBondContact CA-ND2 3.28Å; A399-N402 PolarHBondContact O-N 3.03Å; A399-N402 PolarHBondContact O-ND2 3.26Å; N402-L425 HydrophobicContact CB-CD1 4.38Å; N402-S426 WeakPolarHBondContact CB-O 3.21Å; N402-S426 PolarHBondContact OD1-O 2.71Å; N402-I427 VanDerWaalsContact OD1-CA 3.28Å; N402-I427 WeakPolarHBondContact OD1-CA 3.22Å; N402-M428 PolarHBondContact OD1-N 2.73Å; N402-Y435 HydrophobicContact CB-CE1 4.35Å; N402-Y435 PolarHBondContact ND2-OH 3Å; N402-M526 HydrophobicContact CB-CE 3.93Å; N402-M526 WeakPolarHBondContact O-CE 3.49Å; N402-I533 WeakPolarHBondContact O-CG2 3.4Å
403	I	58.6	Low	45.6	Very low	103 Å²	103	75.7 Å²	75.7	53%	0.528	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134	-171.2	-56.9	175.5	0	0	0	109	T405 S426	I403-T405 HydrophobicContact CG2-CG2 3.86Å; I403-S426 PolarHBondContact O-N 2.61Å
404	I	55.5	Low	47.1	Very low	13 Å²	13	69.5 Å²	69.5	7%	0.067	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.3	165.5	-69.4	-162.3	0	0	0	108.6	V423 Q424 L425 I437 M526	I404-V423 HydrophobicContact CG2-CG1 3.24Å; I404-Q424 WeakPolarHBondContact CA-O 3.32Å; I404-L425 HydrophobicContact CG1-CD1 4.11Å; I404-I437 HydrophobicContact CD1-CD1 4.17Å; I404-I437 HydrophobicContact CD1-CG1 4.21Å; I404-M526 HydrophobicContact CD1-CB 3.5Å; I404-M526 VanDerWaalsContact CD1-CB 3.5Å; I404-M526 HydrophobicContact CD1-CG 3.83Å; I404-M526 HydrophobicContact CD1-SD 3.64Å; I404-M526 HydrophobicContact CG1-CB 4.05Å; I404-M526 HydrophobicContact CG1-CE 4.06Å; I404-M526 HydrophobicContact CG1-CG 4.36Å; I404-M526 HydrophobicContact CG1-SD 3.63Å
405	T	59.4	Low	48.8	Very low	59 Å²	59	64.8 Å²	64.8	36%	0.362	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.1	175.5	56.1	0	0	0	0	111.7	I403 V423 Q424	I403-T405 HydrophobicContact CG2-CG2 3.86Å; T405-V423 CarbonylContact O-C 3.54Å; T405-V423 WeakPolarHBondContact O-CA 3.19Å; T405-Q424 PolarHBondContact N-O 3.38Å; T405-Q424 PolarHBondContact O-N 2.72Å
406	L	57.1	Low	50.3	Low	40 Å²	40	65.2 Å²	65.2	21%	0.209	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.5	172.2	-169.3	77.7	0	0	0	109.1	D408 F421 V423 F536 V538	L406-D408 WeakPolarHBondContact CD2-O 3.39Å; L406-F421 HydrophobicContact CD1-CB 3.94Å; L406-V423 HydrophobicContact CD1-CG2 4.05Å; L406-F536 HydrophobicContact CB-CD1 4.45Å; L406-F536 HydrophobicContact CB-CE1 3.67Å; L406-F536 HydrophobicContact CB-CZ 3.82Å; L406-F536 HydrophobicContact CD2-CE1 4.01Å; L406-F536 HydrophobicContact CD2-CZ 4.31Å; L406-F536 HydrophobicContact CG-CE1 4.31Å; L406-V538 HydrophobicContact CD1-CG2 4.34Å; L406-V538 HydrophobicContact CD2-CG1 4.34Å
407	K	57.7	Low	51.7	Low	115 Å²	115	64.2 Å²	64.2	50%	0.5	36%	0.361	S	S	.	.			trans	-95.1	-30.1	-180	-81	-158.9	170.7	-177.6	0	114.8	N422 Q424	K407-N422 HydrophobicContact CB-CB 4.3Å; K407-N422 PolarHBondContact N-O 3.03Å; K407-Q424 HydrophobicContact CG-CB 4.47Å; K407-Q424 VanDerWaalsContact NZ-NE2 3.15Å
408	D	55.7	Low	53	Low	53 Å²	53	61.9 Å²	61.9	28%	0.283	34%	0.341	S	S	.	.			trans	-106.5	135.1	-174.8	-54.3	-38.8	0	0	0	111.1	L406 N422	L406-D408 WeakPolarHBondContact CD2-O 3.39Å; D408-N422 WeakPolarHBondContact OD2-CB 3.47Å; D408-N422 PolarHBondContact OD2-N 3.4Å; D408-N422 PolarHBondContact OD2-ND2 3.34Å
409	T	49	Very low	54.2	Low	136 Å²	136	59 Å²	59	83%	0.834	33%	0.326	S	S	*	.			trans	-121.8	-7	177.3	52.6	0	0	0	0	114.9
410	S	43.2	Very low	55.7	Low	110 Å²	110	61 Å²	61	77%	0.769	33%	0.331	S	S	*	.			trans	-116.6	50.7	-163.6	69.1	0	0	0	0	114.6
411	I	46.6	Very low	57	Low	50 Å²	50	58.4 Å²	58.4	26%	0.256	31%	0.308	S	S	.	.			trans	-94.6	126	178.2	-48.2	-169.6	0	0	0	109	N413 Q419 F420 F421	I411-N413 VanDerWaalsContact O-CG 3.24Å; I411-N413 PolarHBondContact O-N 3.13Å; I411-N413 VanDerWaalsContact O-N 3.12Å; I411-N413 PolarHBondContact O-ND2 2.9Å; I411-N413 PolarHBondContact O-OD1 2.67Å; I411-N413 VanDerWaalsContact O-OD1 3.14Å; I411-Q419 HydrophobicContact CG2-CG 4.29Å; I411-F420 WeakPolarHBondContact CD1-O 3.46Å; I411-F421 HydrophobicContact CB-CE1 4.41Å; I411-F421 HydrophobicContact CD1-CD1 3.61Å; I411-F421 HydrophobicContact CD1-CE1 3.37Å; I411-F421 HydrophobicContact CD1-CG 4.33Å; I411-F421 HydrophobicContact CD1-CZ 3.91Å; I411-F421 HydrophobicContact CG1-CD1 4.48Å; I411-F421 HydrophobicContact CG1-CE1 4.04Å
412	V	45.4	Very low	58.3	Low	100 Å²	100	58.3 Å²	58.3	61%	0.606	30%	0.304	S	S	*	.			trans	-64.8	108.8	166.4	-178.7	0	0	0	0	106.1	E414 T543	V412-E414 PolarHBondContact O-N 2.55Å; V412-T543 WeakPolarHBondContact CG1-OG1 3.25Å
413	N	53.5	Low	59.4	Low	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.304	C	S	.	.			trans	-94.7	97.9	-169.5	-65.6	-36.3	0	0	0	109.9	I411 Q419 L508 L540 P541 T543 S544	I411-N413 VanDerWaalsContact O-CG 3.24Å; I411-N413 PolarHBondContact O-N 3.13Å; I411-N413 VanDerWaalsContact O-N 3.12Å; I411-N413 PolarHBondContact O-ND2 2.9Å; I411-N413 PolarHBondContact O-OD1 2.67Å; I411-N413 VanDerWaalsContact O-OD1 3.14Å; N413-Q419 VanDerWaalsContact OD1-CD 3.28Å; N413-Q419 PolarHBondContact OD1-NE2 3.29Å; N413-Q419 PolarHBondContact OD1-OE1 3.35Å; N413-L508 HydrophobicContact CB-CD1 3.63Å; N413-L540 WeakPolarHBondContact ND2-CB 3.18Å; N413-P541 WeakPolarHBondContact CB-O 3.47Å; N413-P541 PolarHBondContact ND2-O 2.78Å; N413-T543 PolarHBondContact N-OG1 3.36Å; N413-T543 PolarHBondContact O-N 2.78Å; N413-S544 PolarHBondContact O-N 3.1Å
414	E	57	Low	60.4	Low	49 Å²	49	55 Å²	55	23%	0.229	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-87.8	130.1	170.4	-75.3	-177.8	-132.9	0	0	110.3	V412 K417 Q419	V412-E414 PolarHBondContact O-N 2.55Å; E414-K417 HydrophobicContact CB-CB 4.1Å; E414-K417 HydrophobicContact CB-CD 3.91Å; E414-K417 HydrophobicContact CB-CG 4.2Å; E414-K417 PolarHBondContact O-N 3.5Å; E414-K417 IonicContact OE1-NZ 2.93Å; E414-K417 VanDerWaalsContact OE2-CD 3.26Å; E414-K417 WeakPolarHBondContact OE2-CD 3.1Å; E414-K417 WeakPolarHBondContact OE2-CE 3.43Å; E414-K417 IonicContact OE2-NZ 2.93Å; E414-K417 PolarHBondContact OE2-NZ 2.79Å; E414-Q419 PolarHBondContact O-NE2 3.21Å
415	V	61.3	Low	61.4	Low	5 Å²	5	54.4 Å²	54.4	3%	0.03	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	140.6	174.1	176.7	0	0	0	0	110.3	K417 N510 I542 S544 M545	V415-K417 PolarHBondContact O-N 3.24Å; V415-N510 HydrophobicContact CG1-CB 3.49Å; V415-N510 VanDerWaalsContact CG1-CB 3.49Å; V415-N510 VanDerWaalsContact CG1-N 3.33Å; V415-I542 HydrophobicContact CG2-CG2 3.84Å; V415-S544 PolarHBondContact N-O 3.42Å; V415-M545 HydrophobicContact CG2-CG 3.88Å
416	E	60.4	Low	62.2	Low	59 Å²	59	52.7 Å²	52.7	28%	0.276	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	18.3	-175	-59.6	-74.2	176	0	0	115.1	R479 N507 L508 N510	E416-R479 IonicContact OE1-CZ 3.73Å; E416-R479 IonicContact OE1-NH1 3.54Å; E416-R479 PolarHBondContact OE1-NH1 3.08Å; E416-R479 VanDerWaalsContact OE1-NH1 3.1Å; E416-R479 IonicContact OE1-NH2 2.74Å; E416-R479 PolarHBondContact OE1-NH2 2.64Å; E416-R479 IonicContact OE2-CZ 2.63Å; E416-R479 IonicContact OE2-NH1 3.83Å; E416-R479 PolarHBondContact OE2-NH1 2.59Å; E416-R479 IonicContact OE2-NH2 2.69Å; E416-N507 VanDerWaalsContact CA-OD1 3.25Å; E416-N507 WeakPolarHBondContact CA-OD1 3.26Å; E416-L508 WeakPolarHBondContact CA-O 3.45Å; E416-L508 PolarHBondContact N-O 2.87Å; E416-N510 HydrophobicContact CG-CB 4.24Å; E416-N510 PolarHBondContact OE1-N 3.43Å
417	K	62.4	Low	62.9	Low	111 Å²	111	50.8 Å²	50.8	48%	0.483	26%	0.264	S	S	.	.	S	Bend	trans	-110.6	143.8	166.9	-76.6	-169.1	-178.5	169.6	0	112.7	E414 V415 Q419 N507	E414-K417 HydrophobicContact CB-CB 4.1Å; E414-K417 HydrophobicContact CB-CD 3.91Å; E414-K417 HydrophobicContact CB-CG 4.2Å; E414-K417 PolarHBondContact O-N 3.5Å; E414-K417 IonicContact OE1-NZ 2.93Å; E414-K417 VanDerWaalsContact OE2-CD 3.26Å; E414-K417 WeakPolarHBondContact OE2-CD 3.1Å; E414-K417 WeakPolarHBondContact OE2-CE 3.43Å; E414-K417 IonicContact OE2-NZ 2.93Å; E414-K417 PolarHBondContact OE2-NZ 2.79Å; V415-K417 PolarHBondContact O-N 3.24Å; K417-Q419 PolarHBondContact O-N 3.44Å; K417-N507 PolarHBondContact N-OD1 3Å; K417-N507 PolarHBondContact O-OD1 3.07Å
418	W	60.9	Low	63.5	Low	101 Å²	101	48.1 Å²	48.1	38%	0.383	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.4	173.9	-84.8	35.4	0	0	0	112	I302 F420 C452	I302-W418 HydrophobicContact CD1-CH2 3.7Å; I302-W418 HydrophobicContact CD1-CZ2 3.35Å; W418-F420 HydrophobicContact CE3-CE1 4.31Å; W418-F420 HydrophobicContact CE3-CE2 4.38Å; W418-F420 AromaticContact CE3-CZ 3.66Å; W418-F420 HydrophobicContact CE3-CZ 3.66Å; W418-F420 HydrophobicContact CZ3-CZ 4.17Å; W418-C452 HydrophobicContact CD2-CB 4.2Å; W418-C452 HydrophobicContact CH2-CB 4.03Å; W418-C452 HydrophobicContact CZ2-CB 3.66Å; W418-C452 HydrophobicContact CZ3-CB 4.43Å
419	Q	65.7	Low	64.2	Low	7 Å²	7	47.2 Å²	47.2	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	178.4	-67.3	173	10.4	0	0	110.2	I411 N413 E414 K417 F421 G505 V506	I411-Q419 HydrophobicContact CG2-CG 4.29Å; N413-Q419 VanDerWaalsContact OD1-CD 3.28Å; N413-Q419 PolarHBondContact OD1-NE2 3.29Å; N413-Q419 PolarHBondContact OD1-OE1 3.35Å; E414-Q419 PolarHBondContact O-NE2 3.21Å; K417-Q419 PolarHBondContact O-N 3.44Å; Q419-F421 HydrophobicContact CB-CE2 3.64Å; Q419-F421 HydrophobicContact CB-CZ 3.8Å; Q419-G505 CarbonylContact O-C 3.41Å; Q419-G505 VanDerWaalsContact O-CA 3.22Å; Q419-G505 WeakPolarHBondContact O-CA 3.27Å; Q419-V506 PolarHBondContact N-O 2.72Å; Q419-V506 PolarHBondContact O-N 2.95Å
420	F	72.8	Confident	64.9	Low	65 Å²	65	47.7 Å²	47.7	29%	0.285	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.8	-176.8	-67.1	-79.4	0	0	0	111.1	I411 W418 Q503 I504	I411-F420 WeakPolarHBondContact CD1-O 3.46Å; W418-F420 HydrophobicContact CE3-CE1 4.31Å; W418-F420 HydrophobicContact CE3-CE2 4.38Å; W418-F420 AromaticContact CE3-CZ 3.66Å; W418-F420 HydrophobicContact CE3-CZ 3.66Å; W418-F420 HydrophobicContact CZ3-CZ 4.17Å; F420-Q503 HydrophobicContact CB-CG 3.88Å; F420-Q503 HydrophobicContact CD1-CG 3.97Å; F420-Q503 HydrophobicContact CG-CG 4.33Å; F420-I504 CarbonylContact C-O 3.45Å; F420-I504 VanDerWaalsContact CA-O 3.28Å; F420-I504 WeakPolarHBondContact CA-O 3.29Å
421	F	72	Confident	65.9	Low	6 Å²	6	42.6 Å²	42.6	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.9	-179.2	-55.8	-85.7	0	0	0	110	L406 I411 Q419 Q503 I504 V506 L540	L406-F421 HydrophobicContact CD1-CB 3.94Å; I411-F421 HydrophobicContact CB-CE1 4.41Å; I411-F421 HydrophobicContact CD1-CD1 3.61Å; I411-F421 HydrophobicContact CD1-CE1 3.37Å; I411-F421 HydrophobicContact CD1-CG 4.33Å; I411-F421 HydrophobicContact CD1-CZ 3.91Å; I411-F421 HydrophobicContact CG1-CD1 4.48Å; I411-F421 HydrophobicContact CG1-CE1 4.04Å; Q419-F421 HydrophobicContact CB-CE2 3.64Å; Q419-F421 HydrophobicContact CB-CZ 3.8Å; F421-Q503 CarbonylContact O-C 3.5Å; F421-Q503 WeakPolarHBondContact O-CA 3.3Å; F421-I504 PolarHBondContact N-O 3.05Å; F421-I504 PolarHBondContact O-N 3.05Å; F421-V506 HydrophobicContact CD2-CG2 4.02Å; F421-V506 HydrophobicContact CE2-CG2 3.45Å; F421-V506 VanDerWaalsContact CE2-CG2 3.45Å; F421-V506 HydrophobicContact CZ-CG2 4.48Å; F421-L540 HydrophobicContact CD1-CD2 4.33Å; F421-L540 HydrophobicContact CE1-CD1 4.22Å; F421-L540 HydrophobicContact CE1-CD2 3.27Å; F421-L540 HydrophobicContact CE1-CG 4.37Å; F421-L540 HydrophobicContact CE2-CD1 4.11Å; F421-L540 HydrophobicContact CZ-CD1 3.49Å; F421-L540 VanDerWaalsContact CZ-CD1 3.49Å; F421-L540 HydrophobicContact CZ-CD2 3.45Å; F421-L540 VanDerWaalsContact CZ-CD2 3.45Å; F421-L540 HydrophobicContact CZ-CG 4.12Å
422	N	78.6	Confident	66.5	Low	38 Å²	38	44.8 Å²	44.8	20%	0.203	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.9	173.7	-61.5	-39.4	0	0	0	111.1	K407 D408 F502 Q503	K407-N422 HydrophobicContact CB-CB 4.3Å; K407-N422 PolarHBondContact N-O 3.03Å; D408-N422 WeakPolarHBondContact OD2-CB 3.47Å; D408-N422 PolarHBondContact OD2-N 3.4Å; D408-N422 PolarHBondContact OD2-ND2 3.34Å; N422-F502 CarbonylContact C-O 3.59Å; N422-F502 VanDerWaalsContact CA-O 3.29Å; N422-F502 WeakPolarHBondContact CA-O 3.39Å; N422-Q503 WeakPolarHBondContact OD1-CB 3.44Å; N422-Q503 PolarHBondContact OD1-NE2 3.01Å
423	V	74.5	Confident	67.1	Low	2 Å²	2	40.6 Å²	40.6	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.5	-178.8	178	0	0	0	0	108.6	I404 T405 L406 N501 F502 I504	I404-V423 HydrophobicContact CG2-CG1 3.24Å; T405-V423 CarbonylContact O-C 3.54Å; T405-V423 WeakPolarHBondContact O-CA 3.19Å; L406-V423 HydrophobicContact CD1-CG2 4.05Å; V423-N501 CarbonylContact O-C 3.47Å; V423-F502 PolarHBondContact N-O 3.41Å; V423-F502 PolarHBondContact O-N 3.45Å; V423-I504 HydrophobicContact CB-CD1 4.31Å; V423-I504 HydrophobicContact CG2-CD1 3.6Å; V423-I504 HydrophobicContact CG2-CG1 4.06Å
424	Q	79.9	Confident	67.4	Low	36 Å²	36	42.9 Å²	42.9	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.6	177.7	-177.8	173.6	71.6	0	0	110.1	I404 T405 K407 Y500 N501	I404-Q424 WeakPolarHBondContact CA-O 3.32Å; T405-Q424 PolarHBondContact N-O 3.38Å; T405-Q424 PolarHBondContact O-N 2.72Å; K407-Q424 HydrophobicContact CG-CB 4.47Å; K407-Q424 VanDerWaalsContact NZ-NE2 3.15Å; Q424-Y500 CarbonylContact C-O 3.56Å; Q424-Y500 WeakPolarHBondContact CA-O 3.39Å; Q424-N501 WeakPolarHBondContact CG-OD1 3.05Å; Q424-N501 PolarHBondContact NE2-OD1 2.77Å
425	L	76.6	Confident	67.8	Low	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.4	170	173.8	52.2	0	0	0	108.9	N402 I404 I427 I487 S499 Y500 F502 M526	N402-L425 HydrophobicContact CB-CD1 4.38Å; I404-L425 HydrophobicContact CG1-CD1 4.11Å; L425-I427 HydrophobicContact CD1-CD1 3.91Å; L425-I427 HydrophobicContact CD2-CD1 3.82Å; L425-I427 HydrophobicContact CD2-CG1 4.48Å; L425-I427 HydrophobicContact CG-CD1 3.68Å; L425-I427 HydrophobicContact CG-CG1 4.14Å; L425-I487 HydrophobicContact CD2-CD1 3.61Å; L425-S499 CarbonylContact O-C 3.53Å; L425-S499 VanDerWaalsContact O-CA 3.32Å; L425-S499 WeakPolarHBondContact O-CA 3.47Å; L425-Y500 PolarHBondContact N-O 3.27Å; L425-Y500 PolarHBondContact O-N 3.27Å; L425-F502 HydrophobicContact CB-CD2 4.3Å; L425-F502 HydrophobicContact CB-CE2 3.78Å; L425-F502 HydrophobicContact CD2-CE2 4.17Å; L425-M526 HydrophobicContact CD1-CE 3.7Å; L425-M526 HydrophobicContact CD1-SD 3.3Å; L425-M526 WeakPolarHBondContact CD1-SD 3.38Å; L425-M526 HydrophobicContact CD2-SD 4.05Å; L425-M526 HydrophobicContact CG-SD 4.29Å
426	S	76.5	Confident	68.2	Low	23 Å²	23	40.4 Å²	40.4	16%	0.161	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.6	173.4	-155.1	0	0	0	0	110.1	N402 I403 N497	N402-S426 WeakPolarHBondContact CB-O 3.21Å; N402-S426 PolarHBondContact OD1-O 2.71Å; I403-S426 PolarHBondContact O-N 2.61Å; S426-N497 PolarHBondContact OG-ND2 3.17Å
427	I	72.1	Confident	68.8	Low	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119	177.8	-57.6	-63.4	0	0	0	108.8	N402 L425 T431 Y435 F490 N492 N497 V498 Y500	N402-I427 VanDerWaalsContact OD1-CA 3.28Å; N402-I427 WeakPolarHBondContact OD1-CA 3.22Å; L425-I427 HydrophobicContact CD1-CD1 3.91Å; L425-I427 HydrophobicContact CD2-CD1 3.82Å; L425-I427 HydrophobicContact CD2-CG1 4.48Å; L425-I427 HydrophobicContact CG-CD1 3.68Å; L425-I427 HydrophobicContact CG-CG1 4.14Å; I427-T431 WeakPolarHBondContact CG2-OG1 3.35Å; I427-Y435 HydrophobicContact CD1-CD2 4.28Å; I427-Y435 HydrophobicContact CD1-CE1 4.45Å; I427-Y435 HydrophobicContact CD1-CE2 3.62Å; I427-F490 HydrophobicContact CD1-CB 3.97Å; I427-F490 HydrophobicContact CD1-CG 4.49Å; I427-F490 HydrophobicContact CG1-CB 3.94Å; I427-F490 HydrophobicContact CG1-CG 4.46Å; I427-N492 HydrophobicContact CB-CB 4.36Å; I427-N492 HydrophobicContact CG2-CB 3.64Å; I427-N492 PolarHBondContact O-ND2 3.38Å; I427-N497 VanDerWaalsContact O-CA 3.32Å; I427-N497 WeakPolarHBondContact O-CA 3.39Å; I427-V498 PolarHBondContact N-O 2.89Å; I427-V498 PolarHBondContact O-N 2.88Å; I427-Y500 HydrophobicContact CB-CE2 4.15Å; I427-Y500 HydrophobicContact CG1-CD2 3.68Å; I427-Y500 HydrophobicContact CG1-CE2 3.64Å
428	M	68.9	Low	69.6	Low	59 Å²	59	34.6 Å²	34.6	29%	0.291	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-63.1	163.4	-178.1	-85.2	-160.2	174.9	0	0	113.2	S401 N402 T431 N492	S401-M428 WeakPolarHBondContact CB-SD 3.25Å; S401-M428 WeakPolarHBondContact O-CE 3.4Å; S401-M428 PolarHBondContact OG-SD 3.5Å; N402-M428 PolarHBondContact OD1-N 2.73Å; M428-T431 HydrophobicContact CB-CG2 3.54Å; M428-T431 VanDerWaalsContact O-CG2 3.3Å; M428-T431 WeakPolarHBondContact O-CG2 3.11Å; M428-T431 PolarHBondContact O-OG1 2.85Å; M428-N492 VanDerWaalsContact C-ND2 3.33Å; M428-N492 VanDerWaalsContact O-CB 3.3Å; M428-N492 WeakPolarHBondContact O-CB 3.43Å; M428-N492 PolarHBondContact O-ND2 3.04Å
429	P	71.4	Confident	70.5	Confident	33 Å²	33	29.9 Å²	29.9	21%	0.214	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	141.1	178.8	-22.3	37.6	0	0	0	111.6	T431 N494 P495 N497	P429-T431 VanDerWaalsContact O-CG2 3.22Å; P429-T431 WeakPolarHBondContact O-CG2 3.31Å; P429-T431 PolarHBondContact O-N 2.99Å; P429-N494 VanDerWaalsContact CA-O 3.26Å; P429-N494 WeakPolarHBondContact CA-O 3.3Å; P429-N494 VanDerWaalsContact CB-O 3.25Å; P429-N494 WeakPolarHBondContact CB-O 3.08Å; P429-P495 VanDerWaalsContact CG-O 3.24Å; P429-P495 WeakPolarHBondContact CG-O 2.73Å; P429-N497 VanDerWaalsContact CD-OD1 3.27Å; P429-N497 WeakPolarHBondContact CD-OD1 3.11Å
430	Y	64.2	Low	70.8	Confident	147 Å²	147	30.8 Å²	30.8	58%	0.576	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	29.5	175.1	-49.4	-67.4	0	0	0	114.7	N492 N493 P495	Y430-N492 CarbonylContact C-O 3.54Å; Y430-N492 WeakPolarHBondContact CA-O 3.33Å; Y430-N492 PolarHBondContact N-O 2.69Å; Y430-N493 VanDerWaalsContact CE1-O 3.26Å; Y430-N493 WeakPolarHBondContact CE1-O 3.35Å; Y430-P495 HydrophobicContact CE2-CB 4.15Å; Y430-P495 WeakPolarHBondContact OH-CB 3.42Å
431	T	62.6	Low	70.6	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145	-178.3	69.8	0	0	0	0	111.5	L398 I427 M428 P429 R491 N492	L398-T431 HydrophobicContact CB-CG2 3.41Å; L398-T431 VanDerWaalsContact CB-CG2 3.41Å; L398-T431 HydrophobicContact CD1-CG2 3.95Å; L398-T431 HydrophobicContact CD2-CG2 3.84Å; L398-T431 HydrophobicContact CG-CG2 3.9Å; I427-T431 WeakPolarHBondContact CG2-OG1 3.35Å; M428-T431 HydrophobicContact CB-CG2 3.54Å; M428-T431 VanDerWaalsContact O-CG2 3.3Å; M428-T431 WeakPolarHBondContact O-CG2 3.11Å; M428-T431 PolarHBondContact O-OG1 2.85Å; P429-T431 VanDerWaalsContact O-CG2 3.22Å; P429-T431 WeakPolarHBondContact O-CG2 3.31Å; P429-T431 PolarHBondContact O-N 2.99Å; T431-R491 WeakPolarHBondContact O-CA 3.47Å; T431-N492 PolarHBondContact N-O 3.06Å; T431-N492 PolarHBondContact O-N 2.85Å
432	R	60.1	Low	70	Confident	95 Å²	95	34.1 Å²	34.1	36%	0.358	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	123	171.3	-176.4	-171.7	-171.3	-147.5	-0.9	109.3	I489 F490 R491 Y654	R432-I489 HydrophobicContact CG-CG2 3.79Å; R432-F490 VanDerWaalsContact CA-O 3.31Å; R432-F490 WeakPolarHBondContact CA-O 3.34Å; R432-R491 HydrophobicContact CB-CB 4.38Å; R432-R491 HydrophobicContact CB-CG 4.44Å; R432-R491 HydrophobicContact CG-CB 4.16Å; R432-Y654 PolarHBondContact NH2-O 2.94Å
433	A	58.2	Low	69	Low	13 Å²	13	35.2 Å²	35.2	11%	0.107	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.6	168.9	0	0	0	0	0	111.4	A399 Y435 I489 F490	A399-A433 HydrophobicContact CB-CB 4.01Å; A433-Y435 HydrophobicContact CB-CD2 4.4Å; A433-Y435 HydrophobicContact CB-CE1 4.29Å; A433-Y435 HydrophobicContact CB-CE2 3.73Å; A433-Y435 WeakPolarHBondContact O-CD2 3.22Å; A433-Y435 WeakPolarHBondContact O-CE2 3.33Å; A433-I489 WeakPolarHBondContact O-CA 3.49Å; A433-F490 PolarHBondContact N-O 2.92Å; A433-F490 PolarHBondContact O-N 3.35Å
434	A	58.9	Low	68	Low	49 Å²	49	39.8 Å²	39.8	41%	0.405	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.4	166.6	0	0	0	0	0	108.8	G488 I489 S528	A434-G488 WeakPolarHBondContact CA-O 3.34Å; A434-I489 HydrophobicContact CB-CG1 3.95Å; A434-S528 VanDerWaalsContact O-CA 3.28Å; A434-S528 WeakPolarHBondContact O-CA 3.25Å; A434-S528 WeakPolarHBondContact O-CB 3.23Å; A434-S528 PolarHBondContact O-OG 3.38Å
435	Y	65.9	Low	66.6	Low	2 Å²	2	40.9 Å²	40.9	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.2	179.7	-60.2	-91.4	0	0	0	110.7	N402 I427 A433 I487 G488 F490 M526 Y527 I533	N402-Y435 HydrophobicContact CB-CE1 4.35Å; N402-Y435 PolarHBondContact ND2-OH 3Å; I427-Y435 HydrophobicContact CD1-CD2 4.28Å; I427-Y435 HydrophobicContact CD1-CE1 4.45Å; I427-Y435 HydrophobicContact CD1-CE2 3.62Å; A433-Y435 HydrophobicContact CB-CD2 4.4Å; A433-Y435 HydrophobicContact CB-CE1 4.29Å; A433-Y435 HydrophobicContact CB-CE2 3.73Å; A433-Y435 WeakPolarHBondContact O-CD2 3.22Å; A433-Y435 WeakPolarHBondContact O-CE2 3.33Å; Y435-I487 WeakPolarHBondContact O-CG1 3.36Å; Y435-I487 PolarHBondContact O-N 2.82Å; Y435-G488 PolarHBondContact N-O 2.89Å; Y435-G488 PolarHBondContact O-N 3.19Å; Y435-F490 HydrophobicContact CD2-CB 4.15Å; Y435-F490 AromaticContact CD2-CD2 3.83Å; Y435-F490 HydrophobicContact CD2-CD2 3.83Å; Y435-F490 HydrophobicContact CD2-CG 4.41Å; Y435-F490 HydrophobicContact CE2-CB 4.02Å; Y435-M526 HydrophobicContact CD1-CE 4.11Å; Y435-M526 HydrophobicContact CD1-CG 4.12Å; Y435-M526 HydrophobicContact CD1-SD 3.72Å; Y435-M526 HydrophobicContact CE1-CE 4.2Å; Y435-M526 HydrophobicContact CE1-SD 4.34Å; Y435-M526 HydrophobicContact CG-SD 4.4Å; Y435-Y527 CarbonylContact C-O 3.59Å; Y435-Y527 WeakPolarHBondContact CA-O 3.47Å; Y435-I533 HydrophobicContact CD1-CD1 3.52Å; Y435-I533 HydrophobicContact CE1-CD1 3.45Å; Y435-I533 VanDerWaalsContact CE1-CD1 3.45Å
436	G	69.1	Low	65.5	Low	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.1	165.1	0	0	0	0	0	110.3	T485 M526 Y527	G436-T485 CarbonylContact C-O 3.55Å; G436-T485 WeakPolarHBondContact CA-O 3.28Å; G436-M526 WeakPolarHBondContact O-CA 3.25Å; G436-Y527 VanDerWaalsContact C-CE1 3.41Å; G436-Y527 PolarHBondContact N-O 2.8Å; G436-Y527 WeakPolarHBondContact O-CD1 3.3Å; G436-Y527 PolarHBondContact O-N 2.72Å
437	I	74.1	Confident	64.2	Low	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.2	174.2	-59.1	177.8	0	0	0	107.9	I404 M454 T485 I487 I524 R525	I404-I437 HydrophobicContact CD1-CD1 4.17Å; I404-I437 HydrophobicContact CD1-CG1 4.21Å; I437-M454 HydrophobicContact CB-CE 3.7Å; I437-M454 HydrophobicContact CB-SD 3.79Å; I437-M454 HydrophobicContact CD1-CE 4.21Å; I437-M454 HydrophobicContact CD1-SD 3.8Å; I437-M454 HydrophobicContact CG1-SD 4.26Å; I437-M454 HydrophobicContact CG2-CE 3.37Å; I437-M454 HydrophobicContact CG2-SD 4.14Å; I437-T485 PolarHBondContact N-O 3.31Å; I437-T485 PolarHBondContact O-N 3.34Å; I437-I487 HydrophobicContact CD1-CD1 4.21Å; I437-I487 HydrophobicContact CD1-CG2 4.07Å; I437-I487 HydrophobicContact CG1-CD1 4.22Å; I437-I487 HydrophobicContact CG1-CG2 4.1Å; I437-I524 HydrophobicContact CG2-CG2 3.55Å; I437-R525 CarbonylContact C-O 3.55Å; I437-R525 WeakPolarHBondContact CA-O 3.09Å
438	Q	79.3	Confident	63.8	Low	47 Å²	47	46.9 Å²	46.9	22%	0.22	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.2	177.4	-168.3	169.8	41.8	0	0	109.9	F440 T482 G483 T484 I524 R525 Y527	Q438-F440 HydrophobicContact CB-CE2 4.13Å; Q438-F440 VanDerWaalsContact CD-CE2 3.45Å; Q438-F440 HydrophobicContact CG-CD2 4.13Å; Q438-F440 HydrophobicContact CG-CE2 3.58Å; Q438-F440 HydrophobicContact CG-CZ 3.85Å; Q438-T482 HydrophobicContact CG-CG2 3.8Å; Q438-G483 CarbonylContact C-O 3.52Å; Q438-G483 VanDerWaalsContact CA-O 3.29Å; Q438-G483 WeakPolarHBondContact CA-O 3.47Å; Q438-T484 PolarHBondContact NE2-OG1 3.33Å; Q438-T484 VanDerWaalsContact NE2-OG1 3.13Å; Q438-I524 CarbonylContact O-C 3.51Å; Q438-I524 WeakPolarHBondContact O-CA 3.32Å; Q438-R525 HydrophobicContact CB-CB 4.5Å; Q438-R525 PolarHBondContact N-O 2.66Å; Q438-R525 PolarHBondContact O-N 3.4Å; Q438-Y527 HydrophobicContact CB-CD1 4.19Å; Q438-Y527 HydrophobicContact CB-CE1 4.02Å
439	I	78.4	Confident	64	Low	2 Å²	2	44 Å²	44	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.7	177.7	-53.8	166.5	0	0	0	106.8	T441 P451 M454 T482 G483 I504 F522 I524	I439-T441 HydrophobicContact CG2-CG2 4.17Å; I439-P451 HydrophobicContact CB-CB 4.29Å; I439-P451 HydrophobicContact CD1-CB 4.23Å; I439-P451 HydrophobicContact CG2-CB 4.3Å; I439-M454 HydrophobicContact CD1-CE 3.92Å; I439-M454 HydrophobicContact CG1-CE 4.3Å; I439-T482 VanDerWaalsContact O-CA 3.28Å; I439-T482 WeakPolarHBondContact O-CA 3.27Å; I439-T482 WeakPolarHBondContact O-CG2 3.46Å; I439-G483 PolarHBondContact N-O 2.79Å; I439-G483 PolarHBondContact O-N 2.97Å; I439-I504 HydrophobicContact CD1-CD1 4.45Å; I439-I504 HydrophobicContact CD1-CG2 3.39Å; I439-I504 HydrophobicContact CG1-CG2 4.48Å; I439-F522 HydrophobicContact CG2-CD2 3.95Å; I439-F522 HydrophobicContact CG2-CE2 4.15Å; I439-I524 HydrophobicContact CG1-CG1 4.48Å
440	F	72.6	Confident	63.9	Low	26 Å²	26	44 Å²	44	11%	0.114	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.5	173.8	-68.4	-89.7	0	0	0	109	Q438 Y442 T482 P523 R525	Q438-F440 HydrophobicContact CB-CE2 4.13Å; Q438-F440 VanDerWaalsContact CD-CE2 3.45Å; Q438-F440 HydrophobicContact CG-CD2 4.13Å; Q438-F440 HydrophobicContact CG-CE2 3.58Å; Q438-F440 HydrophobicContact CG-CZ 3.85Å; F440-Y442 HydrophobicContact CD1-CE1 4.41Å; F440-T482 HydrophobicContact CD1-CG2 4.03Å; F440-T482 HydrophobicContact CE1-CG2 4.16Å; F440-T482 HydrophobicContact CG-CG2 4.5Å; F440-P523 HydrophobicContact CB-CG 3.99Å; F440-P523 PolarHBondContact N-O 2.64Å; F440-P523 VanDerWaalsContact N-O 3.12Å; F440-P523 VanDerWaalsContact O-CD 3.29Å; F440-P523 WeakPolarHBondContact O-CD 3.23Å; F440-R525 HydrophobicContact CD2-CG 4.06Å; F440-R525 HydrophobicContact CE2-CB 4.39Å; F440-R525 HydrophobicContact CE2-CG 3.83Å; F440-R525 VanDerWaalsContact CE2-NE 3.34Å
441	T	68.3	Low	64.3	Low	1 Å²	1	37 Å²	37	1%	0.006	21%	0.207	C	C	.	.			trans	-119.6	0.1	-177.2	79.4	0	0	0	0	114.6	I439 Q448 V449 P451 A481	I439-T441 HydrophobicContact CG2-CG2 4.17Å; T441-Q448 PolarHBondContact O-N 2.93Å; T441-V449 WeakPolarHBondContact CB-O 3.39Å; T441-V449 HydrophobicContact CG2-CG2 3.6Å; T441-V449 WeakPolarHBondContact CG2-O 3.12Å; T441-V449 PolarHBondContact OG1-O 3.4Å; T441-P451 HydrophobicContact CG2-CG 3.99Å; T441-A481 PolarHBondContact N-O 3.24Å; T441-A481 WeakPolarHBondContact OG1-CA 3.48Å; T441-A481 PolarHBondContact OG1-O 3.21Å
442	Y	60.9	Low	64.4	Low	140 Å²	140	37.3 Å²	37.3	55%	0.549	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.2	168.8	95.2	-87.5	0	0	0	109.4	F440	F440-Y442 HydrophobicContact CD1-CE1 4.41Å
443	I	57.6	Low	64.7	Low	61 Å²	61	33.1 Å²	33.1	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.7	161.8	-70.9	-174.4	0	0	0	106.6	G445 K446 P523	I443-G445 VanDerWaalsContact C-N 3.28Å; I443-G445 PolarHBondContact O-N 3.15Å; I443-K446 PolarHBondContact N-O 2.97Å; I443-K446 PolarHBondContact O-N 2.83Å; I443-P523 HydrophobicContact CD1-CG 3.87Å; I443-P523 HydrophobicContact CG1-CG 4.23Å
444	A	53.3	Low	65	Low	98 Å²	98	32.5 Å²	32.5	81%	0.81	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.1	173.2	0	0	0	0	0	114.5	K446	A444-K446 PolarHBondContact O-N 3.41Å
445	G	48.9	Very low	65.2	Low	60 Å²	60	30.2 Å²	30.2	62%	0.619	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-0.6	175.1	0	0	0	0	0	115.7	I443	I443-G445 VanDerWaalsContact C-N 3.28Å; I443-G445 PolarHBondContact O-N 3.15Å
446	K	53.8	Low	65.1	Low	96 Å²	96	32.3 Å²	32.3	42%	0.417	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.8	172.2	-66	-172.3	-179.7	-173.3	0	109.9	I443 A444 Q448	I443-K446 PolarHBondContact N-O 2.97Å; I443-K446 PolarHBondContact O-N 2.83Å; A444-K446 PolarHBondContact O-N 3.41Å; K446-Q448 WeakPolarHBondContact O-CG 3.45Å
447	F	50.7	Low	65	Low	28 Å²	28	33.3 Å²	33.3	12%	0.123	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.1	169.1	-98.2	-104.1	0	0	0	108.7	Y476 A481 F509 Y511 Y514	F447-Y476 AromaticContact CD2-CD1 3.93Å; F447-Y476 HydrophobicContact CD2-CD1 3.93Å; F447-Y476 HydrophobicContact CD2-CE1 4.07Å; F447-Y476 HydrophobicContact CE1-CD1 4.06Å; F447-Y476 HydrophobicContact CE1-CG 4.44Å; F447-Y476 AromaticContact CE2-CD1 3.07Å; F447-Y476 HydrophobicContact CE2-CD1 3.07Å; F447-Y476 AromaticContact CE2-CE1 3.4Å; F447-Y476 HydrophobicContact CE2-CE1 3.4Å; F447-Y476 VanDerWaalsContact CE2-CE1 3.4Å; F447-Y476 AromaticContact CE2-CG 3.81Å; F447-Y476 HydrophobicContact CE2-CG 3.81Å; F447-Y476 VanDerWaalsContact CZ-CB 3.48Å; F447-Y476 AromaticContact CZ-CD1 3.17Å; F447-Y476 HydrophobicContact CZ-CD1 3.17Å; F447-Y476 AromaticContact CZ-CE1 4Å; F447-Y476 HydrophobicContact CZ-CE1 4Å; F447-Y476 AromaticContact CZ-CG 3.51Å; F447-Y476 HydrophobicContact CZ-CG 3.51Å; F447-A481 HydrophobicContact CE1-CB 3.43Å; F447-A481 VanDerWaalsContact CE1-CB 3.43Å; F447-A481 HydrophobicContact CZ-CB 3.56Å; F447-F509 HydrophobicContact CB-CD2 3.9Å; F447-F509 HydrophobicContact CB-CE2 4.04Å; F447-F509 HydrophobicContact CD1-CD2 4.43Å; F447-F509 AromaticContact CD1-CE2 3.71Å; F447-F509 HydrophobicContact CD1-CE2 3.71Å; F447-F509 HydrophobicContact CD1-CZ 4.4Å; F447-F509 HydrophobicContact CG-CE2 4.38Å; F447-Y511 HydrophobicContact CB-CE2 4.44Å; F447-Y514 PolarHBondContact O-OH 2.8Å
448	Q	63.5	Low	64.7	Low	24 Å²	24	35.1 Å²	35.1	11%	0.112	19%	0.193	C	C	.	.			trans	-106.7	-43.4	-166.4	-64.7	-141.7	15.3	0	0	111.8	T441 K446 F509 V520 Q521	T441-Q448 PolarHBondContact O-N 2.93Å; K446-Q448 WeakPolarHBondContact O-CG 3.45Å; Q448-F509 PolarHBondContact O-N 2.75Å; Q448-V520 HydrophobicContact CB-CG1 3.53Å; Q448-V520 HydrophobicContact CG-CG1 4.24Å; Q448-V520 VanDerWaalsContact OE1-CG1 3.24Å; Q448-Q521 VanDerWaalsContact OE1-C 3.23Å; Q448-Q521 PolarHBondContact OE1-O 2.81Å
449	V	71.5	Confident	63.8	Low	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.2	-177.3	-71	0	0	0	0	112.8	T441 V506 N507 L508 F509 V520 F522	T441-V449 WeakPolarHBondContact CB-O 3.39Å; T441-V449 HydrophobicContact CG2-CG2 3.6Å; T441-V449 WeakPolarHBondContact CG2-O 3.12Å; T441-V449 PolarHBondContact OG1-O 3.4Å; V449-V506 HydrophobicContact CB-CB 4.25Å; V449-V506 HydrophobicContact CG1-CG2 4.37Å; V449-N507 CarbonylContact C-O 3.08Å; V449-N507 WeakPolarHBondContact CA-O 2.95Å; V449-N507 WeakPolarHBondContact CB-O 3.47Å; V449-L508 HydrophobicContact CG1-CD2 3.61Å; V449-L508 HydrophobicContact CG1-CG 4.31Å; V449-F509 WeakPolarHBondContact O-CE2 3.11Å; V449-V520 HydrophobicContact CG1-CG1 4.25Å; V449-F522 HydrophobicContact CB-CD1 4.27Å; V449-F522 HydrophobicContact CB-CE1 4.49Å; V449-F522 HydrophobicContact CG1-CD1 3.64Å; V449-F522 HydrophobicContact CG1-CE1 3.74Å; V449-F522 HydrophobicContact CG1-CG 4.4Å; V449-F522 HydrophobicContact CG2-CB 3.76Å; V449-F522 HydrophobicContact CG2-CD1 3.55Å; V449-F522 HydrophobicContact CG2-CD2 3.86Å; V449-F522 HydrophobicContact CG2-CE1 4.06Å; V449-F522 HydrophobicContact CG2-CE2 4.33Å; V449-F522 HydrophobicContact CG2-CG 3.44Å; V449-F522 VanDerWaalsContact CG2-CG 3.44Å; V449-F522 HydrophobicContact CG2-CZ 4.42Å
450	E	70.2	Confident	62.8	Low	32 Å²	32	40.6 Å²	40.6	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.9	167.1	-161.9	168	-173.6	0	0	109.3	C452 R480 V506 N507 F509	E450-C452 PolarHBondContact O-N 3.46Å; E450-R480 HydrophobicContact CG-CB 3.69Å; E450-R480 HydrophobicContact CG-CG 4.31Å; E450-R480 WeakPolarHBondContact OE1-CG 3.39Å; E450-R480 PolarHBondContact OE1-N 2.53Å; E450-R480 VanDerWaalsContact OE1-N 3.13Å; E450-V506 CarbonylContact O-C 3.55Å; E450-V506 WeakPolarHBondContact O-CA 3.39Å; E450-V506 WeakPolarHBondContact O-CB 3.25Å; E450-N507 HydrophobicContact CB-CB 3.99Å; E450-N507 PolarHBondContact N-O 2.92Å; E450-N507 PolarHBondContact O-N 2.94Å; E450-F509 HydrophobicContact CB-CE1 3.65Å; E450-F509 HydrophobicContact CB-CE2 4.4Å; E450-F509 HydrophobicContact CB-CZ 3.49Å; E450-F509 VanDerWaalsContact CB-CZ 3.49Å; E450-F509 HydrophobicContact CG-CE1 4.28Å; E450-F509 HydrophobicContact CG-CZ 4.05Å
451	P	72	Confident	62.3	Low	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.6	171.4	29.1	-23.1	0	0	0	109	I439 T441 Y473 R480	I439-P451 HydrophobicContact CB-CB 4.29Å; I439-P451 HydrophobicContact CD1-CB 4.23Å; I439-P451 HydrophobicContact CG2-CB 4.3Å; T441-P451 HydrophobicContact CG2-CG 3.99Å; P451-Y473 HydrophobicContact CB-CD1 4.41Å; P451-Y473 HydrophobicContact CB-CE1 4.07Å; P451-Y473 HydrophobicContact CG-CD1 4.01Å; P451-Y473 HydrophobicContact CG-CE1 4.17Å; P451-Y473 WeakPolarHBondContact O-CE1 3.17Å; P451-R480 WeakPolarHBondContact CD-O 3.37Å; P451-R480 HydrophobicContact CG-CB 4.14Å; P451-R480 VanDerWaalsContact O-CD 3.29Å; P451-R480 WeakPolarHBondContact O-CD 3.49Å
452	C	65.9	Low	62.1	Low	9 Å²	9	55.2 Å²	55.2	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-37.1	-174.9	-66.3	0	0	0	0	112.1	W418 E450 Y473 R480 G505	W418-C452 HydrophobicContact CD2-CB 4.2Å; W418-C452 HydrophobicContact CH2-CB 4.03Å; W418-C452 HydrophobicContact CZ2-CB 3.66Å; W418-C452 HydrophobicContact CZ3-CB 4.43Å; E450-C452 PolarHBondContact O-N 3.46Å; C452-Y473 PolarHBondContact O-OH 3.41Å; C452-R480 PolarHBondContact O-NH1 2.92Å; C452-G505 WeakPolarHBondContact CA-O 3.5Å; C452-G505 WeakPolarHBondContact CB-O 3.14Å; C452-G505 PolarHBondContact N-O 3.21Å
453	S	66.5	Low	61.7	Low	6 Å²	6	51.1 Å²	51.1	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	162.7	-176.9	64.6	0	0	0	0	116.2	R468 G505	S453-R468 PolarHBondContact OG-NH1 3.34Å; S453-G505 PolarHBondContact N-O 2.94Å; S453-G505 PolarHBondContact O-N 3.03Å
454	M	63.3	Low	61.8	Low	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.7	167.9	-167.5	163.6	-74.4	0	0	110.7	I437 I439 L469 T485 I487 Q503 I504	I437-M454 HydrophobicContact CB-CE 3.7Å; I437-M454 HydrophobicContact CB-SD 3.79Å; I437-M454 HydrophobicContact CD1-CE 4.21Å; I437-M454 HydrophobicContact CD1-SD 3.8Å; I437-M454 HydrophobicContact CG1-SD 4.26Å; I437-M454 HydrophobicContact CG2-CE 3.37Å; I437-M454 HydrophobicContact CG2-SD 4.14Å; I439-M454 HydrophobicContact CD1-CE 3.92Å; I439-M454 HydrophobicContact CG1-CE 4.3Å; M454-L469 HydrophobicContact CB-CB 4.5Å; M454-L469 HydrophobicContact CG-CD1 4.28Å; M454-L469 PolarHBondContact O-N 3.27Å; M454-T485 HydrophobicContact CB-CG2 4.06Å; M454-T485 HydrophobicContact CG-CG2 4.23Å; M454-T485 VanDerWaalsContact SD-CB 3.56Å; M454-T485 HydrophobicContact SD-CG2 3.71Å; M454-I487 HydrophobicContact SD-CG2 4.15Å; M454-Q503 CarbonylContact C-O 3.54Å; M454-I504 HydrophobicContact CE-CD1 3.62Å; M454-I504 HydrophobicContact CE-CG1 3.7Å; M454-I504 HydrophobicContact CG-CG1 4.37Å
455	D	63.3	Low	61.8	Low	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.3	179.4	-70	-60.4	0	0	0	110.6	I467 R468 F502 Q503	D455-I467 CarbonylContact C-O 3.58Å; D455-I467 VanDerWaalsContact CA-O 3.28Å; D455-I467 WeakPolarHBondContact CA-O 3.42Å; D455-R468 WeakPolarHBondContact OD1-CA 3.26Å; D455-R468 IonicContact OD1-CZ 2.76Å; D455-R468 IonicContact OD1-NE 3.23Å; D455-R468 PolarHBondContact OD1-NE 2.83Å; D455-R468 IonicContact OD1-NH1 3.62Å; D455-R468 IonicContact OD1-NH2 3.29Å; D455-R468 PolarHBondContact OD1-NH2 2.93Å; D455-R468 IonicContact OD2-CZ 2.93Å; D455-R468 IonicContact OD2-NE 2.89Å; D455-R468 IonicContact OD2-NH1 3.12Å; D455-R468 PolarHBondContact OD2-NH1 2.74Å; D455-R468 VanDerWaalsContact OD2-NH1 3.12Å; D455-R468 IonicContact OD2-NH2 3.32Å; D455-R468 PolarHBondContact OD2-NH2 3.19Å; D455-F502 CarbonylContact O-C 3.59Å; D455-F502 WeakPolarHBondContact O-CA 3.11Å; D455-F502 VanDerWaalsContact O-CB 3.29Å; D455-F502 WeakPolarHBondContact O-CB 3Å; D455-Q503 HydrophobicContact CB-CB 4.15Å; D455-Q503 PolarHBondContact N-O 2.97Å; D455-Q503 PolarHBondContact O-N 2.87Å
456	Y	64.4	Low	62	Low	47 Å²	47	54.1 Å²	54.1	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.7	162.2	174.1	-129.7	0	0	0	109.5	L458 K466 I467 Y500 N501 F502	Y456-L458 HydrophobicContact CD1-CB 4.11Å; Y456-L458 HydrophobicContact CE1-CB 3.71Å; Y456-L458 HydrophobicContact CE1-CD1 3.87Å; Y456-L458 HydrophobicContact CE1-CG 4.29Å; Y456-L458 PolarHBondContact O-N 3.02Å; Y456-K466 CarbonylContact O-C 3.56Å; Y456-K466 WeakPolarHBondContact O-CA 3.01Å; Y456-I467 HydrophobicContact CD1-CD1 4.03Å; Y456-I467 PolarHBondContact N-O 2.75Å; Y456-I467 PolarHBondContact O-N 2.71Å; Y456-Y500 AromaticContact CE2-CD1 3.92Å; Y456-Y500 HydrophobicContact CE2-CD1 3.92Å; Y456-Y500 HydrophobicContact CE2-CG 4.49Å; Y456-Y500 AromaticContact CZ-CD1 3.97Å; Y456-Y500 WeakPolarHBondContact OH-CD1 3.08Å; Y456-N501 WeakPolarHBondContact CD2-O 3.38Å; Y456-F502 HydrophobicContact CD2-CD1 4.07Å; Y456-F502 AromaticContact CD2-CE1 3.72Å; Y456-F502 HydrophobicContact CD2-CE1 3.72Å; Y456-F502 AromaticContact CD2-CZ 3.98Å; Y456-F502 HydrophobicContact CD2-CZ 3.98Å; Y456-F502 HydrophobicContact CG-CD1 4.47Å; Y456-F502 HydrophobicContact CG-CE1 4.11Å
457	L	67.3	Low	61.7	Low	21 Å²	21	50.9 Å²	50.9	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	89.9	177.9	-55.3	-179.5	0	0	0	108.4	T464 K465 K466 N501 Q503	L457-T464 HydrophobicContact CB-CG2 3.94Å; L457-K465 CarbonylContact C-O 3.56Å; L457-K466 HydrophobicContact CD2-CB 4.4Å; L457-K466 HydrophobicContact CD2-CD 4.03Å; L457-K466 HydrophobicContact CD2-CG 3.64Å; L457-N501 HydrophobicContact CB-CB 4.08Å; L457-N501 WeakPolarHBondContact CB-O 3.36Å; L457-N501 HydrophobicContact CD1-CB 4.22Å; L457-N501 PolarHBondContact N-O 2.76Å; L457-Q503 HydrophobicContact CD1-CB 4.19Å; L457-Q503 HydrophobicContact CD2-CB 3.99Å; L457-Q503 HydrophobicContact CG-CB 4.21Å
458	L	66.1	Low	61.9	Low	37 Å²	37	50.6 Å²	50.6	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.5	178.4	176.3	62.1	0	0	0	109.7	Y456 E460 T464 K465 I467	Y456-L458 HydrophobicContact CD1-CB 4.11Å; Y456-L458 HydrophobicContact CE1-CB 3.71Å; Y456-L458 HydrophobicContact CE1-CD1 3.87Å; Y456-L458 HydrophobicContact CE1-CG 4.29Å; Y456-L458 PolarHBondContact O-N 3.02Å; L458-E460 HydrophobicContact CD1-CG 4.22Å; L458-E460 HydrophobicContact CD2-CG 4.15Å; L458-E460 HydrophobicContact CG-CG 4Å; L458-T464 CarbonylContact O-C 3.41Å; L458-T464 WeakPolarHBondContact O-CA 3.49Å; L458-K465 PolarHBondContact N-O 2.82Å; L458-K465 PolarHBondContact O-N 3.43Å; L458-I467 HydrophobicContact CB-CD1 3.84Å; L458-I467 HydrophobicContact CB-CG1 4.49Å; L458-I467 HydrophobicContact CD2-CD1 3.72Å; L458-I467 HydrophobicContact CG-CD1 4.43Å
459	T	61.4	Low	61.3	Low	82 Å²	82	51 Å²	51	50%	0.503	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.3	173.8	-51.3	0	0	0	0	110	S463 T464	T459-S463 CarbonylContact C-O 3.54Å; T459-S463 WeakPolarHBondContact CA-O 3.04Å; T459-T464 PolarHBondContact OG1-OG1 3.31Å
460	E	58.2	Low	60.3	Low	83 Å²	83	55.4 Å²	55.4	39%	0.388	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.1	176.1	-79.1	179.5	160.6	0	0	109.7	L458 N462 S463 K465	L458-E460 HydrophobicContact CD1-CG 4.22Å; L458-E460 HydrophobicContact CD2-CG 4.15Å; L458-E460 HydrophobicContact CG-CG 4Å; E460-N462 VanDerWaalsContact C-N 3.3Å; E460-N462 PolarHBondContact O-N 2.88Å; E460-S463 PolarHBondContact N-O 3.49Å; E460-S463 WeakPolarHBondContact O-CA 3.31Å; E460-S463 PolarHBondContact O-N 2.8Å; E460-S463 PolarHBondContact O-OG 3.32Å; E460-K465 IonicContact OE2-NZ 3.07Å; E460-K465 PolarHBondContact OE2-NZ 3.42Å
461	N	61	Low	59.5	Low	164 Å²	164	54.6 Å²	54.6	88%	0.877	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.3	175.7	-60.9	-22.4	0	0	0	113.7	S463	N461-S463 PolarHBondContact O-N 3.2Å
462	N	63.8	Low	58.6	Low	170 Å²	170	58.9 Å²	58.9	91%	0.909	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	9.5	-174.9	-68.7	-18.6	0	0	0	115.8	E460	E460-N462 VanDerWaalsContact C-N 3.3Å; E460-N462 PolarHBondContact O-N 2.88Å
463	S	53.8	Low	58.2	Low	53 Å²	53	61.9 Å²	61.9	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.6	171.8	72.4	0	0	0	0	109.9	T459 E460 N461	T459-S463 CarbonylContact C-O 3.54Å; T459-S463 WeakPolarHBondContact CA-O 3.04Å; E460-S463 PolarHBondContact N-O 3.49Å; E460-S463 WeakPolarHBondContact O-CA 3.31Å; E460-S463 PolarHBondContact O-N 2.8Å; E460-S463 PolarHBondContact O-OG 3.32Å; N461-S463 PolarHBondContact O-N 3.2Å
464	T	59.7	Low	57.6	Low	87 Å²	87	65.3 Å²	65.3	53%	0.534	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.8	172.7	-60.3	0	0	0	0	109.2	L457 L458 T459	L457-T464 HydrophobicContact CB-CG2 3.94Å; L458-T464 CarbonylContact O-C 3.41Å; L458-T464 WeakPolarHBondContact O-CA 3.49Å; T459-T464 PolarHBondContact OG1-OG1 3.31Å
465	K	52.4	Low	56.9	Low	105 Å²	105	70 Å²	70	46%	0.457	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.7	173.3	-62.7	175	-172.8	161.1	0	109	L457 L458 E460	L457-K465 CarbonylContact C-O 3.56Å; L458-K465 PolarHBondContact N-O 2.82Å; L458-K465 PolarHBondContact O-N 3.43Å; E460-K465 IonicContact OE2-NZ 3.07Å; E460-K465 PolarHBondContact OE2-NZ 3.42Å
466	K	52.4	Low	56.4	Low	90 Å²	90	75.9 Å²	75.9	39%	0.391	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.6	171.8	-58.3	-165.6	-179.5	175.6	0	108.2	Y456 L457 D589	Y456-K466 CarbonylContact O-C 3.56Å; Y456-K466 WeakPolarHBondContact O-CA 3.01Å; L457-K466 HydrophobicContact CD2-CB 4.4Å; L457-K466 HydrophobicContact CD2-CD 4.03Å; L457-K466 HydrophobicContact CD2-CG 3.64Å; K466-D589 WeakPolarHBondContact O-CB 3.4Å
467	I	47.9	Very low	56	Low	29 Å²	29	81 Å²	81	15%	0.149	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.3	176.8	-60	175.1	0	0	0	106.8	D455 Y456 L458 L469 V591	D455-I467 CarbonylContact C-O 3.58Å; D455-I467 VanDerWaalsContact CA-O 3.28Å; D455-I467 WeakPolarHBondContact CA-O 3.42Å; Y456-I467 HydrophobicContact CD1-CD1 4.03Å; Y456-I467 PolarHBondContact N-O 2.75Å; Y456-I467 PolarHBondContact O-N 2.71Å; L458-I467 HydrophobicContact CB-CD1 3.84Å; L458-I467 HydrophobicContact CB-CG1 4.49Å; L458-I467 HydrophobicContact CD2-CD1 3.72Å; L458-I467 HydrophobicContact CG-CD1 4.43Å; I467-L469 HydrophobicContact CG2-CD2 4.48Å; I467-L469 PolarHBondContact O-N 2.82Å; I467-V591 HydrophobicContact CD1-CG2 4.46Å; I467-V591 HydrophobicContact CG1-CG2 4.41Å
468	R	54.4	Low	55.1	Low	22 Å²	22	83.4 Å²	83.4	8%	0.083	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.6	178.7	-169.5	66.1	40.9	174.4	-14.5	109.4	S453 D455 K588 D589	S453-R468 PolarHBondContact OG-NH1 3.34Å; D455-R468 WeakPolarHBondContact OD1-CA 3.26Å; D455-R468 IonicContact OD1-CZ 2.76Å; D455-R468 IonicContact OD1-NE 3.23Å; D455-R468 PolarHBondContact OD1-NE 2.83Å; D455-R468 IonicContact OD1-NH1 3.62Å; D455-R468 IonicContact OD1-NH2 3.29Å; D455-R468 PolarHBondContact OD1-NH2 2.93Å; D455-R468 IonicContact OD2-CZ 2.93Å; D455-R468 IonicContact OD2-NE 2.89Å; D455-R468 IonicContact OD2-NH1 3.12Å; D455-R468 PolarHBondContact OD2-NH1 2.74Å; D455-R468 VanDerWaalsContact OD2-NH1 3.12Å; D455-R468 IonicContact OD2-NH2 3.32Å; D455-R468 PolarHBondContact OD2-NH2 3.19Å; R468-K588 HydrophobicContact CB-CB 3.73Å; R468-K588 VanDerWaalsContact CB-O 3.3Å; R468-K588 WeakPolarHBondContact CB-O 3.47Å; R468-K588 HydrophobicContact CG-CB 3.96Å; R468-K588 VanDerWaalsContact CZ-CB 3.47Å; R468-K588 VanDerWaalsContact NH2-CE 3.29Å; R468-D589 VanDerWaalsContact CB-O 3.3Å; R468-D589 WeakPolarHBondContact CB-O 3.41Å; R468-D589 PolarHBondContact N-O 2.83Å
469	L	52.4	Low	54.6	Low	31 Å²	31	86.3 Å²	86.3	16%	0.162	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.7	175.2	-55	-178.1	0	0	0	110.5	M454 I467 T471 T485 I487 F502	M454-L469 HydrophobicContact CB-CB 4.5Å; M454-L469 HydrophobicContact CG-CD1 4.28Å; M454-L469 PolarHBondContact O-N 3.27Å; I467-L469 HydrophobicContact CG2-CD2 4.48Å; I467-L469 PolarHBondContact O-N 2.82Å; L469-T471 PolarHBondContact O-N 3.18Å; L469-T471 PolarHBondContact O-OG1 3.04Å; L469-T485 HydrophobicContact CB-CG2 3.42Å; L469-T485 VanDerWaalsContact CB-CG2 3.42Å; L469-T485 HydrophobicContact CD1-CG2 4.07Å; L469-T485 HydrophobicContact CG-CG2 4.4Å; L469-I487 HydrophobicContact CD1-CB 4.17Å; L469-I487 HydrophobicContact CD1-CG2 3.62Å; L469-F502 HydrophobicContact CD1-CD1 4Å; L469-F502 HydrophobicContact CD1-CE1 3.89Å
470	I	49	Very low	54.5	Low	94 Å²	94	86.4 Å²	86.4	48%	0.482	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-70.2	122.4	175.5	-59.7	178.1	0	0	0	108.2	T485 F590	I470-T485 WeakPolarHBondContact O-CG2 3.43Å; I470-F590 HydrophobicContact CD1-CE1 4.27Å; I470-F590 HydrophobicContact CG1-CD1 4.34Å; I470-F590 HydrophobicContact CG1-CE1 3.52Å; I470-F590 HydrophobicContact CG1-CZ 4.22Å
471	T	55.1	Low	54.7	Low	15 Å²	15	82.7 Å²	82.7	9%	0.092	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.1	178	-53.3	0	0	0	0	108.1	L469 Y473 T484 T485	L469-T471 PolarHBondContact O-N 3.18Å; L469-T471 PolarHBondContact O-OG1 3.04Å; T471-Y473 WeakPolarHBondContact CB-OH 3.41Å; T471-Y473 HydrophobicContact CG2-CD1 3.97Å; T471-Y473 HydrophobicContact CG2-CE1 3.37Å; T471-Y473 HydrophobicContact CG2-CE2 4.26Å; T471-Y473 WeakPolarHBondContact O-CD2 3.13Å; T471-Y473 WeakPolarHBondContact O-CE2 3.4Å; T471-T484 CarbonylContact C-O 3.56Å; T471-T484 WeakPolarHBondContact CA-O 3.45Å; T471-T485 WeakPolarHBondContact CB-OG1 3.02Å; T471-T485 VanDerWaalsContact CG2-OG1 3.25Å; T471-T485 WeakPolarHBondContact CG2-OG1 3.39Å; T471-T485 PolarHBondContact OG1-OG1 3.23Å
472	E	52.7	Low	55.1	Low	90 Å²	90	75.7 Å²	75.7	42%	0.421	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.8	170.8	-63.2	-173.4	160.4	0	0	109	G483 T484	E472-G483 CarbonylContact O-C 3.58Å; E472-G483 WeakPolarHBondContact O-CA 3.47Å; E472-T484 PolarHBondContact N-O 2.73Å; E472-T484 PolarHBondContact O-N 2.79Å
473	Y	56.1	Low	55.3	Low	72 Å²	72	67.6 Å²	67.6	28%	0.282	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.1	-178.9	-57.2	-75	0	0	0	111	P451 C452 T471 R480 T482	P451-Y473 HydrophobicContact CB-CD1 4.41Å; P451-Y473 HydrophobicContact CB-CE1 4.07Å; P451-Y473 HydrophobicContact CG-CD1 4.01Å; P451-Y473 HydrophobicContact CG-CE1 4.17Å; P451-Y473 WeakPolarHBondContact O-CE1 3.17Å; C452-Y473 PolarHBondContact O-OH 3.41Å; T471-Y473 WeakPolarHBondContact CB-OH 3.41Å; T471-Y473 HydrophobicContact CG2-CD1 3.97Å; T471-Y473 HydrophobicContact CG2-CE1 3.37Å; T471-Y473 HydrophobicContact CG2-CE2 4.26Å; T471-Y473 WeakPolarHBondContact O-CD2 3.13Å; T471-Y473 WeakPolarHBondContact O-CE2 3.4Å; Y473-R480 HydrophobicContact CD1-CB 4.19Å; Y473-R480 HydrophobicContact CD1-CG 4.26Å; Y473-R480 HydrophobicContact CG-CB 4.4Å; Y473-R480 HydrophobicContact CG-CG 4.07Å; Y473-T482 CarbonylContact C-O 3.55Å; Y473-T482 VanDerWaalsContact CA-O 3.25Å; Y473-T482 WeakPolarHBondContact CA-O 3.45Å
474	T	54.7	Low	55.9	Low	78 Å²	78	66.4 Å²	66.4	48%	0.479	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	141	160.1	60.7	0	0	0	0	108.8	A481 T482	T474-A481 PolarHBondContact O-N 3.25Å; T474-T482 PolarHBondContact N-O 3.27Å; T474-T482 VanDerWaalsContact OG1-CB 3.28Å; T474-T482 WeakPolarHBondContact OG1-CB 3.15Å; T474-T482 PolarHBondContact OG1-N 2.84Å
475	V	49.2	Very low	56.1	Low	101 Å²	101	62.2 Å²	62.2	61%	0.612	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	135.6	178.7	-178.6	0	0	0	0	109.3	R479	V475-R479 CarbonylContact C-O 3.53Å; V475-R479 WeakPolarHBondContact CA-O 3.49Å; V475-R479 WeakPolarHBondContact CG1-O 3.39Å
476	Y	53.1	Low	56.6	Low	123 Å²	123	61.8 Å²	61.8	48%	0.482	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.6	171.8	-175.7	-95.8	0	0	0	108.7	F447 G478 R479	F447-Y476 AromaticContact CD2-CD1 3.93Å; F447-Y476 HydrophobicContact CD2-CD1 3.93Å; F447-Y476 HydrophobicContact CD2-CE1 4.07Å; F447-Y476 HydrophobicContact CE1-CD1 4.06Å; F447-Y476 HydrophobicContact CE1-CG 4.44Å; F447-Y476 AromaticContact CE2-CD1 3.07Å; F447-Y476 HydrophobicContact CE2-CD1 3.07Å; F447-Y476 AromaticContact CE2-CE1 3.4Å; F447-Y476 HydrophobicContact CE2-CE1 3.4Å; F447-Y476 VanDerWaalsContact CE2-CE1 3.4Å; F447-Y476 AromaticContact CE2-CG 3.81Å; F447-Y476 HydrophobicContact CE2-CG 3.81Å; F447-Y476 VanDerWaalsContact CZ-CB 3.48Å; F447-Y476 AromaticContact CZ-CD1 3.17Å; F447-Y476 HydrophobicContact CZ-CD1 3.17Å; F447-Y476 AromaticContact CZ-CE1 4Å; F447-Y476 HydrophobicContact CZ-CE1 4Å; F447-Y476 AromaticContact CZ-CG 3.51Å; F447-Y476 HydrophobicContact CZ-CG 3.51Å; Y476-G478 PolarHBondContact O-N 2.92Å; Y476-R479 PolarHBondContact N-O 3.49Å; Y476-R479 PolarHBondContact O-N 2.79Å; Y476-R479 VanDerWaalsContact O-O 3.08Å
477	Q	54.4	Low	57	Low	155 Å²	155	58.3 Å²	58.3	72%	0.724	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	38.6	-176	-65.6	-179	-14.5	0	0	113.6	R479	Q477-R479 VanDerWaalsContact C-N 3.27Å; Q477-R479 PolarHBondContact O-N 2.96Å
478	G	49.4	Very low	57.4	Low	71 Å²	71	58.2 Å²	58.2	73%	0.732	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-1.6	178.4	0	0	0	0	0	115.6	Y476	Y476-G478 PolarHBondContact O-N 2.92Å
479	R	54.9	Low	57.5	Low	97 Å²	97	60.4 Å²	60.4	37%	0.366	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158.9	177.1	-60.5	-154.8	-176.3	-162.8	12.5	112.3	E416 V475 Y476 Q477 A481 F509	E416-R479 IonicContact OE1-CZ 3.73Å; E416-R479 IonicContact OE1-NH1 3.54Å; E416-R479 PolarHBondContact OE1-NH1 3.08Å; E416-R479 VanDerWaalsContact OE1-NH1 3.1Å; E416-R479 IonicContact OE1-NH2 2.74Å; E416-R479 PolarHBondContact OE1-NH2 2.64Å; E416-R479 IonicContact OE2-CZ 2.63Å; E416-R479 IonicContact OE2-NH1 3.83Å; E416-R479 PolarHBondContact OE2-NH1 2.59Å; E416-R479 IonicContact OE2-NH2 2.69Å; V475-R479 CarbonylContact C-O 3.53Å; V475-R479 WeakPolarHBondContact CA-O 3.49Å; V475-R479 WeakPolarHBondContact CG1-O 3.39Å; Y476-R479 PolarHBondContact N-O 3.49Å; Y476-R479 PolarHBondContact O-N 2.79Å; Y476-R479 VanDerWaalsContact O-O 3.08Å; Q477-R479 VanDerWaalsContact C-N 3.27Å; Q477-R479 PolarHBondContact O-N 2.96Å; R479-A481 PolarHBondContact O-N 2.8Å; R479-F509 HydrophobicContact CB-CE1 4.19Å; R479-F509 HydrophobicContact CB-CZ 4.14Å; R479-F509 HydrophobicContact CG-CE1 4.37Å; R479-F509 VanDerWaalsContact NH1-CD1 3.31Å
480	R	59.7	Low	57.9	Low	84 Å²	84	60 Å²	60	32%	0.317	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.1	-179.4	-56.8	167.7	-173.4	-178.2	3.7	110.7	E450 P451 C452 Y473	E450-R480 HydrophobicContact CG-CB 3.69Å; E450-R480 HydrophobicContact CG-CG 4.31Å; E450-R480 WeakPolarHBondContact OE1-CG 3.39Å; E450-R480 PolarHBondContact OE1-N 2.53Å; E450-R480 VanDerWaalsContact OE1-N 3.13Å; P451-R480 WeakPolarHBondContact CD-O 3.37Å; P451-R480 HydrophobicContact CG-CB 4.14Å; P451-R480 VanDerWaalsContact O-CD 3.29Å; P451-R480 WeakPolarHBondContact O-CD 3.49Å; C452-R480 PolarHBondContact O-NH1 2.92Å; Y473-R480 HydrophobicContact CD1-CB 4.19Å; Y473-R480 HydrophobicContact CD1-CG 4.26Å; Y473-R480 HydrophobicContact CG-CB 4.4Å; Y473-R480 HydrophobicContact CG-CG 4.07Å
481	A	62.2	Low	58.5	Low	6 Å²	6	58.5 Å²	58.5	5%	0.05	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-27.9	-169.8	0	0	0	0	0	114.9	T441 F447 T474 R479	T441-A481 PolarHBondContact N-O 3.24Å; T441-A481 WeakPolarHBondContact OG1-CA 3.48Å; T441-A481 PolarHBondContact OG1-O 3.21Å; F447-A481 HydrophobicContact CE1-CB 3.43Å; F447-A481 VanDerWaalsContact CE1-CB 3.43Å; F447-A481 HydrophobicContact CZ-CB 3.56Å; T474-A481 PolarHBondContact O-N 3.25Å; R479-A481 PolarHBondContact O-N 2.8Å
482	T	70.1	Confident	59	Low	16 Å²	16	57.9 Å²	57.9	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	135.7	173.2	-58.9	0	0	0	0	106.8	Q438 I439 F440 Y473 T474	Q438-T482 HydrophobicContact CG-CG2 3.8Å; I439-T482 VanDerWaalsContact O-CA 3.28Å; I439-T482 WeakPolarHBondContact O-CA 3.27Å; I439-T482 WeakPolarHBondContact O-CG2 3.46Å; F440-T482 HydrophobicContact CD1-CG2 4.03Å; F440-T482 HydrophobicContact CE1-CG2 4.16Å; F440-T482 HydrophobicContact CG-CG2 4.5Å; Y473-T482 CarbonylContact C-O 3.55Å; Y473-T482 VanDerWaalsContact CA-O 3.25Å; Y473-T482 WeakPolarHBondContact CA-O 3.45Å; T474-T482 PolarHBondContact N-O 3.27Å; T474-T482 VanDerWaalsContact OG1-CB 3.28Å; T474-T482 WeakPolarHBondContact OG1-CB 3.15Å; T474-T482 PolarHBondContact OG1-N 2.84Å
483	G	68.1	Low	59.7	Low	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.1	175.1	0	0	0	0	0	109.5	Q438 I439 E472	Q438-G483 CarbonylContact C-O 3.52Å; Q438-G483 VanDerWaalsContact CA-O 3.29Å; Q438-G483 WeakPolarHBondContact CA-O 3.47Å; I439-G483 PolarHBondContact N-O 2.79Å; I439-G483 PolarHBondContact O-N 2.97Å; E472-G483 CarbonylContact O-C 3.58Å; E472-G483 WeakPolarHBondContact O-CA 3.47Å
484	T	65.5	Low	60.4	Low	28 Å²	28	58 Å²	58	17%	0.172	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.4	179.7	-53.4	0	0	0	0	109.3	Q438 T471 E472 Y527	Q438-T484 PolarHBondContact NE2-OG1 3.33Å; Q438-T484 VanDerWaalsContact NE2-OG1 3.13Å; T471-T484 CarbonylContact C-O 3.56Å; T471-T484 WeakPolarHBondContact CA-O 3.45Å; E472-T484 PolarHBondContact N-O 2.73Å; E472-T484 PolarHBondContact O-N 2.79Å; T484-Y527 HydrophobicContact CG2-CE1 3.91Å; T484-Y527 WeakPolarHBondContact CG2-OH 3.13Å
485	T	64.1	Low	61.3	Low	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.1	-176.5	-46.3	0	0	0	0	109.2	G436 I437 M454 L469 I470 T471 I487	G436-T485 CarbonylContact C-O 3.55Å; G436-T485 WeakPolarHBondContact CA-O 3.28Å; I437-T485 PolarHBondContact N-O 3.31Å; I437-T485 PolarHBondContact O-N 3.34Å; M454-T485 HydrophobicContact CB-CG2 4.06Å; M454-T485 HydrophobicContact CG-CG2 4.23Å; M454-T485 VanDerWaalsContact SD-CB 3.56Å; M454-T485 HydrophobicContact SD-CG2 3.71Å; L469-T485 HydrophobicContact CB-CG2 3.42Å; L469-T485 VanDerWaalsContact CB-CG2 3.42Å; L469-T485 HydrophobicContact CD1-CG2 4.07Å; L469-T485 HydrophobicContact CG-CG2 4.4Å; I470-T485 WeakPolarHBondContact O-CG2 3.43Å; T471-T485 WeakPolarHBondContact CB-OG1 3.02Å; T471-T485 VanDerWaalsContact CG2-OG1 3.25Å; T471-T485 WeakPolarHBondContact CG2-OG1 3.39Å; T471-T485 PolarHBondContact OG1-OG1 3.23Å; T485-I487 HydrophobicContact CG2-CG2 4.1Å; T485-I487 PolarHBondContact O-N 3.29Å
486	L	62.8	Low	62.4	Low	95 Å²	95	60.6 Å²	60.6	50%	0.497	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	114.6	166.7	-81.6	157.4	0	0	0	108.2
487	I	61.4	Low	63.4	Low	18 Å²	18	58.4 Å²	58.4	9%	0.092	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-17.6	-175.1	59	163.9	0	0	0	112.8	L425 Y435 I437 M454 L469 T485 F490 F502	L425-I487 HydrophobicContact CD2-CD1 3.61Å; Y435-I487 WeakPolarHBondContact O-CG1 3.36Å; Y435-I487 PolarHBondContact O-N 2.82Å; I437-I487 HydrophobicContact CD1-CD1 4.21Å; I437-I487 HydrophobicContact CD1-CG2 4.07Å; I437-I487 HydrophobicContact CG1-CD1 4.22Å; I437-I487 HydrophobicContact CG1-CG2 4.1Å; M454-I487 HydrophobicContact SD-CG2 4.15Å; L469-I487 HydrophobicContact CD1-CB 4.17Å; L469-I487 HydrophobicContact CD1-CG2 3.62Å; T485-I487 HydrophobicContact CG2-CG2 4.1Å; T485-I487 PolarHBondContact O-N 3.29Å; I487-F490 HydrophobicContact CB-CE2 4.05Å; I487-F490 HydrophobicContact CB-CZ 4.48Å; I487-F490 HydrophobicContact CD1-CD2 4.28Å; I487-F490 HydrophobicContact CD1-CE2 3.59Å; I487-F490 HydrophobicContact CD1-CZ 4.21Å; I487-F490 HydrophobicContact CG1-CD2 4.48Å; I487-F490 HydrophobicContact CG1-CE2 3.67Å; I487-F490 HydrophobicContact CG1-CZ 4.47Å; I487-F502 HydrophobicContact CB-CE1 4.24Å; I487-F502 HydrophobicContact CB-CZ 4.46Å; I487-F502 HydrophobicContact CD1-CE1 4.41Å; I487-F502 HydrophobicContact CD1-CE2 4.4Å; I487-F502 HydrophobicContact CD1-CZ 3.88Å; I487-F502 HydrophobicContact CG2-CE1 4.17Å
488	G	56.2	Low	64.4	Low	26 Å²	26	52.5 Å²	52.5	27%	0.268	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.8	-169.5	173.3	0	0	0	0	0	114.1	A434 Y435	A434-G488 WeakPolarHBondContact CA-O 3.34Å; Y435-G488 PolarHBondContact N-O 2.89Å; Y435-G488 PolarHBondContact O-N 3.19Å
489	I	55.9	Low	65.8	Low	69 Å²	69	51.5 Å²	51.5	35%	0.354	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117	179.2	-59.1	173.1	0	0	0	109.1	R432 A433 A434 I658	R432-I489 HydrophobicContact CG-CG2 3.79Å; A433-I489 WeakPolarHBondContact O-CA 3.49Å; A434-I489 HydrophobicContact CB-CG1 3.95Å; I489-I658 HydrophobicContact CD1-CD1 3.75Å; I489-I658 HydrophobicContact CD1-CG1 4.04Å; I489-I658 HydrophobicContact CG1-CD1 3.96Å
490	F	60.4	Low	66.8	Low	22 Å²	22	48.8 Å²	48.8	10%	0.096	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.5	174.3	-66.9	-93.3	0	0	0	108.8	I427 R432 A433 Y435 I487 Y500 F502	I427-F490 HydrophobicContact CD1-CB 3.97Å; I427-F490 HydrophobicContact CD1-CG 4.49Å; I427-F490 HydrophobicContact CG1-CB 3.94Å; I427-F490 HydrophobicContact CG1-CG 4.46Å; R432-F490 VanDerWaalsContact CA-O 3.31Å; R432-F490 WeakPolarHBondContact CA-O 3.34Å; A433-F490 PolarHBondContact N-O 2.92Å; A433-F490 PolarHBondContact O-N 3.35Å; Y435-F490 HydrophobicContact CD2-CB 4.15Å; Y435-F490 AromaticContact CD2-CD2 3.83Å; Y435-F490 HydrophobicContact CD2-CD2 3.83Å; Y435-F490 HydrophobicContact CD2-CG 4.41Å; Y435-F490 HydrophobicContact CE2-CB 4.02Å; I487-F490 HydrophobicContact CB-CE2 4.05Å; I487-F490 HydrophobicContact CB-CZ 4.48Å; I487-F490 HydrophobicContact CD1-CD2 4.28Å; I487-F490 HydrophobicContact CD1-CE2 3.59Å; I487-F490 HydrophobicContact CD1-CZ 4.21Å; I487-F490 HydrophobicContact CG1-CD2 4.48Å; I487-F490 HydrophobicContact CG1-CE2 3.67Å; I487-F490 HydrophobicContact CG1-CZ 4.47Å; F490-Y500 HydrophobicContact CB-CE2 4.48Å; F490-Y500 AromaticContact CD1-CD1 3.71Å; F490-Y500 HydrophobicContact CD1-CD1 3.71Å; F490-Y500 AromaticContact CD1-CD2 3.62Å; F490-Y500 HydrophobicContact CD1-CD2 3.62Å; F490-Y500 AromaticContact CD1-CE1 3.64Å; F490-Y500 HydrophobicContact CD1-CE1 3.64Å; F490-Y500 AromaticContact CD1-CE2 3.55Å; F490-Y500 HydrophobicContact CD1-CE2 3.55Å; F490-Y500 AromaticContact CD1-CG 3.69Å; F490-Y500 HydrophobicContact CD1-CG 3.69Å; F490-Y500 AromaticContact CD1-CZ 3.56Å; F490-Y500 AromaticContact CE1-CD1 3.44Å; F490-Y500 HydrophobicContact CE1-CD1 3.44Å; F490-Y500 VanDerWaalsContact CE1-CD1 3.44Å; F490-Y500 HydrophobicContact CE1-CD2 4.01Å; F490-Y500 AromaticContact CE1-CE1 3.76Å; F490-Y500 HydrophobicContact CE1-CE1 3.76Å; F490-Y500 HydrophobicContact CE1-CE2 4.28Å; F490-Y500 AromaticContact CE1-CG 3.58Å; F490-Y500 HydrophobicContact CE1-CG 3.58Å; F490-Y500 HydrophobicContact CG-CE2 4.4Å; F490-F502 HydrophobicContact CE1-CZ 4.33Å; F490-F502 HydrophobicContact CE2-CZ 4.5Å; F490-F502 HydrophobicContact CZ-CE1 4.48Å; F490-F502 AromaticContact CZ-CZ 3.77Å; F490-F502 HydrophobicContact CZ-CZ 3.77Å
491	R	61.4	Low	67.8	Low	63 Å²	63	46.8 Å²	46.8	24%	0.238	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.2	174.3	175.5	-177.2	-93.9	-163.1	-5.2	108.2	I391 T431 R432 N493	I391-R491 PolarHBondContact O-NH1 3.02Å; I391-R491 PolarHBondContact O-NH2 3.03Å; T431-R491 WeakPolarHBondContact O-CA 3.47Å; R432-R491 HydrophobicContact CB-CB 4.38Å; R432-R491 HydrophobicContact CB-CG 4.44Å; R432-R491 HydrophobicContact CG-CB 4.16Å; R491-N493 VanDerWaalsContact CD-OD1 3.23Å; R491-N493 WeakPolarHBondContact CD-OD1 3.48Å; R491-N493 VanDerWaalsContact CG-OD1 3.23Å; R491-N493 WeakPolarHBondContact CG-OD1 3.5Å
492	N	66.7	Low	68.5	Low	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.4	169.1	-179.6	10.6	0	0	0	109.2	I427 M428 Y430 T431 N494 W496 V498	I427-N492 HydrophobicContact CB-CB 4.36Å; I427-N492 HydrophobicContact CG2-CB 3.64Å; I427-N492 PolarHBondContact O-ND2 3.38Å; M428-N492 VanDerWaalsContact C-ND2 3.33Å; M428-N492 VanDerWaalsContact O-CB 3.3Å; M428-N492 WeakPolarHBondContact O-CB 3.43Å; M428-N492 PolarHBondContact O-ND2 3.04Å; Y430-N492 CarbonylContact C-O 3.54Å; Y430-N492 WeakPolarHBondContact CA-O 3.33Å; Y430-N492 PolarHBondContact N-O 2.69Å; T431-N492 PolarHBondContact N-O 3.06Å; T431-N492 PolarHBondContact O-N 2.85Å; N492-N494 VanDerWaalsContact OD1-CB 3.31Å; N492-N494 WeakPolarHBondContact OD1-CB 3.4Å; N492-N494 PolarHBondContact OD1-N 3Å; N492-N494 PolarHBondContact OD1-ND2 3.35Å; N492-W496 PolarHBondContact ND2-O 3.24Å; N492-V498 HydrophobicContact CB-CB 4.44Å; N492-V498 HydrophobicContact CB-CG2 4.3Å; N492-V498 VanDerWaalsContact CG-CG2 3.44Å; N492-V498 PolarHBondContact ND2-N 3.21Å; N492-V498 WeakPolarHBondContact OD1-CG2 3.35Å
493	N	67.3	Low	68.8	Low	103 Å²	103	46.7 Å²	46.7	55%	0.551	24%	0.244	S	C	*	.			trans	-91.6	-2.9	175.8	-70.7	-17.9	0	0	0	113	Y430 R491	Y430-N493 VanDerWaalsContact CE1-O 3.26Å; Y430-N493 WeakPolarHBondContact CE1-O 3.35Å; R491-N493 VanDerWaalsContact CD-OD1 3.23Å; R491-N493 WeakPolarHBondContact CD-OD1 3.48Å; R491-N493 VanDerWaalsContact CG-OD1 3.23Å; R491-N493 WeakPolarHBondContact CG-OD1 3.5Å
494	N	70.2	Confident	69.3	Low	61 Å²	61	46.7 Å²	46.7	33%	0.326	24%	0.244	S	C	.	.	S	Bend	trans	-85.2	153.7	-176.8	-56.1	-65.8	0	0	0	110.6	P429 N492 W496 V498	P429-N494 VanDerWaalsContact CA-O 3.26Å; P429-N494 WeakPolarHBondContact CA-O 3.3Å; P429-N494 VanDerWaalsContact CB-O 3.25Å; P429-N494 WeakPolarHBondContact CB-O 3.08Å; N492-N494 VanDerWaalsContact OD1-CB 3.31Å; N492-N494 WeakPolarHBondContact OD1-CB 3.4Å; N492-N494 PolarHBondContact OD1-N 3Å; N492-N494 PolarHBondContact OD1-ND2 3.35Å; N494-W496 HydrophobicContact CB-CD2 3.8Å; N494-W496 HydrophobicContact CB-CE3 4.27Å; N494-W496 HydrophobicContact CB-CG 4.23Å; N494-W496 HydrophobicContact CB-CH2 4.18Å; N494-W496 HydrophobicContact CB-CZ2 3.72Å; N494-W496 HydrophobicContact CB-CZ3 4.44Å; N494-W496 PolarHBondContact O-N 2.93Å; N494-V498 WeakPolarHBondContact ND2-CG2 3.47Å
495	P	74.1	Confident	69.8	Low	76 Å²	76	45.4 Å²	45.4	49%	0.494	24%	0.236	S	C	.	.	S	Bend	trans	-70	-4.4	172.8	18.5	-22.1	0	0	0	114.7	P429 Y430	P429-P495 VanDerWaalsContact CG-O 3.24Å; P429-P495 WeakPolarHBondContact CG-O 2.73Å; Y430-P495 HydrophobicContact CE2-CB 4.15Å; Y430-P495 WeakPolarHBondContact OH-CB 3.42Å
496	W	71.5	Confident	70.3	Confident	158 Å²	158	45.4 Å²	45.4	60%	0.598	24%	0.236	S	C	*	.	S	Bend	trans	-119.7	161.3	178.4	57.1	84.1	0	0	0	111.2	N492 N494	N492-W496 PolarHBondContact ND2-O 3.24Å; N494-W496 HydrophobicContact CB-CD2 3.8Å; N494-W496 HydrophobicContact CB-CE3 4.27Å; N494-W496 HydrophobicContact CB-CG 4.23Å; N494-W496 HydrophobicContact CB-CH2 4.18Å; N494-W496 HydrophobicContact CB-CZ2 3.72Å; N494-W496 HydrophobicContact CB-CZ3 4.44Å; N494-W496 PolarHBondContact O-N 2.93Å
497	N	76	Confident	70.8	Confident	78 Å²	78	41.4 Å²	41.4	42%	0.417	22%	0.215	S	C	.	.			trans	-64.8	136.6	178.1	-66.1	7.4	0	0	0	111.4	S426 I427 P429	S426-N497 PolarHBondContact OG-ND2 3.17Å; I427-N497 VanDerWaalsContact O-CA 3.32Å; I427-N497 WeakPolarHBondContact O-CA 3.39Å; P429-N497 VanDerWaalsContact CD-OD1 3.27Å; P429-N497 WeakPolarHBondContact CD-OD1 3.11Å
498	V	74.4	Confident	71.1	Confident	30 Å²	30	40.7 Å²	40.7	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.5	171.3	177.9	0	0	0	0	108.5	I427 N492 N494 Y500	I427-V498 PolarHBondContact N-O 2.89Å; I427-V498 PolarHBondContact O-N 2.88Å; N492-V498 HydrophobicContact CB-CB 4.44Å; N492-V498 HydrophobicContact CB-CG2 4.3Å; N492-V498 VanDerWaalsContact CG-CG2 3.44Å; N492-V498 PolarHBondContact ND2-N 3.21Å; N492-V498 WeakPolarHBondContact OD1-CG2 3.35Å; N494-V498 WeakPolarHBondContact ND2-CG2 3.47Å; V498-Y500 HydrophobicContact CB-CE2 4.09Å; V498-Y500 HydrophobicContact CG1-CD2 4.3Å; V498-Y500 HydrophobicContact CG1-CE1 4.35Å; V498-Y500 HydrophobicContact CG1-CE2 3.53Å
499	S	78.9	Confident	71.6	Confident	50 Å²	50	40 Å²	40	35%	0.35	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.3	-177.6	-60.5	0	0	0	0	111.3	L425	L425-S499 CarbonylContact O-C 3.53Å; L425-S499 VanDerWaalsContact O-CA 3.32Å; L425-S499 WeakPolarHBondContact O-CA 3.47Å
500	Y	76.6	Confident	71.8	Confident	40 Å²	40	39.4 Å²	39.4	16%	0.157	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.4	176.4	-61.8	-89.2	0	0	0	108.1	Q424 L425 I427 Y456 F490 V498	Q424-Y500 CarbonylContact C-O 3.56Å; Q424-Y500 WeakPolarHBondContact CA-O 3.39Å; L425-Y500 PolarHBondContact N-O 3.27Å; L425-Y500 PolarHBondContact O-N 3.27Å; I427-Y500 HydrophobicContact CB-CE2 4.15Å; I427-Y500 HydrophobicContact CG1-CD2 3.68Å; I427-Y500 HydrophobicContact CG1-CE2 3.64Å; Y456-Y500 AromaticContact CE2-CD1 3.92Å; Y456-Y500 HydrophobicContact CE2-CD1 3.92Å; Y456-Y500 HydrophobicContact CE2-CG 4.49Å; Y456-Y500 AromaticContact CZ-CD1 3.97Å; Y456-Y500 WeakPolarHBondContact OH-CD1 3.08Å; F490-Y500 HydrophobicContact CB-CE2 4.48Å; F490-Y500 AromaticContact CD1-CD1 3.71Å; F490-Y500 HydrophobicContact CD1-CD1 3.71Å; F490-Y500 AromaticContact CD1-CD2 3.62Å; F490-Y500 HydrophobicContact CD1-CD2 3.62Å; F490-Y500 AromaticContact CD1-CE1 3.64Å; F490-Y500 HydrophobicContact CD1-CE1 3.64Å; F490-Y500 AromaticContact CD1-CE2 3.55Å; F490-Y500 HydrophobicContact CD1-CE2 3.55Å; F490-Y500 AromaticContact CD1-CG 3.69Å; F490-Y500 HydrophobicContact CD1-CG 3.69Å; F490-Y500 AromaticContact CD1-CZ 3.56Å; F490-Y500 AromaticContact CE1-CD1 3.44Å; F490-Y500 HydrophobicContact CE1-CD1 3.44Å; F490-Y500 VanDerWaalsContact CE1-CD1 3.44Å; F490-Y500 HydrophobicContact CE1-CD2 4.01Å; F490-Y500 AromaticContact CE1-CE1 3.76Å; F490-Y500 HydrophobicContact CE1-CE1 3.76Å; F490-Y500 HydrophobicContact CE1-CE2 4.28Å; F490-Y500 AromaticContact CE1-CG 3.58Å; F490-Y500 HydrophobicContact CE1-CG 3.58Å; F490-Y500 HydrophobicContact CG-CE2 4.4Å; V498-Y500 HydrophobicContact CB-CE2 4.09Å; V498-Y500 HydrophobicContact CG1-CD2 4.3Å; V498-Y500 HydrophobicContact CG1-CE1 4.35Å; V498-Y500 HydrophobicContact CG1-CE2 3.53Å
501	N	79.5	Confident	71.8	Confident	42 Å²	42	42.2 Å²	42.2	23%	0.225	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.9	-178.1	-55.3	-65.4	0	0	0	109.2	V423 Q424 Y456 L457	V423-N501 CarbonylContact O-C 3.47Å; Q424-N501 WeakPolarHBondContact CG-OD1 3.05Å; Q424-N501 PolarHBondContact NE2-OD1 2.77Å; Y456-N501 WeakPolarHBondContact CD2-O 3.38Å; L457-N501 HydrophobicContact CB-CB 4.08Å; L457-N501 WeakPolarHBondContact CB-O 3.36Å; L457-N501 HydrophobicContact CD1-CB 4.22Å; L457-N501 PolarHBondContact N-O 2.76Å
502	F	76.7	Confident	71.8	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.6	178.3	-60.7	-91.3	0	0	0	108.8	N422 V423 L425 D455 Y456 L469 I487 F490	N422-F502 CarbonylContact C-O 3.59Å; N422-F502 VanDerWaalsContact CA-O 3.29Å; N422-F502 WeakPolarHBondContact CA-O 3.39Å; V423-F502 PolarHBondContact N-O 3.41Å; V423-F502 PolarHBondContact O-N 3.45Å; L425-F502 HydrophobicContact CB-CD2 4.3Å; L425-F502 HydrophobicContact CB-CE2 3.78Å; L425-F502 HydrophobicContact CD2-CE2 4.17Å; D455-F502 CarbonylContact O-C 3.59Å; D455-F502 WeakPolarHBondContact O-CA 3.11Å; D455-F502 VanDerWaalsContact O-CB 3.29Å; D455-F502 WeakPolarHBondContact O-CB 3Å; Y456-F502 HydrophobicContact CD2-CD1 4.07Å; Y456-F502 AromaticContact CD2-CE1 3.72Å; Y456-F502 HydrophobicContact CD2-CE1 3.72Å; Y456-F502 AromaticContact CD2-CZ 3.98Å; Y456-F502 HydrophobicContact CD2-CZ 3.98Å; Y456-F502 HydrophobicContact CG-CD1 4.47Å; Y456-F502 HydrophobicContact CG-CE1 4.11Å; L469-F502 HydrophobicContact CD1-CD1 4Å; L469-F502 HydrophobicContact CD1-CE1 3.89Å; I487-F502 HydrophobicContact CB-CE1 4.24Å; I487-F502 HydrophobicContact CB-CZ 4.46Å; I487-F502 HydrophobicContact CD1-CE1 4.41Å; I487-F502 HydrophobicContact CD1-CE2 4.4Å; I487-F502 HydrophobicContact CD1-CZ 3.88Å; I487-F502 HydrophobicContact CG2-CE1 4.17Å; F490-F502 HydrophobicContact CE1-CZ 4.33Å; F490-F502 HydrophobicContact CE2-CZ 4.5Å; F490-F502 HydrophobicContact CZ-CE1 4.48Å; F490-F502 AromaticContact CZ-CZ 3.77Å; F490-F502 HydrophobicContact CZ-CZ 3.77Å
503	Q	77.8	Confident	71.7	Confident	19 Å²	19	47.9 Å²	47.9	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.9	171.3	178	169.8	86.7	0	0	109.1	F420 F421 N422 M454 D455 L457	F420-Q503 HydrophobicContact CB-CG 3.88Å; F420-Q503 HydrophobicContact CD1-CG 3.97Å; F420-Q503 HydrophobicContact CG-CG 4.33Å; F421-Q503 CarbonylContact O-C 3.5Å; F421-Q503 WeakPolarHBondContact O-CA 3.3Å; N422-Q503 WeakPolarHBondContact OD1-CB 3.44Å; N422-Q503 PolarHBondContact OD1-NE2 3.01Å; M454-Q503 CarbonylContact C-O 3.54Å; D455-Q503 HydrophobicContact CB-CB 4.15Å; D455-Q503 PolarHBondContact N-O 2.97Å; D455-Q503 PolarHBondContact O-N 2.87Å; L457-Q503 HydrophobicContact CD1-CB 4.19Å; L457-Q503 HydrophobicContact CD2-CB 3.99Å; L457-Q503 HydrophobicContact CG-CB 4.21Å
504	I	77.4	Confident	71.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.7	-177.8	-59.9	-179.9	0	0	0	108.4	F420 F421 V423 I439 M454 V506 I524	F420-I504 CarbonylContact C-O 3.45Å; F420-I504 VanDerWaalsContact CA-O 3.28Å; F420-I504 WeakPolarHBondContact CA-O 3.29Å; F421-I504 PolarHBondContact N-O 3.05Å; F421-I504 PolarHBondContact O-N 3.05Å; V423-I504 HydrophobicContact CB-CD1 4.31Å; V423-I504 HydrophobicContact CG2-CD1 3.6Å; V423-I504 HydrophobicContact CG2-CG1 4.06Å; I439-I504 HydrophobicContact CD1-CD1 4.45Å; I439-I504 HydrophobicContact CD1-CG2 3.39Å; I439-I504 HydrophobicContact CG1-CG2 4.48Å; M454-I504 HydrophobicContact CE-CD1 3.62Å; M454-I504 HydrophobicContact CE-CG1 3.7Å; M454-I504 HydrophobicContact CG-CG1 4.37Å; I504-V506 HydrophobicContact CG2-CG1 4.12Å; I504-I524 HydrophobicContact CD1-CD1 3.77Å; I504-I524 HydrophobicContact CD1-CG2 4.33Å
505	G	76.2	Confident	71.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.9	173	0	0	0	0	0	111.1	Q419 C452 S453	Q419-G505 CarbonylContact O-C 3.41Å; Q419-G505 VanDerWaalsContact O-CA 3.22Å; Q419-G505 WeakPolarHBondContact O-CA 3.27Å; C452-G505 WeakPolarHBondContact CA-O 3.5Å; C452-G505 WeakPolarHBondContact CB-O 3.14Å; C452-G505 PolarHBondContact N-O 3.21Å; S453-G505 PolarHBondContact N-O 2.94Å; S453-G505 PolarHBondContact O-N 3.03Å
506	V	75.4	Confident	71.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	160.1	170.9	-59.7	0	0	0	0	111.4	Q419 F421 V449 E450 I504 F522	Q419-V506 PolarHBondContact N-O 2.72Å; Q419-V506 PolarHBondContact O-N 2.95Å; F421-V506 HydrophobicContact CD2-CG2 4.02Å; F421-V506 HydrophobicContact CE2-CG2 3.45Å; F421-V506 VanDerWaalsContact CE2-CG2 3.45Å; F421-V506 HydrophobicContact CZ-CG2 4.48Å; V449-V506 HydrophobicContact CB-CB 4.25Å; V449-V506 HydrophobicContact CG1-CG2 4.37Å; E450-V506 CarbonylContact O-C 3.55Å; E450-V506 WeakPolarHBondContact O-CA 3.39Å; E450-V506 WeakPolarHBondContact O-CB 3.25Å; I504-V506 HydrophobicContact CG2-CG1 4.12Å; V506-F522 HydrophobicContact CG1-CE2 4.2Å; V506-F522 HydrophobicContact CG1-CZ 4.17Å; V506-F522 HydrophobicContact CG2-CE1 4.36Å; V506-F522 HydrophobicContact CG2-CZ 3.95Å
507	N	71.9	Confident	71.2	Confident	12 Å²	12	42.1 Å²	42.1	6%	0.064	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.3	171.4	-165.6	12	0	0	0	109.7	E416 K417 V449 E450	E416-N507 VanDerWaalsContact CA-OD1 3.25Å; E416-N507 WeakPolarHBondContact CA-OD1 3.26Å; K417-N507 PolarHBondContact N-OD1 3Å; K417-N507 PolarHBondContact O-OD1 3.07Å; V449-N507 CarbonylContact C-O 3.08Å; V449-N507 WeakPolarHBondContact CA-O 2.95Å; V449-N507 WeakPolarHBondContact CB-O 3.47Å; E450-N507 HydrophobicContact CB-CB 3.99Å; E450-N507 PolarHBondContact N-O 2.92Å; E450-N507 PolarHBondContact O-N 2.94Å
508	L	69	Low	71	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.5	176	-77.2	165.1	0	0	0	110.2	N413 E416 V449 V520 L540	N413-L508 HydrophobicContact CB-CD1 3.63Å; E416-L508 WeakPolarHBondContact CA-O 3.45Å; E416-L508 PolarHBondContact N-O 2.87Å; V449-L508 HydrophobicContact CG1-CD2 3.61Å; V449-L508 HydrophobicContact CG1-CG 4.31Å; L508-V520 HydrophobicContact CD2-CB 3.82Å; L508-V520 HydrophobicContact CD2-CG1 3.72Å; L508-V520 HydrophobicContact CD2-CG2 3.92Å; L508-L540 HydrophobicContact CD1-CD1 4.46Å; L508-L540 HydrophobicContact CD2-CD1 4.12Å; L508-L540 HydrophobicContact CG-CD1 4.46Å
509	F	66.1	Low	70.9	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	26%	0.258	C	S	.	.			trans	-75.5	141.1	178.3	-66.3	-52.2	0	0	0	112.3	F447 Q448 V449 E450 R479 Y511	F447-F509 HydrophobicContact CB-CD2 3.9Å; F447-F509 HydrophobicContact CB-CE2 4.04Å; F447-F509 HydrophobicContact CD1-CD2 4.43Å; F447-F509 AromaticContact CD1-CE2 3.71Å; F447-F509 HydrophobicContact CD1-CE2 3.71Å; F447-F509 HydrophobicContact CD1-CZ 4.4Å; F447-F509 HydrophobicContact CG-CE2 4.38Å; Q448-F509 PolarHBondContact O-N 2.75Å; V449-F509 WeakPolarHBondContact O-CE2 3.11Å; E450-F509 HydrophobicContact CB-CE1 3.65Å; E450-F509 HydrophobicContact CB-CE2 4.4Å; E450-F509 HydrophobicContact CB-CZ 3.49Å; E450-F509 VanDerWaalsContact CB-CZ 3.49Å; E450-F509 HydrophobicContact CG-CE1 4.28Å; E450-F509 HydrophobicContact CG-CZ 4.05Å; R479-F509 HydrophobicContact CB-CE1 4.19Å; R479-F509 HydrophobicContact CB-CZ 4.14Å; R479-F509 HydrophobicContact CG-CE1 4.37Å; R479-F509 VanDerWaalsContact NH1-CD1 3.31Å; F509-Y511 PolarHBondContact O-N 3.33Å
510	N	59.4	Low	70.5	Confident	57 Å²	57	41.4 Å²	41.4	31%	0.305	24%	0.241	S	C	.	.			trans	-75.8	105.9	160.5	-169.2	13	0	0	0	109.1	V415 E416 P548	V415-N510 HydrophobicContact CG1-CB 3.49Å; V415-N510 VanDerWaalsContact CG1-CB 3.49Å; V415-N510 VanDerWaalsContact CG1-N 3.33Å; E416-N510 HydrophobicContact CG-CB 4.24Å; E416-N510 PolarHBondContact OE1-N 3.43Å; N510-P548 WeakPolarHBondContact ND2-CD 3.45Å; N510-P548 WeakPolarHBondContact ND2-CG 3.29Å
511	Y	61.9	Low	70.4	Confident	81 Å²	81	43.7 Å²	43.7	32%	0.318	25%	0.253	S	S	.	.			trans	-103	135.2	171.4	-141.9	-94.9	0	0	0	108.6	F447 F509 S513 Y514	F447-Y511 HydrophobicContact CB-CE2 4.44Å; F509-Y511 PolarHBondContact O-N 3.33Å; Y511-S513 PolarHBondContact O-N 2.8Å; Y511-Y514 HydrophobicContact CG-CE2 4.37Å; Y511-Y514 PolarHBondContact O-N 2.91Å
512	P	61.7	Low	70.2	Confident	127 Å²	127	41.8 Å²	41.8	83%	0.825	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.2	-173.6	-26	32.7	0	0	0	115
513	S	64.2	Low	70.3	Confident	56 Å²	56	42.2 Å²	42.2	39%	0.392	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.9	179.8	65.9	0	0	0	0	114.8	Y511	Y511-S513 PolarHBondContact O-N 2.8Å
514	Y	68.7	Low	70.4	Confident	21 Å²	21	41.6 Å²	41.6	8%	0.082	24%	0.243	C	C	.	.			trans	-76.9	134.3	-177.8	-68.9	-36.6	0	0	0	110.9	F447 Y511 V520 I542	F447-Y514 PolarHBondContact O-OH 2.8Å; Y511-Y514 HydrophobicContact CG-CE2 4.37Å; Y511-Y514 PolarHBondContact O-N 2.91Å; Y514-V520 HydrophobicContact CE1-CG2 4.47Å; Y514-V520 HydrophobicContact CE2-CG2 4.47Å; Y514-I542 HydrophobicContact CD1-CD1 4.29Å; Y514-I542 HydrophobicContact CD2-CD1 4.09Å; Y514-I542 HydrophobicContact CG-CD1 3.82Å
515	V	66.9	Low	70.5	Confident	89 Å²	89	45.7 Å²	45.7	54%	0.539	26%	0.259	S	S	.	.			trans	-117.7	157.4	174.5	-109.3	0	0	0	0	110.8	G517 D518	V515-G517 PolarHBondContact O-N 2.97Å; V515-D518 WeakPolarHBondContact CG2-OD2 3.26Å; V515-D518 PolarHBondContact N-OD2 2.85Å; V515-D518 VanDerWaalsContact O-CB 3.29Å; V515-D518 WeakPolarHBondContact O-CB 3.18Å; V515-D518 PolarHBondContact O-N 2.82Å
516	L	67.9	Low	70.5	Confident	110 Å²	110	45.7 Å²	45.7	58%	0.576	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	128.1	-179.7	-157.8	89.3	0	0	0	108.6	M545	L516-M545 HydrophobicContact CB-CE 3.89Å; L516-M545 HydrophobicContact CD1-CE 4.28Å; L516-M545 HydrophobicContact CD1-CG 4.4Å
517	G	69.1	Low	70.1	Confident	58 Å²	58	47.4 Å²	47.4	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-9.8	-173.6	0	0	0	0	0	115.1	V515 I542	V515-G517 PolarHBondContact O-N 2.97Å; G517-I542 PolarHBondContact N-O 2.82Å
518	D	71.7	Confident	69.7	Low	59 Å²	59	48.1 Å²	48.1	32%	0.316	27%	0.271	S	S	.	.			trans	-62.7	157	170.4	-79.9	-13.4	0	0	0	111.4	V515 P541 I542	V515-D518 WeakPolarHBondContact CG2-OD2 3.26Å; V515-D518 PolarHBondContact N-OD2 2.85Å; V515-D518 VanDerWaalsContact O-CB 3.29Å; V515-D518 WeakPolarHBondContact O-CB 3.18Å; V515-D518 PolarHBondContact O-N 2.82Å; D518-P541 CarbonylContact O-C 3.55Å; D518-P541 WeakPolarHBondContact O-CA 3.36Å; D518-I542 HydrophobicContact CB-CD1 4.21Å; D518-I542 PolarHBondContact O-N 2.98Å
519	T	71.3	Confident	69.3	Low	83 Å²	83	50.7 Å²	50.7	51%	0.509	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.5	174.6	52.5	0	0	0	0	111.2	T539 L540 P541	T519-T539 HydrophobicContact CG2-CG2 4.15Å; T519-L540 CarbonylContact C-O 3.54Å; T519-L540 WeakPolarHBondContact CA-O 3.2Å; T519-P541 HydrophobicContact CG2-CB 4.12Å
520	V	72.2	Confident	68.8	Low	1 Å²	1	57 Å²	57	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.2	177	-177.8	0	0	0	0	108.4	Q448 V449 L508 Y514 T539 L540 I542	Q448-V520 HydrophobicContact CB-CG1 3.53Å; Q448-V520 HydrophobicContact CG-CG1 4.24Å; Q448-V520 VanDerWaalsContact OE1-CG1 3.24Å; V449-V520 HydrophobicContact CG1-CG1 4.25Å; L508-V520 HydrophobicContact CD2-CB 3.82Å; L508-V520 HydrophobicContact CD2-CG1 3.72Å; L508-V520 HydrophobicContact CD2-CG2 3.92Å; Y514-V520 HydrophobicContact CE1-CG2 4.47Å; Y514-V520 HydrophobicContact CE2-CG2 4.47Å; V520-T539 CarbonylContact O-C 3.56Å; V520-T539 WeakPolarHBondContact O-CA 3.42Å; V520-L540 PolarHBondContact N-O 2.96Å; V520-L540 PolarHBondContact O-N 3.25Å; V520-I542 HydrophobicContact CG2-CD1 3.82Å; V520-I542 HydrophobicContact CG2-CG1 3.94Å
521	Q	73.9	Confident	68.9	Low	87 Å²	87	58.9 Å²	58.9	41%	0.407	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.7	-178	-69.4	-170.3	-18.8	0	0	112.7	Q448 V537 V538 T539	Q448-Q521 VanDerWaalsContact OE1-C 3.23Å; Q448-Q521 PolarHBondContact OE1-O 2.81Å; Q521-V537 HydrophobicContact CB-CG1 3.89Å; Q521-V537 HydrophobicContact CG-CG1 4.31Å; Q521-V538 VanDerWaalsContact CA-O 3.23Å; Q521-V538 WeakPolarHBondContact CA-O 3.4Å; Q521-T539 HydrophobicContact CG-CG2 3.84Å; Q521-T539 WeakPolarHBondContact CG-OG1 3.24Å; Q521-T539 PolarHBondContact NE2-OG1 3.17Å; Q521-T539 VanDerWaalsContact NE2-OG1 3.09Å
522	F	75.1	Confident	68.9	Low	2 Å²	2	58.7 Å²	58.7	1%	0.009	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142	175	64.4	-87.6	0	0	0	111.8	I439 V449 V506 I524 V538 L540	I439-F522 HydrophobicContact CG2-CD2 3.95Å; I439-F522 HydrophobicContact CG2-CE2 4.15Å; V449-F522 HydrophobicContact CB-CD1 4.27Å; V449-F522 HydrophobicContact CB-CE1 4.49Å; V449-F522 HydrophobicContact CG1-CD1 3.64Å; V449-F522 HydrophobicContact CG1-CE1 3.74Å; V449-F522 HydrophobicContact CG1-CG 4.4Å; V449-F522 HydrophobicContact CG2-CB 3.76Å; V449-F522 HydrophobicContact CG2-CD1 3.55Å; V449-F522 HydrophobicContact CG2-CD2 3.86Å; V449-F522 HydrophobicContact CG2-CE1 4.06Å; V449-F522 HydrophobicContact CG2-CE2 4.33Å; V449-F522 HydrophobicContact CG2-CG 3.44Å; V449-F522 VanDerWaalsContact CG2-CG 3.44Å; V449-F522 HydrophobicContact CG2-CZ 4.42Å; V506-F522 HydrophobicContact CG1-CE2 4.2Å; V506-F522 HydrophobicContact CG1-CZ 4.17Å; V506-F522 HydrophobicContact CG2-CE1 4.36Å; V506-F522 HydrophobicContact CG2-CZ 3.95Å; F522-I524 HydrophobicContact CD2-CG1 4.39Å; F522-I524 HydrophobicContact CE2-CD1 4.26Å; F522-I524 HydrophobicContact CE2-CG1 4.14Å; F522-V538 HydrophobicContact CD1-CB 4.35Å; F522-V538 HydrophobicContact CD2-CB 4.48Å; F522-V538 HydrophobicContact CE1-CB 3.9Å; F522-V538 HydrophobicContact CE1-CG1 3.93Å; F522-V538 HydrophobicContact CE2-CB 4.05Å; F522-V538 HydrophobicContact CE2-CG2 4.03Å; F522-V538 HydrophobicContact CZ-CB 3.74Å; F522-V538 HydrophobicContact CZ-CG1 3.85Å; F522-V538 HydrophobicContact CZ-CG2 4.06Å; F522-V538 PolarHBondContact N-O 3.2Å; F522-V538 VanDerWaalsContact N-O 3.07Å; F522-V538 PolarHBondContact O-N 2.84Å; F522-L540 HydrophobicContact CE1-CD1 3.68Å; F522-L540 HydrophobicContact CE1-CG 4.25Å; F522-L540 HydrophobicContact CZ-CD1 4.43Å
523	P	79.4	Confident	69.1	Low	11 Å²	11	53.7 Å²	53.7	7%	0.071	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.3	-178.2	27.5	-13.7	0	0	0	111.8	F440 I443 T535 F536 V537	F440-P523 HydrophobicContact CB-CG 3.99Å; F440-P523 PolarHBondContact N-O 2.64Å; F440-P523 VanDerWaalsContact N-O 3.12Å; F440-P523 VanDerWaalsContact O-CD 3.29Å; F440-P523 WeakPolarHBondContact O-CD 3.23Å; I443-P523 HydrophobicContact CD1-CG 3.87Å; I443-P523 HydrophobicContact CG1-CG 4.23Å; P523-T535 HydrophobicContact CB-CG2 4.07Å; P523-F536 CarbonylContact C-O 3.57Å; P523-F536 WeakPolarHBondContact CA-O 3.47Å; P523-V537 HydrophobicContact CB-CG2 4.34Å
524	I	79.5	Confident	69.4	Low	6 Å²	6	52.2 Å²	52.2	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.7	166.6	-57.7	171.6	0	0	0	107.1	I437 Q438 I439 I504 F522 T535 F536 V538	I437-I524 HydrophobicContact CG2-CG2 3.55Å; Q438-I524 CarbonylContact O-C 3.51Å; Q438-I524 WeakPolarHBondContact O-CA 3.32Å; I439-I524 HydrophobicContact CG1-CG1 4.48Å; I504-I524 HydrophobicContact CD1-CD1 3.77Å; I504-I524 HydrophobicContact CD1-CG2 4.33Å; F522-I524 HydrophobicContact CD2-CG1 4.39Å; F522-I524 HydrophobicContact CE2-CD1 4.26Å; F522-I524 HydrophobicContact CE2-CG1 4.14Å; I524-T535 WeakPolarHBondContact O-CA 3.38Å; I524-F536 PolarHBondContact N-O 2.86Å; I524-F536 PolarHBondContact O-N 2.92Å; I524-V538 HydrophobicContact CD1-CG2 3.45Å; I524-V538 VanDerWaalsContact CD1-CG2 3.45Å; I524-V538 HydrophobicContact CG1-CG2 4.09Å
525	R	79.5	Confident	69.6	Low	87 Å²	87	54.8 Å²	54.8	33%	0.328	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.5	176.8	-55.7	-162.8	-161.9	155.8	6.1	110.7	I437 Q438 F440 T532 S534 T535	I437-R525 CarbonylContact C-O 3.55Å; I437-R525 WeakPolarHBondContact CA-O 3.09Å; Q438-R525 HydrophobicContact CB-CB 4.5Å; Q438-R525 PolarHBondContact N-O 2.66Å; Q438-R525 PolarHBondContact O-N 3.4Å; F440-R525 HydrophobicContact CD2-CG 4.06Å; F440-R525 HydrophobicContact CE2-CB 4.39Å; F440-R525 HydrophobicContact CE2-CG 3.83Å; F440-R525 VanDerWaalsContact CE2-NE 3.34Å; R525-T532 HydrophobicContact CB-CG2 4.49Å; R525-S534 CarbonylContact C-O 3.52Å; R525-S534 WeakPolarHBondContact CA-O 3.38Å; R525-T535 HydrophobicContact CG-CG2 3.89Å; R525-T535 WeakPolarHBondContact CG-OG1 3.37Å
526	M	76.7	Confident	70	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.8	162.4	-162.9	166.4	58.5	0	0	109.6	N402 I404 L425 Y435 G436 I533 S534	N402-M526 HydrophobicContact CB-CE 3.93Å; N402-M526 WeakPolarHBondContact O-CE 3.49Å; I404-M526 HydrophobicContact CD1-CB 3.5Å; I404-M526 VanDerWaalsContact CD1-CB 3.5Å; I404-M526 HydrophobicContact CD1-CG 3.83Å; I404-M526 HydrophobicContact CD1-SD 3.64Å; I404-M526 HydrophobicContact CG1-CB 4.05Å; I404-M526 HydrophobicContact CG1-CE 4.06Å; I404-M526 HydrophobicContact CG1-CG 4.36Å; I404-M526 HydrophobicContact CG1-SD 3.63Å; L425-M526 HydrophobicContact CD1-CE 3.7Å; L425-M526 HydrophobicContact CD1-SD 3.3Å; L425-M526 WeakPolarHBondContact CD1-SD 3.38Å; L425-M526 HydrophobicContact CD2-SD 4.05Å; L425-M526 HydrophobicContact CG-SD 4.29Å; Y435-M526 HydrophobicContact CD1-CE 4.11Å; Y435-M526 HydrophobicContact CD1-CG 4.12Å; Y435-M526 HydrophobicContact CD1-SD 3.72Å; Y435-M526 HydrophobicContact CE1-CE 4.2Å; Y435-M526 HydrophobicContact CE1-SD 4.34Å; Y435-M526 HydrophobicContact CG-SD 4.4Å; G436-M526 WeakPolarHBondContact O-CA 3.25Å; M526-I533 HydrophobicContact CE-CB 3.94Å; M526-I533 HydrophobicContact CE-CD1 4.23Å; M526-I533 HydrophobicContact CE-CG2 3.49Å; M526-I533 VanDerWaalsContact CE-CG2 3.49Å; M526-I533 PolarHBondContact O-N 2.8Å; M526-S534 WeakPolarHBondContact CB-OG 3.39Å; M526-S534 PolarHBondContact N-O 2.77Å; M526-S534 PolarHBondContact O-N 2.83Å
527	Y	67	Low	70.3	Confident	36 Å²	36	52 Å²	52	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.3	174.5	65.7	-88.9	0	0	0	111.3	Y435 G436 Q438 T484 G529 L531	Y435-Y527 CarbonylContact C-O 3.59Å; Y435-Y527 WeakPolarHBondContact CA-O 3.47Å; G436-Y527 VanDerWaalsContact C-CE1 3.41Å; G436-Y527 PolarHBondContact N-O 2.8Å; G436-Y527 WeakPolarHBondContact O-CD1 3.3Å; G436-Y527 PolarHBondContact O-N 2.72Å; Q438-Y527 HydrophobicContact CB-CD1 4.19Å; Q438-Y527 HydrophobicContact CB-CE1 4.02Å; T484-Y527 HydrophobicContact CG2-CE1 3.91Å; T484-Y527 WeakPolarHBondContact CG2-OH 3.13Å; Y527-G529 WeakPolarHBondContact CD2-O 3.49Å; Y527-L531 CarbonylContact C-O 3.5Å; Y527-L531 WeakPolarHBondContact CA-O 3.32Å; Y527-L531 WeakPolarHBondContact CB-O 3.47Å
528	S	63.3	Low	70.5	Confident	27 Å²	27	49.3 Å²	49.3	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115	169.4	-178.9	0	0	0	0	108	A434 T530 L531	A434-S528 VanDerWaalsContact O-CA 3.28Å; A434-S528 WeakPolarHBondContact O-CA 3.25Å; A434-S528 WeakPolarHBondContact O-CB 3.23Å; A434-S528 PolarHBondContact O-OG 3.38Å; S528-T530 PolarHBondContact O-N 2.76Å; S528-L531 PolarHBondContact N-O 2.86Å; S528-L531 WeakPolarHBondContact O-CB 3.08Å; S528-L531 PolarHBondContact O-N 2.85Å
529	G	60.1	Low	70.5	Confident	55 Å²	55	49.7 Å²	49.7	57%	0.567	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	-118.5	-166.7	0	0	0	0	0	110.7	Y527	Y527-G529 WeakPolarHBondContact CD2-O 3.49Å
530	T	55.4	Low	70.5	Confident	143 Å²	143	46.2 Å²	46.2	88%	0.877	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.7	177.2	54.4	0	0	0	0	113.7	S528	S528-T530 PolarHBondContact O-N 2.76Å
531	L	62.2	Low	70.4	Confident	97 Å²	97	48.9 Å²	48.9	51%	0.508	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.4	-176.9	-167.8	87	0	0	0	110.4	Y527 S528 I533	Y527-L531 CarbonylContact C-O 3.5Å; Y527-L531 WeakPolarHBondContact CA-O 3.32Å; Y527-L531 WeakPolarHBondContact CB-O 3.47Å; S528-L531 PolarHBondContact N-O 2.86Å; S528-L531 WeakPolarHBondContact O-CB 3.08Å; S528-L531 PolarHBondContact O-N 2.85Å; L531-I533 HydrophobicContact CD2-CG1 4.34Å; L531-I533 PolarHBondContact O-N 3.07Å
532	T	62	Low	70.1	Confident	77 Å²	77	44.9 Å²	44.9	47%	0.472	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.3	166.4	-59.6	0	0	0	0	108.7	R525	R525-T532 HydrophobicContact CB-CG2 4.49Å
533	I	65.7	Low	69.7	Low	22 Å²	22	48 Å²	48	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-48.3	-177.3	-67.2	161	0	0	0	110.6	A399 N402 Y435 M526 L531	A399-I533 HydrophobicContact CB-CD1 4.31Å; A399-I533 WeakPolarHBondContact O-CG2 3.35Å; N402-I533 WeakPolarHBondContact O-CG2 3.4Å; Y435-I533 HydrophobicContact CD1-CD1 3.52Å; Y435-I533 HydrophobicContact CE1-CD1 3.45Å; Y435-I533 VanDerWaalsContact CE1-CD1 3.45Å; M526-I533 HydrophobicContact CE-CB 3.94Å; M526-I533 HydrophobicContact CE-CD1 4.23Å; M526-I533 HydrophobicContact CE-CG2 3.49Å; M526-I533 VanDerWaalsContact CE-CG2 3.49Å; M526-I533 PolarHBondContact O-N 2.8Å; L531-I533 HydrophobicContact CD2-CG1 4.34Å; L531-I533 PolarHBondContact O-N 3.07Å
534	S	70.4	Confident	68.9	Low	25 Å²	25	49.3 Å²	49.3	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.7	-179.2	65.9	0	0	0	0	110.7	R525 M526	R525-S534 CarbonylContact C-O 3.52Å; R525-S534 WeakPolarHBondContact CA-O 3.38Å; M526-S534 WeakPolarHBondContact CB-OG 3.39Å; M526-S534 PolarHBondContact N-O 2.77Å; M526-S534 PolarHBondContact O-N 2.83Å
535	T	73.5	Confident	67.8	Low	75 Å²	75	52.2 Å²	52.2	46%	0.46	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.8	172.7	-62.3	0	0	0	0	108.1	P523 I524 R525	P523-T535 HydrophobicContact CB-CG2 4.07Å; I524-T535 WeakPolarHBondContact O-CA 3.38Å; R525-T535 HydrophobicContact CG-CG2 3.89Å; R525-T535 WeakPolarHBondContact CG-OG1 3.37Å
536	F	73.8	Confident	66.5	Low	77 Å²	77	52 Å²	52	34%	0.338	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.5	178	178.1	-93.3	0	0	0	109.3	L406 P523 I524 V538	L406-F536 HydrophobicContact CB-CD1 4.45Å; L406-F536 HydrophobicContact CB-CE1 3.67Å; L406-F536 HydrophobicContact CB-CZ 3.82Å; L406-F536 HydrophobicContact CD2-CE1 4.01Å; L406-F536 HydrophobicContact CD2-CZ 4.31Å; L406-F536 HydrophobicContact CG-CE1 4.31Å; P523-F536 CarbonylContact C-O 3.57Å; P523-F536 WeakPolarHBondContact CA-O 3.47Å; I524-F536 PolarHBondContact N-O 2.86Å; I524-F536 PolarHBondContact O-N 2.92Å; F536-V538 HydrophobicContact CD1-CG2 4.03Å; F536-V538 HydrophobicContact CE1-CG2 3.93Å
537	V	74.6	Confident	65	Low	63 Å²	63	60.2 Å²	60.2	38%	0.382	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.4	178.8	-178.4	0	0	0	0	109.1	Q521 P523	Q521-V537 HydrophobicContact CB-CG1 3.89Å; Q521-V537 HydrophobicContact CG-CG1 4.31Å; P523-V537 HydrophobicContact CB-CG2 4.34Å
538	V	73.1	Confident	63.7	Low	2 Å²	2	61.6 Å²	61.6	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.3	173	-176.3	0	0	0	0	108	L406 Q521 F522 I524 F536 L540	L406-V538 HydrophobicContact CD1-CG2 4.34Å; L406-V538 HydrophobicContact CD2-CG1 4.34Å; Q521-V538 VanDerWaalsContact CA-O 3.23Å; Q521-V538 WeakPolarHBondContact CA-O 3.4Å; F522-V538 HydrophobicContact CD1-CB 4.35Å; F522-V538 HydrophobicContact CD2-CB 4.48Å; F522-V538 HydrophobicContact CE1-CB 3.9Å; F522-V538 HydrophobicContact CE1-CG1 3.93Å; F522-V538 HydrophobicContact CE2-CB 4.05Å; F522-V538 HydrophobicContact CE2-CG2 4.03Å; F522-V538 HydrophobicContact CZ-CB 3.74Å; F522-V538 HydrophobicContact CZ-CG1 3.85Å; F522-V538 HydrophobicContact CZ-CG2 4.06Å; F522-V538 PolarHBondContact N-O 3.2Å; F522-V538 VanDerWaalsContact N-O 3.07Å; F522-V538 PolarHBondContact O-N 2.84Å; I524-V538 HydrophobicContact CD1-CG2 3.45Å; I524-V538 VanDerWaalsContact CD1-CG2 3.45Å; I524-V538 HydrophobicContact CG1-CG2 4.09Å; F536-V538 HydrophobicContact CD1-CG2 4.03Å; F536-V538 HydrophobicContact CE1-CG2 3.93Å; V538-L540 HydrophobicContact CG1-CD2 3.93Å; V538-L540 HydrophobicContact CG1-CG 4.03Å
539	T	72.7	Confident	62.3	Low	67 Å²	67	67 Å²	67	41%	0.411	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.1	175.3	-55.5	0	0	0	0	109.7	T519 V520 Q521	T519-T539 HydrophobicContact CG2-CG2 4.15Å; V520-T539 CarbonylContact O-C 3.56Å; V520-T539 WeakPolarHBondContact O-CA 3.42Å; Q521-T539 HydrophobicContact CG-CG2 3.84Å; Q521-T539 WeakPolarHBondContact CG-OG1 3.24Å; Q521-T539 PolarHBondContact NE2-OG1 3.17Å; Q521-T539 VanDerWaalsContact NE2-OG1 3.09Å
540	L	71.1	Confident	60.8	Low	10 Å²	10	69.3 Å²	69.3	5%	0.052	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.1	-175.2	-64.1	-177	0	0	0	110.9	N413 F421 L508 T519 V520 F522 V538	N413-L540 WeakPolarHBondContact ND2-CB 3.18Å; F421-L540 HydrophobicContact CD1-CD2 4.33Å; F421-L540 HydrophobicContact CE1-CD1 4.22Å; F421-L540 HydrophobicContact CE1-CD2 3.27Å; F421-L540 HydrophobicContact CE1-CG 4.37Å; F421-L540 HydrophobicContact CE2-CD1 4.11Å; F421-L540 HydrophobicContact CZ-CD1 3.49Å; F421-L540 VanDerWaalsContact CZ-CD1 3.49Å; F421-L540 HydrophobicContact CZ-CD2 3.45Å; F421-L540 VanDerWaalsContact CZ-CD2 3.45Å; F421-L540 HydrophobicContact CZ-CG 4.12Å; L508-L540 HydrophobicContact CD1-CD1 4.46Å; L508-L540 HydrophobicContact CD2-CD1 4.12Å; L508-L540 HydrophobicContact CG-CD1 4.46Å; T519-L540 CarbonylContact C-O 3.54Å; T519-L540 WeakPolarHBondContact CA-O 3.2Å; V520-L540 PolarHBondContact N-O 2.96Å; V520-L540 PolarHBondContact O-N 3.25Å; F522-L540 HydrophobicContact CE1-CD1 3.68Å; F522-L540 HydrophobicContact CE1-CG 4.25Å; F522-L540 HydrophobicContact CZ-CD1 4.43Å; V538-L540 HydrophobicContact CG1-CD2 3.93Å; V538-L540 HydrophobicContact CG1-CG 4.03Å
541	P	69.7	Low	59.7	Low	58 Å²	58	66.5 Å²	66.5	38%	0.377	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.8	172.7	29	-32.6	0	0	0	110.7	N413 D518 T519 T543	N413-P541 WeakPolarHBondContact CB-O 3.47Å; N413-P541 PolarHBondContact ND2-O 2.78Å; D518-P541 CarbonylContact O-C 3.55Å; D518-P541 WeakPolarHBondContact O-CA 3.36Å; T519-P541 HydrophobicContact CG2-CB 4.12Å; P541-T543 PolarHBondContact O-N 3.21Å
542	I	68.7	Low	58.1	Low	2 Å²	2	67 Å²	67	1%	0.01	39%	0.389	C	S	.	.			trans	-79.5	105.6	175.1	-59	177.6	0	0	0	108.5	V415 Y514 G517 D518 V520 M545	V415-I542 HydrophobicContact CG2-CG2 3.84Å; Y514-I542 HydrophobicContact CD1-CD1 4.29Å; Y514-I542 HydrophobicContact CD2-CD1 4.09Å; Y514-I542 HydrophobicContact CG-CD1 3.82Å; G517-I542 PolarHBondContact N-O 2.82Å; D518-I542 HydrophobicContact CB-CD1 4.21Å; D518-I542 PolarHBondContact O-N 2.98Å; V520-I542 HydrophobicContact CG2-CD1 3.82Å; V520-I542 HydrophobicContact CG2-CG1 3.94Å; I542-M545 HydrophobicContact CG2-CG 3.63Å; I542-M545 HydrophobicContact CG2-SD 4.3Å
543	T	66.3	Low	56.4	Low	69 Å²	69	69.4 Å²	69.4	42%	0.423	41%	0.406	S	S	.	.			trans	-97.1	-16.4	-177.3	54.8	0	0	0	0	113.2	V412 N413 P541	V412-T543 WeakPolarHBondContact CG1-OG1 3.25Å; N413-T543 PolarHBondContact N-OG1 3.36Å; N413-T543 PolarHBondContact O-N 2.78Å; P541-T543 PolarHBondContact O-N 3.21Å
544	S	61.9	Low	54.7	Low	37 Å²	37	73.4 Å²	73.4	26%	0.259	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-154	133.4	179.3	171	0	0	0	0	110.5	N413 V415	N413-S544 PolarHBondContact O-N 3.1Å; V415-S544 PolarHBondContact N-O 3.42Å
545	M	57.2	Low	52.7	Low	68 Å²	68	77.7 Å²	77.7	34%	0.335	46%	0.461	S	S	.	.			trans	-118.2	102.9	172.7	-70.1	-173.7	-66.9	0	0	108.2	V415 L516 I542	V415-M545 HydrophobicContact CG2-CG 3.88Å; L516-M545 HydrophobicContact CB-CE 3.89Å; L516-M545 HydrophobicContact CD1-CE 4.28Å; L516-M545 HydrophobicContact CD1-CG 4.4Å; I542-M545 HydrophobicContact CG2-CG 3.63Å; I542-M545 HydrophobicContact CG2-SD 4.3Å
546	V	51.1	Low	50.5	Low	83 Å²	83	82 Å²	82	50%	0.503	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-82.3	118.1	164.7	-176	0	0	0	0	106
547	Q	44.8	Very low	48.3	Very low	171 Å²	171	82.4 Å²	82.4	80%	0.799	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-56.7	127.2	175.7	-159.3	173.7	18.9	0	0	107.6	I549	Q547-I549 PolarHBondContact O-N 2.84Å
548	P	40.6	Very low	46	Very low	65 Å²	65	82.2 Å²	82.2	42%	0.422	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-55.6	130.7	-179.8	19.8	-30.2	0	0	0	107.8	N510 S550	N510-P548 WeakPolarHBondContact ND2-CD 3.45Å; N510-P548 WeakPolarHBondContact ND2-CG 3.29Å; P548-S550 PolarHBondContact O-N 2.8Å
549	I	33.2	Very low	43.9	Very low	140 Å²	140	87.3 Å²	87.3	72%	0.718	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-52.8	120.9	176	-58.7	171.1	0	0	0	106	Q547 T551	Q547-I549 PolarHBondContact O-N 2.84Å; I549-T551 VanDerWaalsContact C-N 3.33Å; I549-T551 PolarHBondContact O-N 2.86Å
550	S	29.8	Very low	41.8	Very low	105 Å²	105	87.1 Å²	87.1	73%	0.734	51%	0.513	S	S	*	.			trans	-58.3	97.9	176.1	167.3	0	0	0	0	108.2	P548 T552	P548-S550 PolarHBondContact O-N 2.8Å; S550-T552 PolarHBondContact O-N 2.93Å
551	T	32	Very low	39.8	Very low	83 Å²	83	89.7 Å²	89.7	51%	0.509	53%	0.529	S	S	.	.			trans	-77.8	93.2	177.6	50.7	0	0	0	0	108.1	I299 I549	I299-T551 HydrophobicContact CB-CG2 4.4Å; I299-T551 HydrophobicContact CD1-CG2 3.45Å; I299-T551 VanDerWaalsContact CD1-CG2 3.45Å; I299-T551 HydrophobicContact CG2-CG2 4.03Å; I549-T551 VanDerWaalsContact C-N 3.33Å; I549-T551 PolarHBondContact O-N 2.86Å
552	T	27.9	Very low	37.9	Very low	108 Å²	108	89.7 Å²	89.7	66%	0.663	53%	0.526	S	S	*	.			trans	-55.7	130.7	152	29.8	0	0	0	0	107.2	S550 V554	S550-T552 PolarHBondContact O-N 2.93Å; T552-V554 PolarHBondContact O-N 2.83Å
553	P	26	Very low	36	Very low	127 Å²	127	97 Å²	97	83%	0.825	56%	0.56	S	S	*	*			trans	-59	113.1	-178.2	20.6	-29.9	0	0	0	109.4	S555	P553-S555 PolarHBondContact O-N 3.09Å
554	V	30.3	Very low	34.4	Very low	106 Å²	106	99.4 Å²	99.4	64%	0.642	56%	0.564	S	S	*	*			trans	-76.1	121.2	-176.6	-165.9	0	0	0	0	108	I299 T552 K556	I299-V554 HydrophobicContact CD1-CG2 3.98Å; T552-V554 PolarHBondContact O-N 2.83Å; V554-K556 PolarHBondContact O-N 2.83Å
555	S	28.2	Very low	32.9	Very low	116 Å²	116	103.2 Å²	103.2	81%	0.811	59%	0.586	S	S	*	*	S	Bend	trans	-76.4	0	-168.7	70.2	0	0	0	0	115.4	P553	P553-S555 PolarHBondContact O-N 3.09Å
556	K	27.9	Very low	31.5	Very low	166 Å²	166	104.6 Å²	104.6	72%	0.722	59%	0.591	S	S	*	*	S	Bend	trans	-141.9	136.4	-177.4	-69.3	-175.6	-179.6	177.2	0	112.3	V554	V554-K556 PolarHBondContact O-N 2.83Å
557	P	26.5	Very low	30.7	Very low	84 Å²	84	105 Å²	105	55%	0.545	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-65.7	151.1	174.7	27.2	-33.1	0	0	0	111.4
558	P	27	Very low	30.1	Very low	60 Å²	60	108.8 Å²	108.8	39%	0.39	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-67.4	142.5	-178.1	25.9	-31.3	0	0	0	112.1	V297	V297-P558 HydrophobicContact CB-CG 3.8Å; V297-P558 HydrophobicContact CG1-CG 3.8Å; V297-P558 HydrophobicContact CG2-CG 3.85Å
559	V	28.5	Very low	29.7	Very low	109 Å²	109	111 Å²	111	66%	0.661	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-102.9	126.5	176.6	179	0	0	0	0	108.1
560	V	29.5	Very low	29.6	Very low	62 Å²	62	108.4 Å²	108.4	38%	0.376	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-99.3	119	175.6	178.1	0	0	0	0	108.2	I562	V560-I562 HydrophobicContact CG1-CD1 4.5Å; V560-I562 HydrophobicContact CG1-CG1 4.18Å
561	T	28.6	Very low	29.6	Very low	64 Å²	64	112.7 Å²	112.7	39%	0.393	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-103.7	138.4	175.5	-38.7	0	0	0	0	109	T323 D325	T323-T561 PolarHBondContact OG1-O 3.49Å; D325-T561 PolarHBondContact OD2-OG1 2.76Å; D325-T561 VanDerWaalsContact OD2-OG1 3.04Å
562	I	29.7	Very low	29.5	Very low	58 Å²	58	114.6 Å²	114.6	30%	0.297	64%	0.636	S	S	.	*			trans	-132	123.4	-179.4	-58.3	177.3	0	0	0	108.7	F290 V560	F290-I562 HydrophobicContact CZ-CD1 4.21Å; V560-I562 HydrophobicContact CG1-CD1 4.5Å; V560-I562 HydrophobicContact CG1-CG1 4.18Å
563	E	28.2	Very low	29.5	Very low	156 Å²	156	113.9 Å²	113.9	73%	0.729	64%	0.641	S	S	*	*			trans	-112.2	144	175.8	-74.8	-169.7	155.9	0	0	112.6
564	K	33.3	Very low	29.4	Very low	120 Å²	120	113.8 Å²	113.8	52%	0.522	64%	0.638	S	S	.	*			trans	-104.7	140	-180	177.8	-170.1	-177.4	-167.1	0	110.6	D286 E566	D286-K564 IonicContact OD2-NZ 3.12Å; K564-E566 HydrophobicContact CD-CG 4.21Å; K564-E566 IonicContact NZ-OE1 2.88Å; K564-E566 PolarHBondContact NZ-OE1 2.83Å
565	V	30.1	Very low	29.2	Very low	116 Å²	116	116 Å²	116	70%	0.703	65%	0.646	S	S	*	*			trans	-115.9	120.2	168	-175.6	0	0	0	0	109.4
566	E	29.1	Very low	29.3	Very low	97 Å²	97	117.8 Å²	117.8	45%	0.453	64%	0.64	S	S	.	*			trans	-86.7	139.8	-179.4	-76	-171.5	157.1	0	0	113.2	R313 K564	R313-E566 IonicContact NH2-OE1 2.73Å; K564-E566 HydrophobicContact CD-CG 4.21Å; K564-E566 IonicContact NZ-OE1 2.88Å; K564-E566 PolarHBondContact NZ-OE1 2.83Å
567	P	34.6	Very low	29.1	Very low	91 Å²	91	114.6 Å²	114.6	59%	0.591	64%	0.638	S	S	*	*			trans	-79.2	145.5	173.8	15.6	-7.8	0	0	0	113.2	S569	P567-S569 PolarHBondContact O-N 3.27Å
568	R	30.7	Very low	29.2	Very low	251 Å²	251	111.5 Å²	111.5	95%	0.947	62%	0.618	S	S	*	*	S	Bend	trans	-80.7	3.4	-169.3	-87.7	-175.7	177.3	173.2	0.7	116.8
569	S	32.6	Very low	29.1	Very low	111 Å²	111	111.9 Å²	111.9	78%	0.776	62%	0.619	S	S	*	*			trans	-161.9	90.9	-171.3	51.3	0	0	0	0	113.8	P567	P567-S569 PolarHBondContact O-N 3.27Å
570	S	30.2	Very low	29.1	Very low	87 Å²	87	106.8 Å²	106.8	61%	0.608	59%	0.588	S	S	*	*			trans	-143.2	121.2	160.4	63	0	0	0	0	109.8
571	Q	30.6	Very low	28.8	Very low	195 Å²	195	106.3 Å²	106.3	91%	0.911	58%	0.582	S	S	*	*			trans	-70.8	147.5	-178.6	-84.2	178	-24.8	0	0	112.3
572	P	29.7	Very low	28.8	Very low	123 Å²	123	103.3 Å²	103.3	80%	0.799	56%	0.563	S	S	*	*			trans	-94.1	138.5	-175.7	35.3	-30.9	0	0	0	112.4
573	A	27.3	Very low	28.6	Very low	93 Å²	93	106 Å²	106	77%	0.769	57%	0.57	S	S	*	*			trans	171.9	141.3	137.4	0	0	0	0	0	110.7
574	V	25.2	Very low	28.5	Very low	125 Å²	125	99 Å²	99	76%	0.758	54%	0.537	S	S	*	.			trans	93.4	114	165.9	-158.1	0	0	0	0	117	F576	V574-F576 HydrophobicContact CG1-CE2 3.77Å; V574-F576 HydrophobicContact CG1-CZ 4.36Å
575	N	26	Very low	28.1	Very low	152 Å²	152	96.3 Å²	96.3	81%	0.813	53%	0.526	S	S	*	.			trans	-57.5	118.1	-179.6	-75.8	-30.5	0	0	0	114.6
576	F	30.4	Very low	28.1	Very low	154 Å²	154	93.6 Å²	93.6	68%	0.675	51%	0.505	S	S	*	.			trans	-150.1	139.2	156.1	-65.7	-72.8	0	0	0	112	V574	V574-F576 HydrophobicContact CG1-CE2 3.77Å; V574-F576 HydrophobicContact CG1-CZ 4.36Å
577	S	23.9	Very low	27.9	Very low	99 Å²	99	91.4 Å²	91.4	69%	0.692	50%	0.498	S	S	*	.			trans	-88.8	128.2	-178.3	54.9	0	0	0	0	111.8
578	T	27.2	Very low	27.5	Very low	18 Å²	18	90.5 Å²	90.5	11%	0.11	49%	0.485	C	S	.	.			trans	-151.4	145.1	163	-136.9	0	0	0	0	109.5	P314 T341 F342	P314-T578 HydrophobicContact CB-CG2 3.21Å; P314-T578 HydrophobicContact CG-CG2 3.58Å; T341-T578 WeakPolarHBondContact CB-OG1 3.42Å; T341-T578 PolarHBondContact OG1-OG1 3.39Å; F342-T578 HydrophobicContact CD2-CG2 4.39Å; F342-T578 HydrophobicContact CE1-CG2 3.95Å; F342-T578 HydrophobicContact CE2-CG2 3.35Å; F342-T578 HydrophobicContact CZ-CG2 3.08Å
579	V	24.8	Very low	27.1	Very low	68 Å²	68	83 Å²	83	41%	0.412	46%	0.463	S	S	.	.			trans	-85.6	157.8	178.6	174.1	0	0	0	0	108.3	P339 F342	P339-V579 WeakPolarHBondContact CD-O 3.16Å; P339-V579 VanDerWaalsContact CG-C 3.44Å; P339-V579 HydrophobicContact CG-CB 4.08Å; P339-V579 WeakPolarHBondContact CG-O 3.47Å; F342-V579 WeakPolarHBondContact CE2-O 3.36Å
580	V	29.7	Very low	26.7	Very low	2 Å²	2	80.7 Å²	80.7	1%	0.012	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-133.8	107.9	165.1	167.8	0	0	0	0	107.7	I311 L336 L338 F342 L374 V582	I311-V580 HydrophobicContact CD1-CB 3.84Å; I311-V580 HydrophobicContact CD1-CG1 4.08Å; I311-V580 HydrophobicContact CD1-CG2 4.12Å; I311-V580 HydrophobicContact CG1-CB 4.37Å; L336-V580 HydrophobicContact CD1-CG1 3.86Å; L338-V580 HydrophobicContact CD2-CB 4.32Å; L338-V580 HydrophobicContact CD2-CG1 3.61Å; L338-V580 HydrophobicContact CD2-CG2 3.91Å; F342-V580 HydrophobicContact CE2-CG2 3.65Å; F342-V580 HydrophobicContact CZ-CG2 3.62Å; L374-V580 HydrophobicContact CD2-CG2 3.84Å; V580-V582 HydrophobicContact CG1-CG2 4.24Å; V580-V582 PolarHBondContact O-N 2.7Å
581	E	23.7	Very low	26.4	Very low	53 Å²	53	81.1 Å²	81.1	25%	0.248	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-87.4	84.1	-171.8	-165.5	-172.6	178.6	0	0	111.9	T337 R583	T337-E581 CarbonylContact C-O 3.56Å; T337-E581 VanDerWaalsContact C-O 3.28Å; T337-E581 VanDerWaalsContact CA-O 3.22Å; T337-E581 WeakPolarHBondContact CA-O 3.33Å; T337-E581 WeakPolarHBondContact CB-O 3.44Å; T337-E581 PolarHBondContact N-O 2.79Å; T337-E581 CarbonylContact O-C 3.46Å; T337-E581 WeakPolarHBondContact O-CA 3.22Å; T337-E581 VanDerWaalsContact O-CB 3.3Å; T337-E581 WeakPolarHBondContact O-CB 3.02Å; T337-E581 PolarHBondContact O-N 2.83Å; E581-R583 VanDerWaalsContact C-N 3.34Å; E581-R583 HydrophobicContact CG-CG 4.02Å; E581-R583 PolarHBondContact O-N 2.88Å; E581-R583 IonicContact OE1-CZ 4Å; E581-R583 IonicContact OE1-NE 3.48Å; E581-R583 PolarHBondContact OE1-NE 3.29Å; E581-R583 IonicContact OE1-NH2 3.53Å; E581-R583 PolarHBondContact OE1-NH2 3.49Å; E581-R583 IonicContact OE2-CZ 2.63Å; E581-R583 IonicContact OE2-NE 2.67Å; E581-R583 PolarHBondContact OE2-NE 2.99Å; E581-R583 IonicContact OE2-NH2 2.88Å; E581-R583 PolarHBondContact OE2-NH2 2.91Å
582	V	28.5	Very low	26.4	Very low	0 Å²	0	75 Å²	75	0%	0	41%	0.407	C	S	.	.			trans	-74	84.6	176.6	-165	0	0	0	0	111.4	Y309 F320 F322 L336 V580 V584	Y309-V582 HydrophobicContact CD2-CB 3.9Å; Y309-V582 HydrophobicContact CD2-CG2 3.73Å; Y309-V582 HydrophobicContact CG-CG2 4.09Å; F320-V582 HydrophobicContact CE1-CG2 4.23Å; F320-V582 HydrophobicContact CZ-CG2 4.29Å; F322-V582 HydrophobicContact CZ-CG1 4.37Å; L336-V582 HydrophobicContact CD1-CB 3.82Å; L336-V582 HydrophobicContact CD1-CG1 3.79Å; L336-V582 HydrophobicContact CD1-CG2 3.32Å; V580-V582 HydrophobicContact CG1-CG2 4.24Å; V580-V582 PolarHBondContact O-N 2.7Å; V582-V584 HydrophobicContact CG1-CG2 4.37Å; V582-V584 PolarHBondContact O-N 3.36Å
583	R	23.9	Very low	26.3	Very low	116 Å²	116	72.1 Å²	72.1	44%	0.438	38%	0.384	S	S	.	.			trans	-73.1	94.8	173.3	-65.7	-174.3	178.6	161.7	11.7	111.1	S335 E581 K585	S335-R583 CarbonylContact C-O 3.54Å; S335-R583 VanDerWaalsContact C-O 3.29Å; S335-R583 WeakPolarHBondContact CA-O 3.28Å; S335-R583 WeakPolarHBondContact CB-O 3.48Å; S335-R583 PolarHBondContact N-O 3.04Å; S335-R583 CarbonylContact O-C 3.53Å; S335-R583 PolarHBondContact OG-O 3.27Å; E581-R583 VanDerWaalsContact C-N 3.34Å; E581-R583 HydrophobicContact CG-CG 4.02Å; E581-R583 PolarHBondContact O-N 2.88Å; E581-R583 IonicContact OE1-CZ 4Å; E581-R583 IonicContact OE1-NE 3.48Å; E581-R583 PolarHBondContact OE1-NE 3.29Å; E581-R583 IonicContact OE1-NH2 3.53Å; E581-R583 PolarHBondContact OE1-NH2 3.49Å; E581-R583 IonicContact OE2-CZ 2.63Å; E581-R583 IonicContact OE2-NE 2.67Å; E581-R583 PolarHBondContact OE2-NE 2.99Å; E581-R583 IonicContact OE2-NH2 2.88Å; E581-R583 PolarHBondContact OE2-NH2 2.91Å; R583-K585 PolarHBondContact O-N 3.25Å
584	V	26.3	Very low	26.6	Very low	8 Å²	8	69.9 Å²	69.9	5%	0.048	36%	0.362	C	S	.	.			trans	-72.8	77.1	166.4	-168.5	0	0	0	0	109.4	F322 I334 V582 F586	F322-V584 HydrophobicContact CD1-CG2 4.41Å; F322-V584 HydrophobicContact CE1-CG2 3.63Å; F322-V584 HydrophobicContact CZ-CG2 3.97Å; I334-V584 HydrophobicContact CG1-CG1 4.42Å; I334-V584 HydrophobicContact CG2-CG1 4.28Å; I334-V584 HydrophobicContact CG2-CG2 4.08Å; V582-V584 HydrophobicContact CG1-CG2 4.37Å; V582-V584 PolarHBondContact O-N 3.36Å; V584-F586 HydrophobicContact CG1-CD2 4.32Å; V584-F586 HydrophobicContact CG1-CE2 3.72Å; V584-F586 HydrophobicContact CG1-CZ 4.1Å; V584-F586 PolarHBondContact O-N 3.18Å
585	K	25.8	Very low	27.1	Very low	64 Å²	64	64.2 Å²	64.2	28%	0.278	33%	0.328	S	S	.	.			trans	-82.7	105.4	-176.3	-160.4	-177.3	-176.7	-173.8	0	108.7	H333 R583 V587	H333-K585 PolarHBondContact ND1-O 3.14Å; R583-K585 PolarHBondContact O-N 3.25Å; K585-V587 WeakPolarHBondContact CD-O 3.13Å; K585-V587 HydrophobicContact CG-CB 4.2Å; K585-V587 HydrophobicContact CG-CG2 4.45Å; K585-V587 PolarHBondContact O-N 3.22Å
586	F	29	Very low	27.6	Very low	59 Å²	59	61.2 Å²	61.2	26%	0.259	31%	0.311	S	S	.	.			trans	-77.7	44.9	162.7	-66	-85.3	0	0	0	110.8	Y303 Y305 I331 V584	Y303-F586 WeakPolarHBondContact O-CD2 3.37Å; Y303-F586 WeakPolarHBondContact O-CG 3.39Å; Y305-F586 HydrophobicContact CD2-CE2 4.26Å; I331-F586 HydrophobicContact CG2-CE1 4.48Å; V584-F586 HydrophobicContact CG1-CD2 4.32Å; V584-F586 HydrophobicContact CG1-CE2 3.72Å; V584-F586 HydrophobicContact CG1-CZ 4.1Å; V584-F586 PolarHBondContact O-N 3.18Å
587	V	26	Very low	28	Very low	51 Å²	51	54.8 Å²	54.8	31%	0.309	28%	0.282	S	S	.	.	S	Bend	trans	-147.9	123.9	172.5	-158.8	0	0	0	0	109.9	K585 F590	K585-V587 WeakPolarHBondContact CD-O 3.13Å; K585-V587 HydrophobicContact CG-CB 4.2Å; K585-V587 HydrophobicContact CG-CG2 4.45Å; K585-V587 PolarHBondContact O-N 3.22Å; V587-F590 HydrophobicContact CG1-CE2 3.86Å
588	K	26.2	Very low	28.7	Very low	72 Å²	72	56.8 Å²	56.8	31%	0.313	28%	0.281	S	S	.	.			trans	-54.2	133.9	177.4	-70.8	118.3	159.3	-100.5	0	111.6	R468	R468-K588 HydrophobicContact CB-CB 3.73Å; R468-K588 VanDerWaalsContact CB-O 3.3Å; R468-K588 WeakPolarHBondContact CB-O 3.47Å; R468-K588 HydrophobicContact CG-CB 3.96Å; R468-K588 VanDerWaalsContact CZ-CB 3.47Å; R468-K588 VanDerWaalsContact NH2-CE 3.29Å
589	D	22	Very low	29.3	Very low	93 Å²	93	58.2 Å²	58.2	50%	0.497	29%	0.288	S	S	.	.			trans	-4.8	112.7	167.5	-56.2	-44.4	0	0	0	116.6	K466 R468	K466-D589 WeakPolarHBondContact O-CB 3.4Å; R468-D589 VanDerWaalsContact CB-O 3.3Å; R468-D589 WeakPolarHBondContact CB-O 3.41Å; R468-D589 PolarHBondContact N-O 2.83Å
590	F	25	Very low	30.1	Very low	62 Å²	62	61.1 Å²	61.1	27%	0.272	30%	0.297	S	S	.	.			trans	-114.2	126.7	158.7	-66.2	-78	0	0	0	108.4	I470 V587 Y592	I470-F590 HydrophobicContact CD1-CE1 4.27Å; I470-F590 HydrophobicContact CG1-CD1 4.34Å; I470-F590 HydrophobicContact CG1-CE1 3.52Å; I470-F590 HydrophobicContact CG1-CZ 4.22Å; V587-F590 HydrophobicContact CG1-CE2 3.86Å; F590-Y592 HydrophobicContact CB-CD2 4.01Å; F590-Y592 HydrophobicContact CB-CE1 4.25Å; F590-Y592 HydrophobicContact CB-CE2 3.19Å; F590-Y592 WeakPolarHBondContact CB-OH 3.38Å; F590-Y592 HydrophobicContact CD1-CE1 4.46Å; F590-Y592 AromaticContact CD1-CZ 3.93Å; F590-Y592 VanDerWaalsContact CD1-OH 3.31Å; F590-Y592 WeakPolarHBondContact CD1-OH 3.34Å; F590-Y592 AromaticContact CG-CE2 3.98Å; F590-Y592 HydrophobicContact CG-CE2 3.98Å; F590-Y592 AromaticContact CG-CZ 3.65Å; F590-Y592 WeakPolarHBondContact CG-OH 3.46Å
591	V	24	Very low	30.7	Very low	97 Å²	97	63.6 Å²	63.6	59%	0.588	31%	0.314	S	S	*	.			trans	-107.6	112.7	170.9	-176.7	0	0	0	0	106	I467	I467-V591 HydrophobicContact CD1-CG2 4.46Å; I467-V591 HydrophobicContact CG1-CG2 4.41Å
592	Y	30.8	Very low	31.7	Very low	66 Å²	66	66.3 Å²	66.3	26%	0.259	34%	0.339	S	S	.	.			trans	-104.8	-165.5	173	-41.3	-95.2	0	0	0	110.4	F590 N625 F716	F590-Y592 HydrophobicContact CB-CD2 4.01Å; F590-Y592 HydrophobicContact CB-CE1 4.25Å; F590-Y592 HydrophobicContact CB-CE2 3.19Å; F590-Y592 WeakPolarHBondContact CB-OH 3.38Å; F590-Y592 HydrophobicContact CD1-CE1 4.46Å; F590-Y592 AromaticContact CD1-CZ 3.93Å; F590-Y592 VanDerWaalsContact CD1-OH 3.31Å; F590-Y592 WeakPolarHBondContact CD1-OH 3.34Å; F590-Y592 AromaticContact CG-CE2 3.98Å; F590-Y592 HydrophobicContact CG-CE2 3.98Å; F590-Y592 AromaticContact CG-CZ 3.65Å; F590-Y592 WeakPolarHBondContact CG-OH 3.46Å; Y592-N625 VanDerWaalsContact C-OD1 3.27Å; Y592-N625 VanDerWaalsContact CA-CB 3.43Å; Y592-N625 VanDerWaalsContact CB-CB 3.4Å; Y592-N625 WeakPolarHBondContact CB-O 3.49Å; Y592-N625 HydrophobicContact CD2-CB 4.23Å; Y592-N625 WeakPolarHBondContact CD2-O 3.46Å; Y592-N625 HydrophobicContact CG-CB 4.29Å; Y592-N625 WeakPolarHBondContact O-CB 3.18Å; Y592-N625 PolarHBondContact O-ND2 3.11Å; Y592-N625 PolarHBondContact O-OD1 3.36Å; Y592-F716 HydrophobicContact CD1-CE1 4.24Å
593	I	27	Very low	32.4	Very low	62 Å²	62	68.9 Å²	68.9	32%	0.318	36%	0.357	S	S	.	.			trans	-140.8	134.6	170	-63.5	-177.6	0	0	0	106.4	N625	I593-N625 WeakPolarHBondContact CA-OD1 3.45Å; I593-N625 PolarHBondContact N-OD1 2.89Å
594	P	32.6	Very low	33.3	Very low	47 Å²	47	72.8 Å²	72.8	31%	0.305	38%	0.38	S	S	.	.			trans	-77.4	141.9	179.5	31.9	-29.5	0	0	0	110.5	I623 N625	P594-I623 VanDerWaalsContact CB-O 3.25Å; P594-I623 WeakPolarHBondContact CB-O 3.43Å; P594-I623 WeakPolarHBondContact CG-O 3.01Å; P594-N625 WeakPolarHBondContact CD-OD1 3.4Å
595	V	36.2	Very low	34.2	Very low	6 Å²	6	74.2 Å²	74.2	4%	0.036	39%	0.393	C	S	.	.			trans	-137.3	134.6	178.4	-163.1	0	0	0	0	109.2	F597 T717	V595-F597 HydrophobicContact CB-CD2 4.16Å; V595-F597 HydrophobicContact CB-CE2 3.49Å; V595-F597 VanDerWaalsContact CB-CE2 3.49Å; V595-F597 HydrophobicContact CB-CZ 3.76Å; V595-F597 HydrophobicContact CG1-CD1 4.21Å; V595-F597 HydrophobicContact CG1-CD2 3.95Å; V595-F597 HydrophobicContact CG1-CE1 3.74Å; V595-F597 HydrophobicContact CG1-CE2 3.47Å; V595-F597 VanDerWaalsContact CG1-CE2 3.47Å; V595-F597 HydrophobicContact CG1-CG 4.33Å; V595-F597 HydrophobicContact CG1-CZ 3.36Å; V595-F597 HydrophobicContact CG2-CE2 4.33Å; V595-F597 HydrophobicContact CG2-CZ 4.3Å; V595-T717 HydrophobicContact CB-CG2 4.23Å; V595-T717 HydrophobicContact CG1-CG2 3.65Å; V595-T717 HydrophobicContact CG2-CG2 3.67Å; V595-T717 WeakPolarHBondContact CG2-OG1 3.33Å
596	I	37.2	Very low	35.3	Very low	89 Å²	89	77.6 Å²	77.6	46%	0.456	42%	0.422	S	S	.	.			trans	-104.6	122.7	169	-62.9	174.2	0	0	0	105.9
597	F	38.1	Very low	36.4	Very low	18 Å²	18	76.8 Å²	76.8	8%	0.079	43%	0.43	C	S	.	.			trans	-105.9	137.4	174.7	-61.3	-87.9	0	0	0	109.6	V595 T628 M715 T717 V725	V595-F597 HydrophobicContact CB-CD2 4.16Å; V595-F597 HydrophobicContact CB-CE2 3.49Å; V595-F597 VanDerWaalsContact CB-CE2 3.49Å; V595-F597 HydrophobicContact CB-CZ 3.76Å; V595-F597 HydrophobicContact CG1-CD1 4.21Å; V595-F597 HydrophobicContact CG1-CD2 3.95Å; V595-F597 HydrophobicContact CG1-CE1 3.74Å; V595-F597 HydrophobicContact CG1-CE2 3.47Å; V595-F597 VanDerWaalsContact CG1-CE2 3.47Å; V595-F597 HydrophobicContact CG1-CG 4.33Å; V595-F597 HydrophobicContact CG1-CZ 3.36Å; V595-F597 HydrophobicContact CG2-CE2 4.33Å; V595-F597 HydrophobicContact CG2-CZ 4.3Å; F597-T628 HydrophobicContact CD2-CG2 3.72Å; F597-T628 HydrophobicContact CE2-CG2 3.87Å; F597-M715 HydrophobicContact CD1-CE 3.67Å; F597-M715 HydrophobicContact CD2-CE 3.87Å; F597-M715 HydrophobicContact CE1-CE 3.27Å; F597-M715 HydrophobicContact CE1-SD 3.96Å; F597-M715 HydrophobicContact CE2-CE 3.47Å; F597-M715 VanDerWaalsContact CE2-CE 3.47Å; F597-M715 HydrophobicContact CG-CE 3.93Å; F597-M715 HydrophobicContact CZ-CE 3.14Å; F597-M715 HydrophobicContact CZ-CG 4.29Å; F597-M715 HydrophobicContact CZ-SD 3.98Å; F597-T717 HydrophobicContact CE1-CG2 3.93Å; F597-T717 HydrophobicContact CZ-CG2 3.68Å; F597-V725 HydrophobicContact CD1-CB 4.11Å; F597-V725 HydrophobicContact CD1-CG2 3.77Å; F597-V725 HydrophobicContact CE1-CG2 3.85Å
598	Q	39	Very low	37.6	Very low	142 Å²	142	75 Å²	75	66%	0.664	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-98.9	116.7	160.9	-126	178.6	-14.9	0	0	107.1	L724	Q598-L724 HydrophobicContact CB-CD1 3.34Å; Q598-L724 HydrophobicContact CG-CD1 4.34Å
599	L	39	Very low	38.8	Very low	47 Å²	47	73.8 Å²	73.8	25%	0.246	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-92.6	117	-178.8	-152.3	116.3	0	0	0	109.5	L610 L630 F727	L599-L610 HydrophobicContact CD1-CD2 4.21Å; L599-L610 HydrophobicContact CD2-CB 4.2Å; L599-L610 HydrophobicContact CD2-CD2 3.89Å; L599-L630 HydrophobicContact CD1-CD2 3.37Å; L599-F727 HydrophobicContact CD1-CD2 3.54Å; L599-F727 HydrophobicContact CD1-CE2 3.87Å; L599-F727 HydrophobicContact CD1-CG 4.43Å; L599-F727 HydrophobicContact CG-CD2 4Å
600	Q	43	Very low	40.2	Very low	129 Å²	129	70.2 Å²	70.2	60%	0.603	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-103.2	118.2	162.7	-77.4	-174.1	-15.7	0	0	108.6
601	S	41.8	Very low	41.5	Very low	54 Å²	54	70.8 Å²	70.8	38%	0.378	41%	0.411	S	S	.	.			trans	-122	126.7	175.7	120.5	0	0	0	0	108.8
602	S	43.9	Very low	42.9	Very low	110 Å²	110	68 Å²	68	77%	0.769	40%	0.396	S	S	*	.			trans	-106.3	101.3	167.6	60.2	0	0	0	0	109
603	S	42.9	Very low	43.6	Very low	55 Å²	55	66.9 Å²	66.9	39%	0.385	40%	0.398	S	S	.	.			trans	-83.8	135.8	171	-173.9	0	0	0	0	110.4	A605 Y729	S603-A605 PolarHBondContact OG-N 3.21Å; S603-A605 PolarHBondContact OG-O 3.1Å; S603-Y729 WeakPolarHBondContact CA-OH 3.23Å; S603-Y729 WeakPolarHBondContact CB-OH 3.24Å; S603-Y729 PolarHBondContact OG-OH 3.43Å
604	Q	43.2	Very low	44.5	Very low	198 Å²	198	67 Å²	67	93%	0.925	40%	0.4	S	S	*	.			trans	-107	-6.6	160.7	-68	-167.6	-4.1	0	0	112.7
605	A	45.4	Very low	45	Very low	38 Å²	38	66.8 Å²	66.8	31%	0.314	40%	0.399	S	S	.	.	S	Bend	trans	-102.7	117.2	-172.8	0	0	0	0	0	111.3	S603 G607 L731	S603-A605 PolarHBondContact OG-N 3.21Å; S603-A605 PolarHBondContact OG-O 3.1Å; A605-G607 PolarHBondContact O-N 3.17Å; A605-L731 HydrophobicContact CB-CD2 4.41Å
606	P	49.1	Very low	45.1	Very low	135 Å²	135	72.7 Å²	72.7	88%	0.877	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	131.6	172.1	24.8	-31.7	0	0	0	110.9
607	G	52.1	Low	45	Very low	42 Å²	42	70 Å²	70	43%	0.433	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-0	175	0	0	0	0	0	116.5	A605 T635	A605-G607 PolarHBondContact O-N 3.17Å; G607-T635 WeakPolarHBondContact O-CB 3.38Å; G607-T635 PolarHBondContact O-N 2.85Å; G607-T635 VanDerWaalsContact O-N 3.14Å; G607-T635 PolarHBondContact O-OG1 2.69Å
608	V	50.6	Low	44.7	Very low	13 Å²	13	73.2 Å²	73.2	8%	0.079	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.6	170.6	171.6	0	0	0	0	110.1	L634 L731	V608-L634 HydrophobicContact CB-CD2 4.39Å; V608-L634 HydrophobicContact CG1-CD2 3.71Å; V608-L634 HydrophobicContact CG2-CD2 3.75Å; V608-L731 HydrophobicContact CB-CD2 3.67Å; V608-L731 HydrophobicContact CG1-CD2 4.08Å; V608-L731 HydrophobicContact CG2-CD1 4.41Å; V608-L731 HydrophobicContact CG2-CD2 3.34Å
609	A	51.9	Low	44.3	Very low	46 Å²	46	75.5 Å²	75.5	38%	0.38	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133	175.9	0	0	0	0	0	110.4	T611 T633	A609-T611 HydrophobicContact CB-CG2 3.91Å; A609-T611 PolarHBondContact O-N 2.88Å; A609-T633 PolarHBondContact N-O 3.05Å; A609-T633 PolarHBondContact O-N 3.05Å
610	L	51.3	Low	43.9	Very low	19 Å²	19	81.4 Å²	81.4	10%	0.099	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	93.3	155.1	-118.6	137.4	0	0	0	106.1	L599 L630 L632 F646 L648 Y729	L599-L610 HydrophobicContact CD1-CD2 4.21Å; L599-L610 HydrophobicContact CD2-CB 4.2Å; L599-L610 HydrophobicContact CD2-CD2 3.89Å; L610-L630 HydrophobicContact CD2-CB 4.44Å; L610-L630 HydrophobicContact CD2-CD2 4.49Å; L610-L632 HydrophobicContact CG-CD1 4.33Å; L610-F646 HydrophobicContact CD1-CZ 4.45Å; L610-L648 HydrophobicContact CD1-CD1 4.1Å; L610-Y729 HydrophobicContact CD1-CD1 4.11Å
611	T	53.2	Low	43.2	Very low	73 Å²	73	80.5 Å²	80.5	45%	0.448	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-34	-167	45.3	0	0	0	0	112.7	A609 T633	A609-T611 HydrophobicContact CB-CG2 3.91Å; A609-T611 PolarHBondContact O-N 2.88Å; T611-T633 HydrophobicContact CG2-CG2 4.3Å; T611-T633 PolarHBondContact OG1-OG1 2.83Å
612	S	51.9	Low	42.6	Very low	38 Å²	38	84.6 Å²	84.6	27%	0.266	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	155.1	179.5	59.4	0	0	0	0	111.8	K631	S612-K631 WeakPolarHBondContact O-CB 3.31Å; S612-K631 PolarHBondContact O-N 2.81Å; S612-K631 WeakPolarHBondContact OG-CD 3.49Å
613	S	47.1	Very low	41.9	Very low	43 Å²	43	81.9 Å²	81.9	30%	0.301	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.2	154.1	57.1	0	0	0	0	106.8	S615	S613-S615 PolarHBondContact O-N 3.01Å
614	D	45.4	Very low	41.2	Very low	65 Å²	65	83.2 Å²	83.2	35%	0.348	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	96.2	166.5	-80.4	-32.7	0	0	0	106.9	T629	D614-T629 PolarHBondContact N-O 2.8Å; D614-T629 PolarHBondContact O-N 2.82Å; D614-T629 VanDerWaalsContact O-O 3.05Å; D614-T629 PolarHBondContact O-OG1 3.12Å; D614-T629 VanDerWaalsContact O-OG1 3.11Å
615	S	41.8	Very low	40.9	Very low	42 Å²	42	76 Å²	76	29%	0.294	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.2	156.8	72.2	0	0	0	0	106.3	S613 T617	S613-S615 PolarHBondContact O-N 3.01Å; S615-T617 WeakPolarHBondContact CB-OG1 3.45Å; S615-T617 PolarHBondContact O-N 3.01Å; S615-T617 PolarHBondContact OG-OG1 3.36Å
616	N	39.6	Very low	40.4	Very low	131 Å²	131	75.5 Å²	75.5	70%	0.701	44%	0.442	S	S	*	.			trans	-69.6	29.1	172.5	-80	-27	0	0	0	112.2
617	T	33.8	Very low	40.1	Very low	33 Å²	33	71.9 Å²	71.9	20%	0.202	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-88.3	124.9	175.7	9.2	0	0	0	0	109.7	S615 K619 T626	S615-T617 WeakPolarHBondContact CB-OG1 3.45Å; S615-T617 PolarHBondContact O-N 3.01Å; S615-T617 PolarHBondContact OG-OG1 3.36Å; T617-K619 PolarHBondContact O-N 2.81Å; T617-T626 HydrophobicContact CG2-CG2 4.5Å
618	V	32.5	Very low	40	Very low	85 Å²	85	70 Å²	70	52%	0.515	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.2	125	165.2	-171.5	0	0	0	0	107.7	N620 Q621 I623	V618-N620 PolarHBondContact O-N 3.1Å; V618-Q621 PolarHBondContact O-N 2.82Å; V618-I623 HydrophobicContact CB-CD1 4Å; V618-I623 HydrophobicContact CG2-CD1 3.87Å
619	K	31.3	Very low	40.1	Very low	190 Å²	190	70 Å²	70	83%	0.826	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	136.5	173.3	-86.3	-177.5	175.5	177.1	0	109.8	T617 Q621	T617-K619 PolarHBondContact O-N 2.81Å; K619-Q621 PolarHBondContact O-N 2.86Å
620	N	31	Very low	40.4	Very low	171 Å²	171	67.9 Å²	67.9	91%	0.914	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	13.9	173.2	-57.9	-17.3	0	0	0	117.6	V618	V618-N620 PolarHBondContact O-N 3.1Å
621	Q	28.5	Very low	41	Very low	109 Å²	109	69.4 Å²	69.4	51%	0.509	38%	0.383	S	S	.	.			trans	-114	132.6	168.4	-71.6	-175	-10.7	0	0	111.3	V618 K619 I623	V618-Q621 PolarHBondContact O-N 2.82Å; K619-Q621 PolarHBondContact O-N 2.86Å; Q621-I623 HydrophobicContact CB-CD1 4.07Å; Q621-I623 HydrophobicContact CB-CG1 3.68Å; Q621-I623 PolarHBondContact O-N 3.1Å
622	V	27.5	Very low	41.5	Very low	140 Å²	140	66 Å²	66	85%	0.848	36%	0.362	S	S	*	.			trans	-72.8	79.3	166.5	-177.9	0	0	0	0	106.7
623	I	29.9	Very low	42.1	Very low	53 Å²	53	64.4 Å²	64.4	27%	0.272	35%	0.351	S	S	.	.			trans	-93	118.4	172.5	-53.7	178.7	0	0	0	105.3	P594 V618 Q621 N625	P594-I623 VanDerWaalsContact CB-O 3.25Å; P594-I623 WeakPolarHBondContact CB-O 3.43Å; P594-I623 WeakPolarHBondContact CG-O 3.01Å; V618-I623 HydrophobicContact CB-CD1 4Å; V618-I623 HydrophobicContact CG2-CD1 3.87Å; Q621-I623 HydrophobicContact CB-CD1 4.07Å; Q621-I623 HydrophobicContact CB-CG1 3.68Å; Q621-I623 PolarHBondContact O-N 3.1Å; I623-N625 PolarHBondContact O-N 3.42Å; I623-N625 VanDerWaalsContact O-N 3.1Å
624	P	28.8	Very low	42.9	Very low	84 Å²	84	62.4 Å²	62.4	55%	0.545	34%	0.336	S	S	.	.			trans	-55.3	126.6	169.8	-18.4	31.8	0	0	0	106.7
625	N	36.4	Very low	43.9	Very low	45 Å²	45	61.9 Å²	61.9	24%	0.241	34%	0.336	C	S	.	.			trans	86.5	71.5	131.5	-54.5	-1.4	0	0	0	114.2	Y592 I593 P594 I623	Y592-N625 VanDerWaalsContact C-OD1 3.27Å; Y592-N625 VanDerWaalsContact CA-CB 3.43Å; Y592-N625 VanDerWaalsContact CB-CB 3.4Å; Y592-N625 WeakPolarHBondContact CB-O 3.49Å; Y592-N625 HydrophobicContact CD2-CB 4.23Å; Y592-N625 WeakPolarHBondContact CD2-O 3.46Å; Y592-N625 HydrophobicContact CG-CB 4.29Å; Y592-N625 WeakPolarHBondContact O-CB 3.18Å; Y592-N625 PolarHBondContact O-ND2 3.11Å; Y592-N625 PolarHBondContact O-OD1 3.36Å; I593-N625 WeakPolarHBondContact CA-OD1 3.45Å; I593-N625 PolarHBondContact N-OD1 2.89Å; P594-N625 WeakPolarHBondContact CD-OD1 3.4Å; I623-N625 PolarHBondContact O-N 3.42Å; I623-N625 VanDerWaalsContact O-N 3.1Å
626	T	34.9	Very low	45.1	Very low	29 Å²	29	60 Å²	60	18%	0.178	32%	0.322	C	S	.	.			trans	-115.5	136.5	174.6	51.2	0	0	0	0	112.1	T617 T628	T617-T626 HydrophobicContact CG2-CG2 4.5Å; T626-T628 PolarHBondContact O-N 3.38Å
627	L	43.1	Very low	46.3	Very low	58 Å²	58	60.6 Å²	60.6	30%	0.304	32%	0.319	S	S	.	.			trans	-59.5	115.6	163.8	-162.1	93.8	0	0	0	107	T629 P714 F716	L627-T629 HydrophobicContact CD2-CG2 3.58Å; L627-T629 HydrophobicContact CG-CG2 4.35Å; L627-P714 HydrophobicContact CD1-CB 4.1Å; L627-P714 HydrophobicContact CD2-CB 4.09Å; L627-P714 HydrophobicContact CG-CB 4.25Å; L627-F716 HydrophobicContact CD1-CE1 3.87Å; L627-F716 HydrophobicContact CD1-CE2 4.21Å; L627-F716 HydrophobicContact CD1-CZ 3.5Å; L627-F716 VanDerWaalsContact CD1-CZ 3.5Å
628	T	49.1	Very low	47.8	Very low	2 Å²	2	60.7 Å²	60.7	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123	167.4	-59.1	0	0	0	0	107.5	F597 T626 M715	F597-T628 HydrophobicContact CD2-CG2 3.72Å; F597-T628 HydrophobicContact CE2-CG2 3.87Å; T626-T628 PolarHBondContact O-N 3.38Å; T628-M715 PolarHBondContact O-N 2.91Å; T628-M715 VanDerWaalsContact O-N 3.15Å
629	T	53.2	Low	49.2	Very low	15 Å²	15	60.8 Å²	60.8	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.4	174.5	53.9	0	0	0	0	109.4	D614 L627 K631 Y712 I713	D614-T629 PolarHBondContact N-O 2.8Å; D614-T629 PolarHBondContact O-N 2.82Å; D614-T629 VanDerWaalsContact O-O 3.05Å; D614-T629 PolarHBondContact O-OG1 3.12Å; D614-T629 VanDerWaalsContact O-OG1 3.11Å; L627-T629 HydrophobicContact CD2-CG2 3.58Å; L627-T629 HydrophobicContact CG-CG2 4.35Å; T629-K631 PolarHBondContact O-N 3.37Å; T629-Y712 HydrophobicContact CG2-CD1 4.35Å; T629-Y712 WeakPolarHBondContact OG1-CD1 3.28Å; T629-I713 WeakPolarHBondContact CA-O 3.13Å
630	L	58.1	Low	50.7	Low	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.8	168.6	-65.9	170.5	0	0	0	107.9	L599 L610 L648 Y712 I713 M715 F727	L599-L630 HydrophobicContact CD1-CD2 3.37Å; L610-L630 HydrophobicContact CD2-CB 4.44Å; L610-L630 HydrophobicContact CD2-CD2 4.49Å; L630-L648 HydrophobicContact CD1-CD2 3.87Å; L630-Y712 WeakPolarHBondContact O-CA 3.36Å; L630-I713 HydrophobicContact CB-CB 4.28Å; L630-I713 PolarHBondContact N-O 2.93Å; L630-I713 PolarHBondContact O-N 2.93Å; L630-M715 HydrophobicContact CD1-CE 4.1Å; L630-M715 HydrophobicContact CG-CE 4.33Å; L630-F727 HydrophobicContact CD1-CD1 4.41Å; L630-F727 HydrophobicContact CD1-CE1 3.93Å; L630-F727 HydrophobicContact CD1-CE2 4.31Å; L630-F727 HydrophobicContact CD1-CZ 3.89Å
631	K	63.8	Low	52.1	Low	51 Å²	51	48.6 Å²	48.6	22%	0.222	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	105.9	177.4	-170	-171.7	178.6	-176.9	0	108.5	S612 T629 T710 Y712	S612-K631 WeakPolarHBondContact O-CB 3.31Å; S612-K631 PolarHBondContact O-N 2.81Å; S612-K631 WeakPolarHBondContact OG-CD 3.49Å; T629-K631 PolarHBondContact O-N 3.37Å; K631-T710 HydrophobicContact CD-CG2 4.09Å; K631-T710 HydrophobicContact CG-CG2 3.61Å; K631-Y712 HydrophobicContact CB-CD1 4.44Å; K631-Y712 HydrophobicContact CB-CE1 4.14Å; K631-Y712 HydrophobicContact CG-CE1 4.06Å
632	L	63.2	Low	53.6	Low	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.2	172.6	176.4	67	0	0	0	108.9	L610 L634 F646 L687 T710 L711	L610-L632 HydrophobicContact CG-CD1 4.33Å; L632-L634 HydrophobicContact CD1-CD2 4.39Å; L632-L634 HydrophobicContact CD2-CD1 4.17Å; L632-L634 HydrophobicContact CD2-CD2 4.37Å; L632-L634 HydrophobicContact CD2-CG 4.25Å; L632-L634 HydrophobicContact CG-CD2 4.36Å; L632-L634 HydrophobicContact CG-CG 4.13Å; L632-F646 HydrophobicContact CD1-CD2 4.29Å; L632-F646 HydrophobicContact CD1-CE1 4.48Å; L632-F646 HydrophobicContact CD1-CE2 3.67Å; L632-F646 HydrophobicContact CD1-CZ 3.78Å; L632-F646 HydrophobicContact CD2-CD1 3.72Å; L632-F646 HydrophobicContact CD2-CD2 4.1Å; L632-F646 HydrophobicContact CD2-CE1 3.6Å; L632-F646 HydrophobicContact CD2-CE2 4.01Å; L632-F646 HydrophobicContact CD2-CG 3.95Å; L632-F646 HydrophobicContact CD2-CZ 3.76Å; L632-F646 HydrophobicContact CG-CZ 4.37Å; L632-L687 HydrophobicContact CD2-CD2 4.09Å; L632-T710 CarbonylContact O-C 3.59Å; L632-T710 WeakPolarHBondContact O-CA 3.22Å; L632-L711 HydrophobicContact CB-CB 4.35Å; L632-L711 HydrophobicContact CD2-CD1 4.25Å; L632-L711 PolarHBondContact N-O 2.66Å; L632-L711 PolarHBondContact O-N 2.9Å
633	T	64.6	Low	55.5	Low	4 Å²	4	37.3 Å²	37.3	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.4	175.5	-53	0	0	0	0	109.5	A609 T611 E708 L709	A609-T633 PolarHBondContact N-O 3.05Å; A609-T633 PolarHBondContact O-N 3.05Å; T611-T633 HydrophobicContact CG2-CG2 4.3Å; T611-T633 PolarHBondContact OG1-OG1 2.83Å; T633-E708 HydrophobicContact CG2-CB 3.82Å; T633-E708 HydrophobicContact CG2-CG 3.82Å; T633-L709 WeakPolarHBondContact CA-O 3.1Å
634	L	63.5	Low	57.2	Low	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.3	-178.6	-62.8	161.5	0	0	0	109.1	V608 L632 L687 I689 E708 L709 L711 L731	V608-L634 HydrophobicContact CB-CD2 4.39Å; V608-L634 HydrophobicContact CG1-CD2 3.71Å; V608-L634 HydrophobicContact CG2-CD2 3.75Å; L632-L634 HydrophobicContact CD1-CD2 4.39Å; L632-L634 HydrophobicContact CD2-CD1 4.17Å; L632-L634 HydrophobicContact CD2-CD2 4.37Å; L632-L634 HydrophobicContact CD2-CG 4.25Å; L632-L634 HydrophobicContact CG-CD2 4.36Å; L632-L634 HydrophobicContact CG-CG 4.13Å; L634-L687 HydrophobicContact CD1-CD2 4.27Å; L634-I689 HydrophobicContact CD1-CD1 3.35Å; L634-E708 CarbonylContact O-C 3.43Å; L634-E708 WeakPolarHBondContact O-CA 3.37Å; L634-L709 HydrophobicContact CB-CB 4.25Å; L634-L709 HydrophobicContact CD1-CD2 4.05Å; L634-L709 HydrophobicContact CD1-CG 4.27Å; L634-L709 PolarHBondContact N-O 3.35Å; L634-L709 PolarHBondContact O-N 2.85Å; L634-L711 HydrophobicContact CD1-CD1 4.02Å; L634-L731 HydrophobicContact CD2-CD1 4.33Å
635	T	67.2	Low	59	Low	54 Å²	54	35.5 Å²	35.5	33%	0.331	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.1	175	-47.9	0	0	0	0	110.2	G607 N707	G607-T635 WeakPolarHBondContact O-CB 3.38Å; G607-T635 PolarHBondContact O-N 2.85Å; G607-T635 VanDerWaalsContact O-N 3.14Å; G607-T635 PolarHBondContact O-OG1 2.69Å; T635-N707 WeakPolarHBondContact CA-O 3.31Å; T635-N707 HydrophobicContact CG2-CB 4.39Å; T635-N707 WeakPolarHBondContact CG2-ND2 3.14Å
636	L	66.4	Low	60.4	Low	3 Å²	3	33.5 Å²	33.5	2%	0.016	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-88.7	139.5	-179.3	-64.1	172.8	0	0	0	111.7	I644 L671 A692 N707	L636-I644 HydrophobicContact CD2-CD1 3.35Å; L636-L671 HydrophobicContact CD1-CD1 3.53Å; L636-L671 HydrophobicContact CD1-CD2 3.24Å; L636-L671 HydrophobicContact CD1-CG 4.02Å; L636-A692 HydrophobicContact CD1-CB 4.17Å; L636-A692 HydrophobicContact CD2-CB 4.03Å; L636-N707 PolarHBondContact N-O 3.24Å
637	K	66.4	Low	61.9	Low	143 Å²	143	35.8 Å²	35.8	62%	0.622	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-68.7	133.4	168.9	-70.3	-174.6	178.2	179.3	0	111.1	Q642	K637-Q642 VanDerWaalsContact N-NE2 3.1Å; K637-Q642 PolarHBondContact O-NE2 2.91Å
638	P	65.3	Low	63	Low	36 Å²	36	33 Å²	33	23%	0.234	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-67.1	148.3	174.8	24.2	-29.9	0	0	0	112	V640 Y694 G696 A698	P638-V640 PolarHBondContact O-N 2.85Å; P638-V640 VanDerWaalsContact O-N 3.16Å; P638-Y694 CarbonylContact C-O 3.56Å; P638-Y694 WeakPolarHBondContact CA-O 3.44Å; P638-Y694 HydrophobicContact CB-CD1 3.91Å; P638-Y694 HydrophobicContact CB-CE1 4.21Å; P638-G696 WeakPolarHBondContact CB-O 3.23Å; P638-A698 HydrophobicContact CG-CB 3.84Å
639	N	61	Low	63.7	Low	86 Å²	86	36.9 Å²	36.9	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	25.2	172	-57	-49	0	0	0	115.5	Y693 Y694 G696	N639-Y693 VanDerWaalsContact C-CE2 3.49Å; N639-Y693 PolarHBondContact OD1-OH 3.38Å; N639-Y694 PolarHBondContact N-O 2.95Å; N639-G696 PolarHBondContact ND2-O 3.5Å; N639-G696 VanDerWaalsContact ND2-O 3.16Å
640	V	62.5	Low	64	Low	51 Å²	51	36.1 Å²	36.1	31%	0.309	17%	0.171	S	C	.	.	S	Bend	trans	-138.6	128.2	177.1	-177.4	0	0	0	0	110.2	P638 Q642	P638-V640 PolarHBondContact O-N 2.85Å; P638-V640 VanDerWaalsContact O-N 3.16Å; V640-Q642 PolarHBondContact O-N 2.81Å; V640-Q642 PolarHBondContact O-NE2 3.49Å; V640-Q642 VanDerWaalsContact O-NE2 3.15Å
641	W	60.5	Low	63.8	Low	54 Å²	54	38.8 Å²	38.8	21%	0.205	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.1	171.4	-71.4	93.8	0	0	0	110	Y673 K691 A692 Y693 S735 I736 I738	W641-Y673 AromaticContact CH2-CD2 3.8Å; W641-Y673 HydrophobicContact CH2-CD2 3.8Å; W641-Y673 AromaticContact CH2-CG 3.87Å; W641-Y673 HydrophobicContact CH2-CG 3.87Å; W641-Y673 HydrophobicContact CZ3-CG 4.33Å; W641-K691 HydrophobicContact CE3-CB 3.69Å; W641-K691 HydrophobicContact CZ3-CB 3.69Å; W641-K691 WeakPolarHBondContact CZ3-O 3.38Å; W641-A692 WeakPolarHBondContact CA-O 3.23Å; W641-Y693 AromaticContact CD1-CD2 3.87Å; W641-Y693 AromaticContact CD2-CD2 3.97Å; W641-Y693 HydrophobicContact CD2-CD2 3.97Å; W641-Y693 HydrophobicContact CD2-CG 4.19Å; W641-Y693 AromaticContact CE2-CD2 3.86Å; W641-Y693 AromaticContact CE2-CG 3.99Å; W641-Y693 AromaticContact CG-CD2 3.97Å; W641-Y693 HydrophobicContact CG-CD2 3.97Å; W641-Y693 HydrophobicContact CH2-CG 4.48Å; W641-Y693 HydrophobicContact CZ2-CD2 4.46Å; W641-Y693 HydrophobicContact CZ2-CG 4.15Å; W641-Y693 AromaticContact NE1-CD2 3.78Å; W641-S735 CarbonylContact O-C 3.58Å; W641-S735 VanDerWaalsContact O-CA 3.29Å; W641-S735 WeakPolarHBondContact O-CA 3.05Å; W641-I736 PolarHBondContact O-N 2.76Å; W641-I738 HydrophobicContact CG-CD1 4.39Å
642	Q	60.7	Low	63.3	Low	6 Å²	6	38.1 Å²	38.1	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	-177.8	-72.6	159.1	104.1	0	0	109.8	K637 V640 I644 A692 V733 N734	K637-Q642 VanDerWaalsContact N-NE2 3.1Å; K637-Q642 PolarHBondContact O-NE2 2.91Å; V640-Q642 PolarHBondContact O-N 2.81Å; V640-Q642 PolarHBondContact O-NE2 3.49Å; V640-Q642 VanDerWaalsContact O-NE2 3.15Å; Q642-I644 HydrophobicContact CB-CG1 4.39Å; Q642-A692 PolarHBondContact N-O 2.94Å; Q642-A692 WeakPolarHBondContact O-CB 3.36Å; Q642-A692 PolarHBondContact O-N 2.84Å; Q642-V733 HydrophobicContact CB-CG1 4.17Å; Q642-V733 HydrophobicContact CG-CG1 4Å; Q642-N734 WeakPolarHBondContact CA-O 3.47Å
643	T	66.6	Low	62.4	Low	6 Å²	6	40.9 Å²	40.9	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.2	162	-57.5	0	0	0	0	107.4	Y645 I689 D690 V733 N734	T643-Y645 HydrophobicContact CG2-CD2 4.12Å; T643-Y645 HydrophobicContact CG2-CE2 3.38Å; T643-I689 CarbonylContact C-O 3.5Å; T643-I689 WeakPolarHBondContact CA-O 3.21Å; T643-D690 HydrophobicContact CG2-CB 4.48Å; T643-D690 WeakPolarHBondContact CG2-OD1 3.29Å; T643-D690 PolarHBondContact OG1-OD1 2.82Å; T643-V733 WeakPolarHBondContact O-CA 3.38Å; T643-N734 PolarHBondContact N-O 3.15Å; T643-N734 PolarHBondContact O-N 3Å
644	I	66.8	Low	61.5	Low	3 Å²	3	46.4 Å²	46.4	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120	-177.5	-55.7	178.3	0	0	0	108.9	L636 Q642 I688 I689 L731 T732 V733	L636-I644 HydrophobicContact CD2-CD1 3.35Å; Q642-I644 HydrophobicContact CB-CG1 4.39Å; I644-I688 WeakPolarHBondContact O-CA 3.37Å; I644-I689 HydrophobicContact CB-CB 4.19Å; I644-I689 HydrophobicContact CB-CD1 4.34Å; I644-I689 HydrophobicContact CD1-CD1 4.47Å; I644-I689 PolarHBondContact N-O 3.26Å; I644-I689 PolarHBondContact O-N 3.45Å; I644-L731 HydrophobicContact CG2-CD1 3.45Å; I644-L731 VanDerWaalsContact CG2-CD1 3.45Å; I644-T732 WeakPolarHBondContact CA-O 3.48Å; I644-V733 HydrophobicContact CG1-CG1 4.29Å; I644-V733 HydrophobicContact CG1-CG2 4.24Å; I644-V733 HydrophobicContact CG2-CG2 4.43Å
645	Y	64.9	Low	60.6	Low	97 Å²	97	49.2 Å²	49.2	38%	0.38	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.1	168	-61.2	-88.8	0	0	0	107.9	T643 I688 L731 T732	T643-Y645 HydrophobicContact CG2-CD2 4.12Å; T643-Y645 HydrophobicContact CG2-CE2 3.38Å; Y645-I688 HydrophobicContact CD1-CB 4.39Å; Y645-I688 HydrophobicContact CD1-CD1 4.02Å; Y645-I688 HydrophobicContact CD1-CG1 3.76Å; Y645-I688 HydrophobicContact CD1-CG2 3.97Å; Y645-I688 HydrophobicContact CE1-CB 4.47Å; Y645-I688 HydrophobicContact CE1-CD1 3.91Å; Y645-I688 HydrophobicContact CE1-CG1 4.04Å; Y645-I688 HydrophobicContact CE1-CG2 3.67Å; Y645-L731 CarbonylContact O-C 3.57Å; Y645-L731 VanDerWaalsContact O-CA 3.32Å; Y645-L731 WeakPolarHBondContact O-CA 3.41Å; Y645-T732 PolarHBondContact N-O 3.13Å; Y645-T732 PolarHBondContact O-N 3.01Å
646	F	66.7	Low	59.6	Low	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.2	173.5	173.8	-96	0	0	0	109.3	L610 L632 L648 L687 I713 Y729 L731	L610-F646 HydrophobicContact CD1-CZ 4.45Å; L632-F646 HydrophobicContact CD1-CD2 4.29Å; L632-F646 HydrophobicContact CD1-CE1 4.48Å; L632-F646 HydrophobicContact CD1-CE2 3.67Å; L632-F646 HydrophobicContact CD1-CZ 3.78Å; L632-F646 HydrophobicContact CD2-CD1 3.72Å; L632-F646 HydrophobicContact CD2-CD2 4.1Å; L632-F646 HydrophobicContact CD2-CE1 3.6Å; L632-F646 HydrophobicContact CD2-CE2 4.01Å; L632-F646 HydrophobicContact CD2-CG 3.95Å; L632-F646 HydrophobicContact CD2-CZ 3.76Å; L632-F646 HydrophobicContact CG-CZ 4.37Å; F646-L648 HydrophobicContact CE1-CB 3.58Å; F646-L648 HydrophobicContact CZ-CB 3.81Å; F646-L648 HydrophobicContact CZ-CD1 4.16Å; F646-L648 HydrophobicContact CZ-CG 4.45Å; F646-L687 HydrophobicContact CB-CB 4.17Å; F646-L687 HydrophobicContact CB-CD2 4.16Å; F646-L687 HydrophobicContact CD1-CB 4.05Å; F646-L687 HydrophobicContact CD1-CD2 4.33Å; F646-L687 PolarHBondContact N-O 2.93Å; F646-L687 PolarHBondContact O-N 2.84Å; F646-I713 HydrophobicContact CE1-CD1 4.04Å; F646-Y729 HydrophobicContact CD2-CD2 4.34Å; F646-Y729 AromaticContact CE2-CD2 3.85Å; F646-Y729 HydrophobicContact CE2-CD2 3.85Å; F646-Y729 AromaticContact CE2-CG 3.9Å; F646-Y729 HydrophobicContact CE2-CG 3.9Å; F646-L731 HydrophobicContact CB-CD1 4.24Å; F646-L731 HydrophobicContact CD2-CD1 4.3Å
647	Q	65.5	Low	59	Low	77 Å²	77	50 Å²	50	36%	0.36	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.9	173.5	-65.5	-179	-30.2	0	0	107.6	V685 Y686 Y729 N730	Q647-V685 WeakPolarHBondContact CA-O 3.5Å; Q647-Y686 HydrophobicContact CG-CD1 3.81Å; Q647-Y686 HydrophobicContact CG-CE1 4.08Å; Q647-Y729 CarbonylContact O-C 3.51Å; Q647-Y729 WeakPolarHBondContact O-CA 3.3Å; Q647-Y729 VanDerWaalsContact O-CB 3.29Å; Q647-Y729 WeakPolarHBondContact O-CB 3.38Å; Q647-N730 HydrophobicContact CB-CB 4.29Å; Q647-N730 PolarHBondContact N-O 3.06Å; Q647-N730 PolarHBondContact O-N 3.27Å
648	L	66.7	Low	58.2	Low	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.7	170	-176.3	67.5	0	0	0	108.4	L610 L630 F646 L659 M684 V685 I713 F727	L610-L648 HydrophobicContact CD1-CD1 4.1Å; L630-L648 HydrophobicContact CD1-CD2 3.87Å; F646-L648 HydrophobicContact CE1-CB 3.58Å; F646-L648 HydrophobicContact CZ-CB 3.81Å; F646-L648 HydrophobicContact CZ-CD1 4.16Å; F646-L648 HydrophobicContact CZ-CG 4.45Å; L648-L659 HydrophobicContact CD2-CD1 4.44Å; L648-L659 HydrophobicContact CD2-CD2 4.47Å; L648-M684 WeakPolarHBondContact O-CA 3.49Å; L648-V685 HydrophobicContact CB-CB 4.39Å; L648-V685 PolarHBondContact N-O 2.66Å; L648-V685 PolarHBondContact O-N 2.91Å; L648-I713 HydrophobicContact CD2-CD1 3.87Å; L648-F727 HydrophobicContact CD1-CB 3.86Å; L648-F727 HydrophobicContact CD1-CD1 3.84Å; L648-F727 HydrophobicContact CD1-CG 4.18Å; L648-F727 HydrophobicContact CD2-CD1 4.09Å; L648-F727 HydrophobicContact CD2-CE1 4.42Å; L648-F727 HydrophobicContact CG-CD1 3.96Å
649	Y	63.5	Low	57.7	Low	83 Å²	83	44.1 Å²	44.1	33%	0.325	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136	174.9	176	-114.2	0	0	0	109.3	P651 N683 M684 T728	Y649-P651 HydrophobicContact CD1-CB 4.31Å; Y649-P651 HydrophobicContact CD1-CG 3.74Å; Y649-P651 HydrophobicContact CE1-CB 3.67Å; Y649-P651 HydrophobicContact CE1-CG 3.61Å; Y649-N683 VanDerWaalsContact CE2-ND2 3.27Å; Y649-N683 WeakPolarHBondContact CE2-ND2 3.46Å; Y649-M684 HydrophobicContact CD2-CG 3.41Å; Y649-M684 VanDerWaalsContact CD2-CG 3.41Å; Y649-M684 HydrophobicContact CD2-SD 4.03Å; Y649-M684 HydrophobicContact CE2-CG 4.29Å; Y649-M684 HydrophobicContact CG-CG 4.15Å; Y649-M684 HydrophobicContact CG-SD 4.41Å; Y649-T728 CarbonylContact C-O 3.59Å; Y649-T728 WeakPolarHBondContact CA-O 3.46Å; Y649-T728 PolarHBondContact N-O 2.91Å; Y649-T728 CarbonylContact O-C 3.57Å; Y649-T728 PolarHBondContact O-N 2.82Å
650	A	60.3	Low	57.4	Low	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.			trans	-105.1	112.4	166.5	0	0	0	0	0	108.3	G652 Y657 N683 V725 F727	A650-G652 PolarHBondContact O-N 3.09Å; A650-Y657 VanDerWaalsContact C-OH 3.29Å; A650-Y657 HydrophobicContact CB-CD2 4.29Å; A650-Y657 HydrophobicContact CB-CE1 4.36Å; A650-Y657 HydrophobicContact CB-CE2 3.35Å; A650-Y657 WeakPolarHBondContact CB-OH 3.42Å; A650-Y657 PolarHBondContact O-OH 2.91Å; A650-N683 PolarHBondContact N-O 3.21Å; A650-V725 HydrophobicContact CB-CG1 3.64Å; A650-F727 HydrophobicContact CB-CD1 3.78Å; A650-F727 HydrophobicContact CB-CE1 3.68Å; A650-F727 HydrophobicContact CB-CZ 4.46Å
651	P	54.2	Low	56.9	Low	57 Å²	57	43.7 Å²	43.7	37%	0.37	22%	0.215	S	C	.	.			trans	-71.7	113.9	168.7	-7.4	23.6	0	0	0	108.5	Y649 N726 T728	Y649-P651 HydrophobicContact CD1-CB 4.31Å; Y649-P651 HydrophobicContact CD1-CG 3.74Å; Y649-P651 HydrophobicContact CE1-CB 3.67Å; Y649-P651 HydrophobicContact CE1-CG 3.61Å; P651-N726 WeakPolarHBondContact CD-O 3.36Å; P651-T728 WeakPolarHBondContact CG-OG1 3.23Å
652	G	51.9	Low	56.6	Low	37 Å²	37	41.6 Å²	41.6	38%	0.381	21%	0.208	S	C	.	.	S	Bend	trans	169.6	160.5	179.3	0	0	0	0	0	111	A650 Y654 Y657	A650-G652 PolarHBondContact O-N 3.09Å; G652-Y654 PolarHBondContact O-N 2.82Å; G652-Y657 WeakPolarHBondContact CA-OH 3.43Å; G652-Y657 PolarHBondContact N-OH 3.35Å; G652-Y657 PolarHBondContact O-OH 2.74Å
653	A	45	Very low	56.1	Low	60 Å²	60	45.1 Å²	45.1	50%	0.496	23%	0.226	S	C	.	.			trans	-57.8	126.6	-175.7	0	0	0	0	0	110.8	Q655 E656	A653-Q655 PolarHBondContact O-N 2.95Å; A653-E656 PolarHBondContact O-N 2.89Å
654	Y	45.6	Very low	55.3	Low	120 Å²	120	48.7 Å²	48.7	47%	0.471	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	5.3	174.9	-65.9	-86.4	0	0	0	116.4	R432 G652 E682 N683	R432-Y654 PolarHBondContact NH2-O 2.94Å; G652-Y654 PolarHBondContact O-N 2.82Å; Y654-E682 HydrophobicContact CD1-CB 4.34Å; Y654-E682 HydrophobicContact CE1-CB 4.16Å; Y654-E682 WeakPolarHBondContact CE1-OE2 3.33Å; Y654-N683 WeakPolarHBondContact CE1-ND2 3.48Å
655	Q	44.9	Very low	54.2	Low	58 Å²	58	54 Å²	54	27%	0.271	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-22.9	-179.6	-62.4	-169.7	3.9	0	0	112.4	A390 A653 A718	A390-Q655 PolarHBondContact O-NE2 2.97Å; A653-Q655 PolarHBondContact O-N 2.95Å; Q655-A718 VanDerWaalsContact O-CB 3.32Å; Q655-A718 WeakPolarHBondContact O-CB 3.09Å
656	E	47.1	Very low	53.1	Low	65 Å²	65	52 Å²	52	30%	0.304	27%	0.272	S	S	.	.	S	Bend	trans	-101.4	-24.7	-164.7	-65.5	-177.3	165.9	0	0	113.5	A653 T717 A718 P723	A653-E656 PolarHBondContact O-N 2.89Å; E656-T717 CarbonylContact O-C 3.54Å; E656-T717 WeakPolarHBondContact O-CA 3.42Å; E656-T717 WeakPolarHBondContact O-CB 3.45Å; E656-T717 WeakPolarHBondContact O-CG2 3.28Å; E656-A718 PolarHBondContact O-N 2.71Å; E656-P723 HydrophobicContact CB-CB 4.45Å; E656-P723 HydrophobicContact CB-CG 4.44Å; E656-P723 WeakPolarHBondContact OE2-CB 3.38Å
657	Y	52.2	Low	51.8	Low	9 Å²	9	60.1 Å²	60.1	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.9	-178.9	52.8	-91.9	0	0	0	115	A650 G652 N683 F716 V725	A650-Y657 VanDerWaalsContact C-OH 3.29Å; A650-Y657 HydrophobicContact CB-CD2 4.29Å; A650-Y657 HydrophobicContact CB-CE1 4.36Å; A650-Y657 HydrophobicContact CB-CE2 3.35Å; A650-Y657 WeakPolarHBondContact CB-OH 3.42Å; A650-Y657 PolarHBondContact O-OH 2.91Å; G652-Y657 WeakPolarHBondContact CA-OH 3.43Å; G652-Y657 PolarHBondContact N-OH 3.35Å; G652-Y657 PolarHBondContact O-OH 2.74Å; Y657-N683 HydrophobicContact CE2-CB 3.84Å; Y657-F716 CarbonylContact C-O 3.54Å; Y657-F716 WeakPolarHBondContact CA-O 3.41Å; Y657-F716 VanDerWaalsContact CB-O 3.29Å; Y657-F716 WeakPolarHBondContact CB-O 3.45Å; Y657-V725 HydrophobicContact CD1-CG1 4.29Å; Y657-V725 HydrophobicContact CD1-CG2 3.88Å; Y657-V725 HydrophobicContact CE1-CG1 3.92Å; Y657-V725 HydrophobicContact CE1-CG2 4.04Å
658	I	51.3	Low	50.8	Low	53 Å²	53	58.6 Å²	58.6	27%	0.272	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.1	171.7	-57.1	173.4	0	0	0	106.5	I489 V660 F716	I489-I658 HydrophobicContact CD1-CD1 3.75Å; I489-I658 HydrophobicContact CD1-CG1 4.04Å; I489-I658 HydrophobicContact CG1-CD1 3.96Å; I658-V660 HydrophobicContact CG2-CG2 4.4Å; I658-F716 HydrophobicContact CB-CB 4.49Å; I658-F716 PolarHBondContact N-O 3.32Å; I658-F716 PolarHBondContact O-N 3.37Å
659	L	54.8	Low	49.6	Very low	2 Å²	2	64.6 Å²	64.6	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.6	166.1	-68.4	170.3	0	0	0	108.6	L648 S680 E682 N683 V685 I713 M715 F727	L648-L659 HydrophobicContact CD2-CD1 4.44Å; L648-L659 HydrophobicContact CD2-CD2 4.47Å; L659-S680 WeakPolarHBondContact O-CB 3.33Å; L659-E682 PolarHBondContact N-O 3.25Å; L659-N683 WeakPolarHBondContact CD1-O 3.1Å; L659-V685 HydrophobicContact CB-CG2 3.46Å; L659-V685 VanDerWaalsContact CB-CG2 3.46Å; L659-V685 HydrophobicContact CD1-CB 4.34Å; L659-V685 HydrophobicContact CD1-CG2 3.94Å; L659-V685 HydrophobicContact CG-CG2 4.2Å; L659-I713 HydrophobicContact CD2-CG2 4.35Å; L659-M715 HydrophobicContact CD2-CB 4.07Å; L659-M715 HydrophobicContact CD2-CG 3.87Å; L659-M715 HydrophobicContact CD2-SD 3.77Å; L659-F727 HydrophobicContact CD2-CE1 4.34Å
660	V	53.4	Low	48.7	Very low	25 Å²	25	62.7 Å²	62.7	15%	0.152	34%	0.34	C	S	.	.			trans	-104.2	157.6	175.4	-174.6	0	0	0	0	109	I658 P714 F716	I658-V660 HydrophobicContact CG2-CG2 4.4Å; V660-P714 HydrophobicContact CB-CB 4.21Å; V660-P714 HydrophobicContact CB-CG 4.32Å; V660-P714 PolarHBondContact N-O 2.73Å; V660-F716 HydrophobicContact CB-CE2 4.35Å; V660-F716 HydrophobicContact CG2-CD2 3.4Å; V660-F716 HydrophobicContact CG2-CE2 3.41Å; V660-F716 VanDerWaalsContact CG2-CE2 3.41Å
661	R	51.6	Low	48	Very low	103 Å²	103	63.1 Å²	63.1	39%	0.389	34%	0.343	S	S	.	.			trans	-43.1	125.4	171.4	-173.6	176.9	-107.3	178.9	-3.9	110.3	S678 S680 P714	R661-S678 WeakPolarHBondContact CG-OG 3.39Å; R661-S678 PolarHBondContact NE-O 2.71Å; R661-S678 PolarHBondContact NH2-O 2.66Å; R661-S680 PolarHBondContact N-OG 2.98Å; R661-P714 WeakPolarHBondContact O-CD 3.04Å
662	P	55.1	Low	47.6	Very low	11 Å²	11	64.6 Å²	64.6	7%	0.071	35%	0.35	C	S	.	.			trans	-50.6	137.7	175.5	-28.5	31.2	0	0	0	112.7	V685 I713	P662-V685 HydrophobicContact CG-CG1 3.36Å; P662-I713 HydrophobicContact CB-CG1 4.22Å; P662-I713 HydrophobicContact CG-CG1 4.13Å; P662-I713 HydrophobicContact CG-CG2 4.41Å
663	I	50.4	Low	47.2	Very low	79 Å²	79	67.6 Å²	67.6	41%	0.405	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-104.1	127.9	173.2	-56.3	174.8	0	0	0	108.1	L665 Y712 P714	I663-L665 HydrophobicContact CG2-CD2 3.93Å; I663-L665 HydrophobicContact CG2-CG 4.15Å; I663-L665 PolarHBondContact O-N 3.38Å; I663-Y712 PolarHBondContact N-O 3.09Å; I663-Y712 PolarHBondContact O-N 2.73Å; I663-Y712 VanDerWaalsContact O-O 3.06Å; I663-P714 HydrophobicContact CD1-CG 3.69Å; I663-P714 HydrophobicContact CG1-CG 3.76Å
664	I	49.2	Very low	47.4	Very low	81 Å²	81	66.6 Å²	66.6	42%	0.415	34%	0.337	S	S	.	.			trans	-84.6	105.4	172.1	-55.7	158.6	0	0	0	106.9	I676 L711	I664-I676 HydrophobicContact CD1-CB 3.99Å; I664-I676 HydrophobicContact CD1-CD1 3.53Å; I664-I676 HydrophobicContact CD1-CG1 4.22Å; I664-I676 HydrophobicContact CD1-CG2 4.15Å; I664-I676 HydrophobicContact CG1-CD1 4.03Å; I664-L711 HydrophobicContact CB-CD2 4.43Å; I664-L711 HydrophobicContact CG1-CD2 3.71Å; I664-L711 HydrophobicContact CG2-CD2 4.49Å
665	L	44.5	Very low	47.6	Very low	116 Å²	116	63.8 Å²	63.8	61%	0.607	34%	0.335	S	S	*	.			trans	-91.8	-33.8	-178.9	-72.7	174.6	0	0	0	113.5	I663 Y712	I663-L665 HydrophobicContact CG2-CD2 3.93Å; I663-L665 HydrophobicContact CG2-CG 4.15Å; I663-L665 PolarHBondContact O-N 3.38Å; L665-Y712 HydrophobicContact CB-CD2 3.92Å; L665-Y712 HydrophobicContact CB-CE2 4.4Å; L665-Y712 HydrophobicContact CD1-CD2 3.7Å; L665-Y712 HydrophobicContact CD1-CE2 4.35Å; L665-Y712 HydrophobicContact CD1-CG 3.81Å; L665-Y712 HydrophobicContact CG-CD2 4.18Å
666	S	41.5	Very low	48	Very low	54 Å²	54	62.7 Å²	62.7	38%	0.378	33%	0.33	S	S	.	.	S	Bend	trans	-102.6	121.6	178.9	57.6	0	0	0	0	110.1	L668	S666-L668 PolarHBondContact O-N 3.1Å
667	Q	39.6	Very low	48.4	Very low	172 Å²	172	64.7 Å²	64.7	80%	0.804	34%	0.343	S	S	*	.			trans	-53.2	128	170.5	-76.8	-175.9	-21.4	0	0	109.5	T669	Q667-T669 HydrophobicContact CB-CG2 4.11Å; Q667-T669 PolarHBondContact O-N 3.21Å
668	L	43.5	Very low	48.7	Very low	46 Å²	46	65.2 Å²	65.2	24%	0.241	35%	0.348	C	S	.	.			trans	-65.6	62.8	173.8	-76.5	159.1	0	0	0	110.6	S666 S670 L671 I674 I676 L709	S666-L668 PolarHBondContact O-N 3.1Å; L668-S670 VanDerWaalsContact C-N 3.26Å; L668-S670 PolarHBondContact O-N 3.23Å; L668-L671 HydrophobicContact CB-CB 4.27Å; L668-L671 HydrophobicContact CD2-CB 4.05Å; L668-L671 HydrophobicContact CD2-CD1 3.47Å; L668-L671 VanDerWaalsContact CD2-CD1 3.47Å; L668-L671 HydrophobicContact CD2-CG 4.34Å; L668-L671 PolarHBondContact O-N 2.85Å; L668-I674 HydrophobicContact CD1-CB 3.98Å; L668-I674 HydrophobicContact CD1-CD1 4.1Å; L668-I674 HydrophobicContact CD1-CG2 3.55Å; L668-I674 HydrophobicContact CD2-CD1 3.72Å; L668-I676 HydrophobicContact CD1-CD1 3.94Å; L668-L709 HydrophobicContact CD2-CB 4.46Å; L668-L709 HydrophobicContact CD2-CD1 3.33Å; L668-L709 HydrophobicContact CD2-CD2 4.23Å; L668-L709 HydrophobicContact CD2-CG 4.19Å; L668-L709 HydrophobicContact CG-CD1 4.18Å
669	T	42.4	Very low	48.9	Very low	125 Å²	125	66.6 Å²	66.6	77%	0.767	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.6	-172.7	52.1	0	0	0	0	112.7	Q667	Q667-T669 HydrophobicContact CB-CG2 4.11Å; Q667-T669 PolarHBondContact O-N 3.21Å
670	S	44.3	Very low	49	Very low	44 Å²	44	67.9 Å²	67.9	31%	0.308	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.6	178.2	60.8	0	0	0	0	114.5	L668 A706	L668-S670 VanDerWaalsContact C-N 3.26Å; L668-S670 PolarHBondContact O-N 3.23Å; S670-A706 PolarHBondContact OG-O 2.93Å
671	L	45.5	Very low	49.1	Very low	9 Å²	9	71.1 Å²	71.1	5%	0.047	38%	0.382	C	S	.	.			trans	-115.6	95.5	-173.6	-71.5	159.8	0	0	0	109	L636 L668 Y673 I674 Y693 Y694 L709	L636-L671 HydrophobicContact CD1-CD1 3.53Å; L636-L671 HydrophobicContact CD1-CD2 3.24Å; L636-L671 HydrophobicContact CD1-CG 4.02Å; L668-L671 HydrophobicContact CB-CB 4.27Å; L668-L671 HydrophobicContact CD2-CB 4.05Å; L668-L671 HydrophobicContact CD2-CD1 3.47Å; L668-L671 VanDerWaalsContact CD2-CD1 3.47Å; L668-L671 HydrophobicContact CD2-CG 4.34Å; L668-L671 PolarHBondContact O-N 2.85Å; L671-Y673 PolarHBondContact O-N 2.71Å; L671-Y673 VanDerWaalsContact O-N 3.13Å; L671-I674 HydrophobicContact CB-CD1 3.94Å; L671-I674 HydrophobicContact CB-CG1 4.28Å; L671-I674 HydrophobicContact CD1-CD1 3.71Å; L671-I674 HydrophobicContact CG-CD1 4.24Å; L671-Y693 WeakPolarHBondContact CD2-O 3.46Å; L671-Y694 HydrophobicContact CD2-CD2 4.31Å; L671-L709 HydrophobicContact CD1-CB 4.3Å
672	T	44.7	Very low	49.3	Very low	87 Å²	87	72 Å²	72	53%	0.534	39%	0.39	S	S	.	.	S	Bend	trans	-61.6	-24	-172.5	-16.6	0	0	0	0	112.9
673	Y	45.4	Very low	49.5	Very low	100 Å²	100	71.8 Å²	71.8	39%	0.392	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	111.9	-177	-58.9	-78.1	0	0	0	110.8	W641 L671 A692	W641-Y673 AromaticContact CH2-CD2 3.8Å; W641-Y673 HydrophobicContact CH2-CD2 3.8Å; W641-Y673 AromaticContact CH2-CG 3.87Å; W641-Y673 HydrophobicContact CH2-CG 3.87Å; W641-Y673 HydrophobicContact CZ3-CG 4.33Å; L671-Y673 PolarHBondContact O-N 2.71Å; L671-Y673 VanDerWaalsContact O-N 3.13Å; Y673-A692 WeakPolarHBondContact O-CA 3.3Å
674	I	48	Very low	50	Low	39 Å²	39	70.7 Å²	70.7	20%	0.2	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	125.5	171	-88.5	-170.4	0	0	0	108.8	L668 L671 I676 I689 A692 L709	L668-I674 HydrophobicContact CD1-CB 3.98Å; L668-I674 HydrophobicContact CD1-CD1 4.1Å; L668-I674 HydrophobicContact CD1-CG2 3.55Å; L668-I674 HydrophobicContact CD2-CD1 3.72Å; L671-I674 HydrophobicContact CB-CD1 3.94Å; L671-I674 HydrophobicContact CB-CG1 4.28Å; L671-I674 HydrophobicContact CD1-CD1 3.71Å; L671-I674 HydrophobicContact CG-CD1 4.24Å; I674-I676 HydrophobicContact CG2-CD1 3.58Å; I674-I676 HydrophobicContact CG2-CG1 3.2Å; I674-I689 HydrophobicContact CB-CG2 4.47Å; I674-I689 HydrophobicContact CD1-CG2 3.87Å; I674-I689 HydrophobicContact CG1-CG2 3.89Å; I674-I689 HydrophobicContact CG2-CG2 4.02Å; I674-A692 HydrophobicContact CD1-CB 4.13Å; I674-A692 HydrophobicContact CG1-CB 3.88Å; I674-L709 HydrophobicContact CD1-CD2 3.99Å
675	S	49.7	Very low	50.7	Low	62 Å²	62	66.9 Å²	66.9	43%	0.434	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.9	163.2	-177.4	0	0	0	0	108.3	I689 D690	S675-I689 CarbonylContact O-C 3.56Å; S675-I689 WeakPolarHBondContact O-CA 3.45Å; S675-D690 PolarHBondContact N-O 3.3Å; S675-D690 VanDerWaalsContact N-O 3.08Å; S675-D690 PolarHBondContact O-N 2.98Å
676	I	53.3	Low	51.7	Low	34 Å²	34	64.7 Å²	64.7	17%	0.174	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.3	176.1	-56.1	-178	0	0	0	108.4	I664 L668 I674 L687 I688 I689 L711	I664-I676 HydrophobicContact CD1-CB 3.99Å; I664-I676 HydrophobicContact CD1-CD1 3.53Å; I664-I676 HydrophobicContact CD1-CG1 4.22Å; I664-I676 HydrophobicContact CD1-CG2 4.15Å; I664-I676 HydrophobicContact CG1-CD1 4.03Å; L668-I676 HydrophobicContact CD1-CD1 3.94Å; I674-I676 HydrophobicContact CG2-CD1 3.58Å; I674-I676 HydrophobicContact CG2-CG1 3.2Å; I676-L687 HydrophobicContact CG2-CD1 3.4Å; I676-L687 HydrophobicContact CG2-CG 4.46Å; I676-I688 WeakPolarHBondContact CA-O 3.39Å; I676-I689 HydrophobicContact CG1-CG1 4.23Å; I676-L711 HydrophobicContact CD1-CD2 4.23Å
677	N	54.9	Low	52.9	Low	108 Å²	108	62.3 Å²	62.3	58%	0.578	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.9	162	-78.8	-43.4	0	0	0	108.2	I688	N677-I688 HydrophobicContact CB-CB 4.48Å; N677-I688 PolarHBondContact N-O 2.92Å; N677-I688 PolarHBondContact O-N 2.65Å
678	S	59.1	Low	54	Low	20 Å²	20	57 Å²	57	14%	0.14	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148	173.6	67.3	0	0	0	0	110.5	R661 Y686	R661-S678 WeakPolarHBondContact CG-OG 3.39Å; R661-S678 PolarHBondContact NE-O 2.71Å; R661-S678 PolarHBondContact NH2-O 2.66Å; S678-Y686 CarbonylContact C-O 3.56Å; S678-Y686 WeakPolarHBondContact CA-O 3.36Å; S678-Y686 WeakPolarHBondContact CB-O 3.03Å
679	D	55.5	Low	55.2	Low	81 Å²	81	54.8 Å²	54.8	43%	0.433	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.6	174.4	-153.2	-10.1	0	0	0	108.9	V685 Y686	D679-V685 WeakPolarHBondContact O-CA 3.46Å; D679-Y686 PolarHBondContact N-O 3.12Å; D679-Y686 PolarHBondContact O-N 2.98Å
680	S	56.3	Low	56.1	Low	30 Å²	30	51.4 Å²	51.4	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.4	176.9	58.1	0	0	0	0	109.1	L659 R661 M684	L659-S680 WeakPolarHBondContact O-CB 3.33Å; R661-S680 PolarHBondContact N-OG 2.98Å; S680-M684 CarbonylContact C-O 3.53Å; S680-M684 WeakPolarHBondContact CA-O 3.25Å
681	L	56.1	Low	56.9	Low	93 Å²	93	55.3 Å²	55.3	49%	0.487	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	104.6	175.5	-146.9	116.9	0	0	0	108.1	N683 M684 Y686	L681-N683 PolarHBondContact O-N 3.17Å; L681-M684 PolarHBondContact N-O 3.23Å; L681-M684 PolarHBondContact O-N 3.45Å; L681-Y686 HydrophobicContact CB-CE2 4.28Å
682	E	56.1	Low	57.8	Low	121 Å²	121	54.9 Å²	54.9	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	-92.6	177.4	-54.1	-178.6	159.1	0	0	113.7	Y654 L659	Y654-E682 HydrophobicContact CD1-CB 4.34Å; Y654-E682 HydrophobicContact CE1-CB 4.16Å; Y654-E682 WeakPolarHBondContact CE1-OE2 3.33Å; L659-E682 PolarHBondContact N-O 3.25Å
683	N	58.4	Low	58.6	Low	7 Å²	7	53 Å²	53	4%	0.037	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	12.6	-179.4	59.4	-8.6	0	0	0	113.4	Y649 A650 Y654 Y657 L659 L681	Y649-N683 VanDerWaalsContact CE2-ND2 3.27Å; Y649-N683 WeakPolarHBondContact CE2-ND2 3.46Å; A650-N683 PolarHBondContact N-O 3.21Å; Y654-N683 WeakPolarHBondContact CE1-ND2 3.48Å; Y657-N683 HydrophobicContact CE2-CB 3.84Å; L659-N683 WeakPolarHBondContact CD1-O 3.1Å; L681-N683 PolarHBondContact O-N 3.17Å
684	M	61	Low	59.3	Low	56 Å²	56	49.2 Å²	49.2	28%	0.276	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.1	172.1	-78	-149.7	-87.2	0	0	112.1	L648 Y649 S680 L681 Y686	L648-M684 WeakPolarHBondContact O-CA 3.49Å; Y649-M684 HydrophobicContact CD2-CG 3.41Å; Y649-M684 VanDerWaalsContact CD2-CG 3.41Å; Y649-M684 HydrophobicContact CD2-SD 4.03Å; Y649-M684 HydrophobicContact CE2-CG 4.29Å; Y649-M684 HydrophobicContact CG-CG 4.15Å; Y649-M684 HydrophobicContact CG-SD 4.41Å; S680-M684 CarbonylContact C-O 3.53Å; S680-M684 WeakPolarHBondContact CA-O 3.25Å; L681-M684 PolarHBondContact N-O 3.23Å; L681-M684 PolarHBondContact O-N 3.45Å; M684-Y686 HydrophobicContact CB-CE2 3.83Å; M684-Y686 WeakPolarHBondContact CE-OH 3.43Å; M684-Y686 HydrophobicContact SD-CE1 4.4Å
685	V	65.1	Low	59.7	Low	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.9	165.8	161.8	0	0	0	0	108.6	Q647 L648 L659 P662 D679 I713	Q647-V685 WeakPolarHBondContact CA-O 3.5Å; L648-V685 HydrophobicContact CB-CB 4.39Å; L648-V685 PolarHBondContact N-O 2.66Å; L648-V685 PolarHBondContact O-N 2.91Å; L659-V685 HydrophobicContact CB-CG2 3.46Å; L659-V685 VanDerWaalsContact CB-CG2 3.46Å; L659-V685 HydrophobicContact CD1-CB 4.34Å; L659-V685 HydrophobicContact CD1-CG2 3.94Å; L659-V685 HydrophobicContact CG-CG2 4.2Å; P662-V685 HydrophobicContact CG-CG1 3.36Å; D679-V685 WeakPolarHBondContact O-CA 3.46Å; V685-I713 HydrophobicContact CG1-CD1 4.27Å; V685-I713 HydrophobicContact CG1-CG2 4.33Å; V685-I713 HydrophobicContact CG2-CG2 4.04Å
686	Y	65.2	Low	60	Low	71 Å²	71	51.2 Å²	51.2	28%	0.278	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.3	172.1	-57.1	-86.6	0	0	0	108.2	Q647 S678 D679 L681 M684	Q647-Y686 HydrophobicContact CG-CD1 3.81Å; Q647-Y686 HydrophobicContact CG-CE1 4.08Å; S678-Y686 CarbonylContact C-O 3.56Å; S678-Y686 WeakPolarHBondContact CA-O 3.36Å; S678-Y686 WeakPolarHBondContact CB-O 3.03Å; D679-Y686 PolarHBondContact N-O 3.12Å; D679-Y686 PolarHBondContact O-N 2.98Å; L681-Y686 HydrophobicContact CB-CE2 4.28Å; M684-Y686 HydrophobicContact CB-CE2 3.83Å; M684-Y686 WeakPolarHBondContact CE-OH 3.43Å; M684-Y686 HydrophobicContact SD-CE1 4.4Å
687	L	65.8	Low	60	Low	3 Å²	3	56 Å²	56	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.7	171.1	177.5	87.6	0	0	0	107.5	L632 L634 F646 I676 I689 L711	L632-L687 HydrophobicContact CD2-CD2 4.09Å; L634-L687 HydrophobicContact CD1-CD2 4.27Å; F646-L687 HydrophobicContact CB-CB 4.17Å; F646-L687 HydrophobicContact CB-CD2 4.16Å; F646-L687 HydrophobicContact CD1-CB 4.05Å; F646-L687 HydrophobicContact CD1-CD2 4.33Å; F646-L687 PolarHBondContact N-O 2.93Å; F646-L687 PolarHBondContact O-N 2.84Å; I676-L687 HydrophobicContact CG2-CD1 3.4Å; I676-L687 HydrophobicContact CG2-CG 4.46Å; L687-I689 HydrophobicContact CD2-CD1 3.9Å; L687-I689 HydrophobicContact CD2-CG1 4.11Å; L687-I689 HydrophobicContact CG-CG1 4.23Å; L687-L711 HydrophobicContact CD1-CD1 3.93Å; L687-L711 HydrophobicContact CD2-CD1 3.23Å; L687-L711 HydrophobicContact CG-CD1 4.2Å
688	I	64.5	Low	59.6	Low	61 Å²	61	54.8 Å²	54.8	31%	0.313	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.1	174	-55.2	178.3	0	0	0	106.3	I644 Y645 I676 N677	I644-I688 WeakPolarHBondContact O-CA 3.37Å; Y645-I688 HydrophobicContact CD1-CB 4.39Å; Y645-I688 HydrophobicContact CD1-CD1 4.02Å; Y645-I688 HydrophobicContact CD1-CG1 3.76Å; Y645-I688 HydrophobicContact CD1-CG2 3.97Å; Y645-I688 HydrophobicContact CE1-CB 4.47Å; Y645-I688 HydrophobicContact CE1-CD1 3.91Å; Y645-I688 HydrophobicContact CE1-CG1 4.04Å; Y645-I688 HydrophobicContact CE1-CG2 3.67Å; I676-I688 WeakPolarHBondContact CA-O 3.39Å; N677-I688 HydrophobicContact CB-CB 4.48Å; N677-I688 PolarHBondContact N-O 2.92Å; N677-I688 PolarHBondContact O-N 2.65Å
689	I	67.2	Low	58.9	Low	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103.6	168.5	-57.2	157.7	0	0	0	105.9	L634 T643 I644 I674 S675 I676 L687 A692 L709 L711	L634-I689 HydrophobicContact CD1-CD1 3.35Å; T643-I689 CarbonylContact C-O 3.5Å; T643-I689 WeakPolarHBondContact CA-O 3.21Å; I644-I689 HydrophobicContact CB-CB 4.19Å; I644-I689 HydrophobicContact CB-CD1 4.34Å; I644-I689 HydrophobicContact CD1-CD1 4.47Å; I644-I689 PolarHBondContact N-O 3.26Å; I644-I689 PolarHBondContact O-N 3.45Å; I674-I689 HydrophobicContact CB-CG2 4.47Å; I674-I689 HydrophobicContact CD1-CG2 3.87Å; I674-I689 HydrophobicContact CG1-CG2 3.89Å; I674-I689 HydrophobicContact CG2-CG2 4.02Å; S675-I689 CarbonylContact O-C 3.56Å; S675-I689 WeakPolarHBondContact O-CA 3.45Å; I676-I689 HydrophobicContact CG1-CG1 4.23Å; L687-I689 HydrophobicContact CD2-CD1 3.9Å; L687-I689 HydrophobicContact CD2-CG1 4.11Å; L687-I689 HydrophobicContact CG-CG1 4.23Å; I689-A692 HydrophobicContact CG2-CB 3.83Å; I689-L709 HydrophobicContact CD1-CD2 3.43Å; I689-L709 VanDerWaalsContact CD1-CD2 3.43Å; I689-L709 HydrophobicContact CG1-CD2 4.25Å; I689-L711 HydrophobicContact CD1-CD1 4.49Å
690	D	61.9	Low	58	Low	54 Å²	54	60.6 Å²	60.6	29%	0.289	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.8	177.3	-163.3	21	0	0	0	111	T643 S675 A692	T643-D690 HydrophobicContact CG2-CB 4.48Å; T643-D690 WeakPolarHBondContact CG2-OD1 3.29Å; T643-D690 PolarHBondContact OG1-OD1 2.82Å; S675-D690 PolarHBondContact N-O 3.3Å; S675-D690 VanDerWaalsContact N-O 3.08Å; S675-D690 PolarHBondContact O-N 2.98Å; D690-A692 PolarHBondContact O-N 2.77Å
691	K	60.6	Low	57.2	Low	125 Å²	125	68.8 Å²	68.8	54%	0.543	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	51.7	178.5	-56.8	179.1	-175.3	176.1	0	113.3	W641	W641-K691 HydrophobicContact CE3-CB 3.69Å; W641-K691 HydrophobicContact CZ3-CB 3.69Å; W641-K691 WeakPolarHBondContact CZ3-O 3.38Å
692	A	63.9	Low	56.2	Low	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.1	168	0	0	0	0	0	110.4	L636 W641 Q642 Y673 I674 I689 D690	L636-A692 HydrophobicContact CD1-CB 4.17Å; L636-A692 HydrophobicContact CD2-CB 4.03Å; W641-A692 WeakPolarHBondContact CA-O 3.23Å; Q642-A692 PolarHBondContact N-O 2.94Å; Q642-A692 WeakPolarHBondContact O-CB 3.36Å; Q642-A692 PolarHBondContact O-N 2.84Å; Y673-A692 WeakPolarHBondContact O-CA 3.3Å; I674-A692 HydrophobicContact CD1-CB 4.13Å; I674-A692 HydrophobicContact CG1-CB 3.88Å; I689-A692 HydrophobicContact CG2-CB 3.83Å; D690-A692 PolarHBondContact O-N 2.77Å
693	Y	61.9	Low	55.2	Low	48 Å²	48	71.3 Å²	71.3	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129	173.2	-172.9	-103.7	0	0	0	110.6	N639 W641 L671 E695	N639-Y693 VanDerWaalsContact C-CE2 3.49Å; N639-Y693 PolarHBondContact OD1-OH 3.38Å; W641-Y693 AromaticContact CD1-CD2 3.87Å; W641-Y693 AromaticContact CD2-CD2 3.97Å; W641-Y693 HydrophobicContact CD2-CD2 3.97Å; W641-Y693 HydrophobicContact CD2-CG 4.19Å; W641-Y693 AromaticContact CE2-CD2 3.86Å; W641-Y693 AromaticContact CE2-CG 3.99Å; W641-Y693 AromaticContact CG-CD2 3.97Å; W641-Y693 HydrophobicContact CG-CD2 3.97Å; W641-Y693 HydrophobicContact CH2-CG 4.48Å; W641-Y693 HydrophobicContact CZ2-CD2 4.46Å; W641-Y693 HydrophobicContact CZ2-CG 4.15Å; W641-Y693 AromaticContact NE1-CD2 3.78Å; L671-Y693 WeakPolarHBondContact CD2-O 3.46Å; Y693-E695 HydrophobicContact CD1-CG 3.94Å; Y693-E695 HydrophobicContact CE1-CG 3.45Å; Y693-E695 VanDerWaalsContact CE1-CG 3.45Å
694	Y	61.4	Low	54.2	Low	20 Å²	20	74.3 Å²	74.3	8%	0.078	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-117.3	117.6	178.5	175.5	-120.5	0	0	0	109.5	P638 N639 L671 G696 A706 N707	P638-Y694 CarbonylContact C-O 3.56Å; P638-Y694 WeakPolarHBondContact CA-O 3.44Å; P638-Y694 HydrophobicContact CB-CD1 3.91Å; P638-Y694 HydrophobicContact CB-CE1 4.21Å; N639-Y694 PolarHBondContact N-O 2.95Å; L671-Y694 HydrophobicContact CD2-CD2 4.31Å; Y694-G696 VanDerWaalsContact CE1-CA 3.48Å; Y694-G696 VanDerWaalsContact CZ-CA 3.5Å; Y694-G696 PolarHBondContact O-N 3.1Å; Y694-A706 VanDerWaalsContact CE2-C 3.5Å; Y694-A706 HydrophobicContact CE2-CB 3.88Å; Y694-A706 WeakPolarHBondContact CE2-O 3.5Å; Y694-N707 HydrophobicContact CD1-CB 3.88Å; Y694-N707 HydrophobicContact CE1-CB 3.5Å; Y694-N707 VanDerWaalsContact CE1-CB 3.5Å; Y694-N707 HydrophobicContact CE2-CB 4.39Å; Y694-N707 HydrophobicContact CG-CB 4.49Å
695	E	56.4	Low	53.2	Low	131 Å²	131	75.8 Å²	75.8	61%	0.612	42%	0.415	S	S	*	.			trans	-78	0.9	-177.3	-80.8	-178.2	-179.5	0	0	114.5	Y693	Y693-E695 HydrophobicContact CD1-CG 3.94Å; Y693-E695 HydrophobicContact CE1-CG 3.45Å; Y693-E695 VanDerWaalsContact CE1-CG 3.45Å
696	G	55.6	Low	52.5	Low	13 Å²	13	77.3 Å²	77.3	13%	0.134	43%	0.428	C	S	.	.			trans	-63.1	160.1	-174.2	0	0	0	0	0	114.2	P638 N639 Y694	P638-G696 WeakPolarHBondContact CB-O 3.23Å; N639-G696 PolarHBondContact ND2-O 3.5Å; N639-G696 VanDerWaalsContact ND2-O 3.16Å; Y694-G696 VanDerWaalsContact CE1-CA 3.48Å; Y694-G696 VanDerWaalsContact CZ-CA 3.5Å; Y694-G696 PolarHBondContact O-N 3.1Å
697	I	53.1	Low	52.2	Low	133 Å²	133	76 Å²	76	68%	0.682	43%	0.426	S	S	*	.			trans	-79.4	138.1	176.2	-46.1	177.2	0	0	0	108.2	T699	I697-T699 HydrophobicContact CB-CG2 4.38Å; I697-T699 HydrophobicContact CG2-CG2 3.45Å; I697-T699 VanDerWaalsContact CG2-CG2 3.45Å; I697-T699 PolarHBondContact O-N 3.29Å
698	A	47.1	Very low	51.9	Low	83 Å²	83	79.8 Å²	79.8	69%	0.686	44%	0.443	S	S	*	.			trans	-69.8	14.8	176.6	0	0	0	0	0	114.3	P638 D700	P638-A698 HydrophobicContact CG-CB 3.84Å; A698-D700 PolarHBondContact O-N 3.44Å
699	T	44.1	Very low	51.8	Low	89 Å²	89	77 Å²	77	55%	0.546	43%	0.429	S	S	.	.			trans	-72.9	113.6	-170.2	40.3	0	0	0	0	112.5	I697	I697-T699 HydrophobicContact CB-CG2 4.38Å; I697-T699 HydrophobicContact CG2-CG2 3.45Å; I697-T699 VanDerWaalsContact CG2-CG2 3.45Å; I697-T699 PolarHBondContact O-N 3.29Å
700	D	36.5	Very low	51.5	Low	134 Å²	134	78 Å²	78	72%	0.717	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.6	98	141.2	-66.7	-22.8	0	0	0	117.8	A698 T702	A698-D700 PolarHBondContact O-N 3.44Å; D700-T702 PolarHBondContact O-N 3.26Å; D700-T702 PolarHBondContact O-OG1 2.83Å
701	Q	38.5	Very low	51.4	Low	202 Å²	202	75.4 Å²	75.4	94%	0.944	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	2.7	148.4	-63.4	-169.7	-8.9	0	0	119.7
702	T	35.7	Very low	51.4	Low	108 Å²	108	71.9 Å²	71.9	66%	0.663	41%	0.405	S	S	*	.			trans	-98	115.8	179.3	45	0	0	0	0	106.9	D700 S704	D700-T702 PolarHBondContact O-N 3.26Å; D700-T702 PolarHBondContact O-OG1 2.83Å; T702-S704 PolarHBondContact O-N 2.93Å
703	I	35.1	Very low	51.2	Low	159 Å²	159	72 Å²	72	82%	0.815	41%	0.406	S	S	*	.			trans	-70.2	62.1	-169.7	-50.3	160.8	0	0	0	109	A705	I703-A705 PolarHBondContact O-N 3.19Å; I703-A705 VanDerWaalsContact O-N 3.13Å
704	S	37	Very low	50.9	Low	70 Å²	70	69.9 Å²	69.9	49%	0.49	40%	0.398	S	S	.	.			trans	-70.9	109.1	174	70	0	0	0	0	106.8	T702 A706	T702-S704 PolarHBondContact O-N 2.93Å; S704-A706 PolarHBondContact O-N 2.8Å
705	A	40.9	Very low	50.5	Low	88 Å²	88	69.1 Å²	69.1	73%	0.727	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	24.2	-173.3	0	0	0	0	0	116.5	I703	I703-A705 PolarHBondContact O-N 3.19Å; I703-A705 VanDerWaalsContact O-N 3.13Å
706	A	50.3	Low	50.4	Low	32 Å²	32	66.2 Å²	66.2	26%	0.264	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-12.2	-173.8	0	0	0	0	0	114.5	S670 Y694 S704	S670-A706 PolarHBondContact OG-O 2.93Å; Y694-A706 VanDerWaalsContact CE2-C 3.5Å; Y694-A706 HydrophobicContact CE2-CB 3.88Å; Y694-A706 WeakPolarHBondContact CE2-O 3.5Å; S704-A706 PolarHBondContact O-N 2.8Å
707	N	57.7	Low	50	Low	43 Å²	43	66.4 Å²	66.4	23%	0.23	38%	0.379	C	S	.	.	S	Bend	trans	-93.8	0.4	176.5	65.8	-15	0	0	0	113.9	T635 L636 Y694	T635-N707 WeakPolarHBondContact CA-O 3.31Å; T635-N707 HydrophobicContact CG2-CB 4.39Å; T635-N707 WeakPolarHBondContact CG2-ND2 3.14Å; L636-N707 PolarHBondContact N-O 3.24Å; Y694-N707 HydrophobicContact CD1-CB 3.88Å; Y694-N707 HydrophobicContact CE1-CB 3.5Å; Y694-N707 VanDerWaalsContact CE1-CB 3.5Å; Y694-N707 HydrophobicContact CE2-CB 4.39Å; Y694-N707 HydrophobicContact CG-CB 4.49Å
708	E	60.2	Low	49.6	Very low	82 Å²	82	62.2 Å²	62.2	38%	0.383	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.1	-178.2	-71.2	-173.3	172.6	0	0	111.8	T633 L634	T633-E708 HydrophobicContact CG2-CB 3.82Å; T633-E708 HydrophobicContact CG2-CG 3.82Å; L634-E708 CarbonylContact O-C 3.43Å; L634-E708 WeakPolarHBondContact O-CA 3.37Å
709	L	61.7	Low	49.4	Very low	3 Å²	3	63 Å²	63	2%	0.016	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.5	167.5	165.4	53	0	0	0	109.6	T633 L634 L668 L671 I674 I689 L711	T633-L709 WeakPolarHBondContact CA-O 3.1Å; L634-L709 HydrophobicContact CB-CB 4.25Å; L634-L709 HydrophobicContact CD1-CD2 4.05Å; L634-L709 HydrophobicContact CD1-CG 4.27Å; L634-L709 PolarHBondContact N-O 3.35Å; L634-L709 PolarHBondContact O-N 2.85Å; L668-L709 HydrophobicContact CD2-CB 4.46Å; L668-L709 HydrophobicContact CD2-CD1 3.33Å; L668-L709 HydrophobicContact CD2-CD2 4.23Å; L668-L709 HydrophobicContact CD2-CG 4.19Å; L668-L709 HydrophobicContact CG-CD1 4.18Å; L671-L709 HydrophobicContact CD1-CB 4.3Å; I674-L709 HydrophobicContact CD1-CD2 3.99Å; I689-L709 HydrophobicContact CD1-CD2 3.43Å; I689-L709 VanDerWaalsContact CD1-CD2 3.43Å; I689-L709 HydrophobicContact CG1-CD2 4.25Å; L709-L711 HydrophobicContact CD1-CD2 4.14Å; L709-L711 HydrophobicContact CD1-CG 3.98Å; L709-L711 HydrophobicContact CD2-CD1 4.2Å; L709-L711 HydrophobicContact CG-CD1 4.17Å; L709-L711 HydrophobicContact CG-CG 4.09Å
710	T	62	Low	49.3	Very low	21 Å²	21	63.4 Å²	63.4	13%	0.129	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.3	174.9	-64.3	0	0	0	0	111.1	K631 L632 Y712	K631-T710 HydrophobicContact CD-CG2 4.09Å; K631-T710 HydrophobicContact CG-CG2 3.61Å; L632-T710 CarbonylContact O-C 3.59Å; L632-T710 WeakPolarHBondContact O-CA 3.22Å; T710-Y712 HydrophobicContact CG2-CD2 4.17Å; T710-Y712 HydrophobicContact CG2-CE2 3.58Å
711	L	60	Low	49.5	Very low	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141	175.6	-66.3	160.7	0	0	0	110.1	L632 L634 I664 I676 L687 I689 L709	L632-L711 HydrophobicContact CB-CB 4.35Å; L632-L711 HydrophobicContact CD2-CD1 4.25Å; L632-L711 PolarHBondContact N-O 2.66Å; L632-L711 PolarHBondContact O-N 2.9Å; L634-L711 HydrophobicContact CD1-CD1 4.02Å; I664-L711 HydrophobicContact CB-CD2 4.43Å; I664-L711 HydrophobicContact CG1-CD2 3.71Å; I664-L711 HydrophobicContact CG2-CD2 4.49Å; I676-L711 HydrophobicContact CD1-CD2 4.23Å; L687-L711 HydrophobicContact CD1-CD1 3.93Å; L687-L711 HydrophobicContact CD2-CD1 3.23Å; L687-L711 HydrophobicContact CG-CD1 4.2Å; I689-L711 HydrophobicContact CD1-CD1 4.49Å; L709-L711 HydrophobicContact CD1-CD2 4.14Å; L709-L711 HydrophobicContact CD1-CG 3.98Å; L709-L711 HydrophobicContact CD2-CD1 4.2Å; L709-L711 HydrophobicContact CG-CD1 4.17Å; L709-L711 HydrophobicContact CG-CG 4.09Å
712	Y	60	Low	50	Low	50 Å²	50	59.7 Å²	59.7	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	178.1	-70.8	-86.5	0	0	0	109.4	T629 L630 K631 I663 L665 T710 P714	T629-Y712 HydrophobicContact CG2-CD1 4.35Å; T629-Y712 WeakPolarHBondContact OG1-CD1 3.28Å; L630-Y712 WeakPolarHBondContact O-CA 3.36Å; K631-Y712 HydrophobicContact CB-CD1 4.44Å; K631-Y712 HydrophobicContact CB-CE1 4.14Å; K631-Y712 HydrophobicContact CG-CE1 4.06Å; I663-Y712 PolarHBondContact N-O 3.09Å; I663-Y712 PolarHBondContact O-N 2.73Å; I663-Y712 VanDerWaalsContact O-O 3.06Å; L665-Y712 HydrophobicContact CB-CD2 3.92Å; L665-Y712 HydrophobicContact CB-CE2 4.4Å; L665-Y712 HydrophobicContact CD1-CD2 3.7Å; L665-Y712 HydrophobicContact CD1-CE2 4.35Å; L665-Y712 HydrophobicContact CD1-CG 3.81Å; L665-Y712 HydrophobicContact CG-CD2 4.18Å; T710-Y712 HydrophobicContact CG2-CD2 4.17Å; T710-Y712 HydrophobicContact CG2-CE2 3.58Å; Y712-P714 WeakPolarHBondContact O-CD 3.33Å
713	I	59.4	Low	50.5	Low	4 Å²	4	55 Å²	55	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.8	178.7	-51.2	176.3	0	0	0	107.8	T629 L630 F646 L648 L659 P662 V685	T629-I713 WeakPolarHBondContact CA-O 3.13Å; L630-I713 HydrophobicContact CB-CB 4.28Å; L630-I713 PolarHBondContact N-O 2.93Å; L630-I713 PolarHBondContact O-N 2.93Å; F646-I713 HydrophobicContact CE1-CD1 4.04Å; L648-I713 HydrophobicContact CD2-CD1 3.87Å; L659-I713 HydrophobicContact CD2-CG2 4.35Å; P662-I713 HydrophobicContact CB-CG1 4.22Å; P662-I713 HydrophobicContact CG-CG1 4.13Å; P662-I713 HydrophobicContact CG-CG2 4.41Å; V685-I713 HydrophobicContact CG1-CD1 4.27Å; V685-I713 HydrophobicContact CG1-CG2 4.33Å; V685-I713 HydrophobicContact CG2-CG2 4.04Å
714	P	55.5	Low	51.2	Low	3 Å²	3	52.2 Å²	52.2	2%	0.019	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.9	175.3	-5.3	19.7	0	0	0	109.9	L627 V660 R661 I663 Y712	L627-P714 HydrophobicContact CD1-CB 4.1Å; L627-P714 HydrophobicContact CD2-CB 4.09Å; L627-P714 HydrophobicContact CG-CB 4.25Å; V660-P714 HydrophobicContact CB-CB 4.21Å; V660-P714 HydrophobicContact CB-CG 4.32Å; V660-P714 PolarHBondContact N-O 2.73Å; R661-P714 WeakPolarHBondContact O-CD 3.04Å; I663-P714 HydrophobicContact CD1-CG 3.69Å; I663-P714 HydrophobicContact CG1-CG 3.76Å; Y712-P714 WeakPolarHBondContact O-CD 3.33Å
715	M	54.6	Low	51.9	Low	4 Å²	4	49 Å²	49	2%	0.02	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.6	173.1	-173.7	170.8	46.2	0	0	111	F597 T628 L630 L659 F727	F597-M715 HydrophobicContact CD1-CE 3.67Å; F597-M715 HydrophobicContact CD2-CE 3.87Å; F597-M715 HydrophobicContact CE1-CE 3.27Å; F597-M715 HydrophobicContact CE1-SD 3.96Å; F597-M715 HydrophobicContact CE2-CE 3.47Å; F597-M715 VanDerWaalsContact CE2-CE 3.47Å; F597-M715 HydrophobicContact CG-CE 3.93Å; F597-M715 HydrophobicContact CZ-CE 3.14Å; F597-M715 HydrophobicContact CZ-CG 4.29Å; F597-M715 HydrophobicContact CZ-SD 3.98Å; T628-M715 PolarHBondContact O-N 2.91Å; T628-M715 VanDerWaalsContact O-N 3.15Å; L630-M715 HydrophobicContact CD1-CE 4.1Å; L630-M715 HydrophobicContact CG-CE 4.33Å; L659-M715 HydrophobicContact CD2-CB 4.07Å; L659-M715 HydrophobicContact CD2-CG 3.87Å; L659-M715 HydrophobicContact CD2-SD 3.77Å; M715-F727 HydrophobicContact CE-CE1 4.48Å; M715-F727 HydrophobicContact CE-CE2 4.22Å; M715-F727 HydrophobicContact CE-CZ 3.55Å; M715-F727 HydrophobicContact SD-CE1 3.97Å; M715-F727 HydrophobicContact SD-CZ 3.47Å; M715-F727 WeakPolarHBondContact SD-CZ 3.38Å
716	F	53.1	Low	52.6	Low	69 Å²	69	47.9 Å²	47.9	30%	0.303	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.2	173.6	-65.3	-82	0	0	0	109.7	Y592 L627 Y657 I658 V660	Y592-F716 HydrophobicContact CD1-CE1 4.24Å; L627-F716 HydrophobicContact CD1-CE1 3.87Å; L627-F716 HydrophobicContact CD1-CE2 4.21Å; L627-F716 HydrophobicContact CD1-CZ 3.5Å; L627-F716 VanDerWaalsContact CD1-CZ 3.5Å; Y657-F716 CarbonylContact C-O 3.54Å; Y657-F716 WeakPolarHBondContact CA-O 3.41Å; Y657-F716 VanDerWaalsContact CB-O 3.29Å; Y657-F716 WeakPolarHBondContact CB-O 3.45Å; I658-F716 HydrophobicContact CB-CB 4.49Å; I658-F716 PolarHBondContact N-O 3.32Å; I658-F716 PolarHBondContact O-N 3.37Å; V660-F716 HydrophobicContact CB-CE2 4.35Å; V660-F716 HydrophobicContact CG2-CD2 3.4Å; V660-F716 HydrophobicContact CG2-CE2 3.41Å; V660-F716 VanDerWaalsContact CG2-CE2 3.41Å
717	T	47.7	Very low	53	Low	18 Å²	18	46.6 Å²	46.6	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.4	160.5	62.4	0	0	0	0	111.9	V595 F597 E656 N719 P723	V595-T717 HydrophobicContact CB-CG2 4.23Å; V595-T717 HydrophobicContact CG1-CG2 3.65Å; V595-T717 HydrophobicContact CG2-CG2 3.67Å; V595-T717 WeakPolarHBondContact CG2-OG1 3.33Å; F597-T717 HydrophobicContact CE1-CG2 3.93Å; F597-T717 HydrophobicContact CZ-CG2 3.68Å; E656-T717 CarbonylContact O-C 3.54Å; E656-T717 WeakPolarHBondContact O-CA 3.42Å; E656-T717 WeakPolarHBondContact O-CB 3.45Å; E656-T717 WeakPolarHBondContact O-CG2 3.28Å; T717-N719 PolarHBondContact OG1-O 2.94Å; T717-P723 HydrophobicContact CG2-CG 4.23Å
718	A	44.3	Very low	53.1	Low	44 Å²	44	48.2 Å²	48.2	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-89.1	124.9	159.7	0	0	0	0	0	107.1	Q655 E656	Q655-A718 VanDerWaalsContact O-CB 3.32Å; Q655-A718 WeakPolarHBondContact O-CB 3.09Å; E656-A718 PolarHBondContact O-N 2.71Å
719	N	43.2	Very low	53.2	Low	100 Å²	100	45.8 Å²	45.8	54%	0.535	24%	0.242	S	C	.	.	S	Bend	trans	79.9	143.8	-178.7	-46.2	-41	0	0	0	115.3	T717 V721	T717-N719 PolarHBondContact OG1-O 2.94Å; N719-V721 HydrophobicContact CB-CG2 4.13Å; N719-V721 PolarHBondContact O-N 3.06Å
720	S	41.2	Very low	53.2	Low	98 Å²	98	50.1 Å²	50.1	69%	0.685	27%	0.266	S	S	*	.	S	Bend	trans	-65.9	19.7	-178.7	-37.7	0	0	0	0	114.8
721	V	42.5	Very low	53.3	Low	70 Å²	70	50.6 Å²	50.6	42%	0.424	27%	0.267	S	S	.	.			trans	-72.9	147.9	177.1	-172	0	0	0	0	107.7	N719 P723	N719-V721 HydrophobicContact CB-CG2 4.13Å; N719-V721 PolarHBondContact O-N 3.06Å; V721-P723 WeakPolarHBondContact O-CD 3.27Å
722	R	47.2	Very low	53.3	Low	187 Å²	187	53.6 Å²	53.6	71%	0.706	29%	0.286	S	S	*	.			trans	-96.8	73.3	168.7	-64.7	-177.8	-176.9	-156.8	-0.1	108.8	L724	R722-L724 PolarHBondContact O-N 2.93Å
723	P	46.5	Very low	53.3	Low	9 Å²	9	54.3 Å²	54.3	6%	0.058	30%	0.295	C	S	.	.			trans	-70.5	136.4	-175.1	31.3	-37.2	0	0	0	110.2	E656 T717 V721 V725	E656-P723 HydrophobicContact CB-CB 4.45Å; E656-P723 HydrophobicContact CB-CG 4.44Å; E656-P723 WeakPolarHBondContact OE2-CB 3.38Å; T717-P723 HydrophobicContact CG2-CG 4.23Å; V721-P723 WeakPolarHBondContact O-CD 3.27Å; P723-V725 HydrophobicContact CB-CG2 3.99Å; P723-V725 HydrophobicContact CG-CG2 3.87Å; P723-V725 PolarHBondContact O-N 2.71Å; P723-V725 VanDerWaalsContact O-N 3.16Å
724	L	49.7	Very low	53.3	Low	101 Å²	101	58.1 Å²	58.1	53%	0.529	32%	0.316	S	S	.	.			trans	-73.4	100.9	163.1	-175.2	72.1	0	0	0	107.2	Q598 R722	Q598-L724 HydrophobicContact CB-CD1 3.34Å; Q598-L724 HydrophobicContact CG-CD1 4.34Å; R722-L724 PolarHBondContact O-N 2.93Å
725	V	52.2	Low	53.1	Low	3 Å²	3	62 Å²	62	2%	0.018	34%	0.342	C	S	.	.			trans	-98.3	109.1	179.3	-172.7	0	0	0	0	109.3	F597 A650 Y657 P723 F727	F597-V725 HydrophobicContact CD1-CB 4.11Å; F597-V725 HydrophobicContact CD1-CG2 3.77Å; F597-V725 HydrophobicContact CE1-CG2 3.85Å; A650-V725 HydrophobicContact CB-CG1 3.64Å; Y657-V725 HydrophobicContact CD1-CG1 4.29Å; Y657-V725 HydrophobicContact CD1-CG2 3.88Å; Y657-V725 HydrophobicContact CE1-CG1 3.92Å; Y657-V725 HydrophobicContact CE1-CG2 4.04Å; P723-V725 HydrophobicContact CB-CG2 3.99Å; P723-V725 HydrophobicContact CG-CG2 3.87Å; P723-V725 PolarHBondContact O-N 2.71Å; P723-V725 VanDerWaalsContact O-N 3.16Å; V725-F727 HydrophobicContact CB-CE2 3.81Å; V725-F727 HydrophobicContact CB-CZ 4.04Å; V725-F727 HydrophobicContact CG1-CD1 4.46Å; V725-F727 HydrophobicContact CG1-CD2 4.12Å; V725-F727 HydrophobicContact CG1-CE1 3.93Å; V725-F727 HydrophobicContact CG1-CE2 3.55Å; V725-F727 HydrophobicContact CG1-CZ 3.41Å; V725-F727 VanDerWaalsContact CG1-CZ 3.41Å; V725-F727 WeakPolarHBondContact O-CD2 3.29Å
726	N	55.9	Low	52.4	Low	64 Å²	64	65.1 Å²	65.1	34%	0.342	36%	0.359	S	S	.	.			trans	-76.7	128.3	168.1	-69.9	-19.8	0	0	0	108.2	P651	P651-N726 WeakPolarHBondContact CD-O 3.36Å
727	F	59.1	Low	51.3	Low	6 Å²	6	66.8 Å²	66.8	3%	0.026	38%	0.379	C	S	.	.			trans	-104.7	128	173.3	-70.3	-84.6	0	0	0	108.8	L599 L630 L648 A650 L659 M715 V725	L599-F727 HydrophobicContact CD1-CD2 3.54Å; L599-F727 HydrophobicContact CD1-CE2 3.87Å; L599-F727 HydrophobicContact CD1-CG 4.43Å; L599-F727 HydrophobicContact CG-CD2 4Å; L630-F727 HydrophobicContact CD1-CD1 4.41Å; L630-F727 HydrophobicContact CD1-CE1 3.93Å; L630-F727 HydrophobicContact CD1-CE2 4.31Å; L630-F727 HydrophobicContact CD1-CZ 3.89Å; L648-F727 HydrophobicContact CD1-CB 3.86Å; L648-F727 HydrophobicContact CD1-CD1 3.84Å; L648-F727 HydrophobicContact CD1-CG 4.18Å; L648-F727 HydrophobicContact CD2-CD1 4.09Å; L648-F727 HydrophobicContact CD2-CE1 4.42Å; L648-F727 HydrophobicContact CG-CD1 3.96Å; A650-F727 HydrophobicContact CB-CD1 3.78Å; A650-F727 HydrophobicContact CB-CE1 3.68Å; A650-F727 HydrophobicContact CB-CZ 4.46Å; L659-F727 HydrophobicContact CD2-CE1 4.34Å; M715-F727 HydrophobicContact CE-CE1 4.48Å; M715-F727 HydrophobicContact CE-CE2 4.22Å; M715-F727 HydrophobicContact CE-CZ 3.55Å; M715-F727 HydrophobicContact SD-CE1 3.97Å; M715-F727 HydrophobicContact SD-CZ 3.47Å; M715-F727 WeakPolarHBondContact SD-CZ 3.38Å; V725-F727 HydrophobicContact CB-CE2 3.81Å; V725-F727 HydrophobicContact CB-CZ 4.04Å; V725-F727 HydrophobicContact CG1-CD1 4.46Å; V725-F727 HydrophobicContact CG1-CD2 4.12Å; V725-F727 HydrophobicContact CG1-CE1 3.93Å; V725-F727 HydrophobicContact CG1-CE2 3.55Å; V725-F727 HydrophobicContact CG1-CZ 3.41Å; V725-F727 VanDerWaalsContact CG1-CZ 3.41Å; V725-F727 WeakPolarHBondContact O-CD2 3.29Å
728	T	58.9	Low	50.5	Low	77 Å²	77	70.4 Å²	70.4	47%	0.472	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.9	167.4	-50.1	0	0	0	0	107.4	Y649 P651	Y649-T728 CarbonylContact C-O 3.59Å; Y649-T728 WeakPolarHBondContact CA-O 3.46Å; Y649-T728 PolarHBondContact N-O 2.91Å; Y649-T728 CarbonylContact O-C 3.57Å; Y649-T728 PolarHBondContact O-N 2.82Å; P651-T728 WeakPolarHBondContact CG-OG1 3.23Å
729	Y	63.2	Low	49.7	Very low	30 Å²	30	76.9 Å²	76.9	12%	0.118	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.3	173.2	69.9	-90	0	0	0	110.8	S603 L610 F646 Q647	S603-Y729 WeakPolarHBondContact CA-OH 3.23Å; S603-Y729 WeakPolarHBondContact CB-OH 3.24Å; S603-Y729 PolarHBondContact OG-OH 3.43Å; L610-Y729 HydrophobicContact CD1-CD1 4.11Å; F646-Y729 HydrophobicContact CD2-CD2 4.34Å; F646-Y729 AromaticContact CE2-CD2 3.85Å; F646-Y729 HydrophobicContact CE2-CD2 3.85Å; F646-Y729 AromaticContact CE2-CG 3.9Å; F646-Y729 HydrophobicContact CE2-CG 3.9Å; Q647-Y729 CarbonylContact O-C 3.51Å; Q647-Y729 WeakPolarHBondContact O-CA 3.3Å; Q647-Y729 VanDerWaalsContact O-CB 3.29Å; Q647-Y729 WeakPolarHBondContact O-CB 3.38Å
730	N	61.7	Low	49	Very low	94 Å²	94	73.8 Å²	73.8	50%	0.503	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.7	170.8	-166.9	7.4	0	0	0	108.9	Q647	Q647-N730 HydrophobicContact CB-CB 4.29Å; Q647-N730 PolarHBondContact N-O 3.06Å; Q647-N730 PolarHBondContact O-N 3.27Å
731	L	62.9	Low	48.2	Very low	31 Å²	31	71.5 Å²	71.5	16%	0.162	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.1	-177.7	-178.3	80.4	0	0	0	109.4	A605 V608 L634 I644 Y645 F646 V733	A605-L731 HydrophobicContact CB-CD2 4.41Å; V608-L731 HydrophobicContact CB-CD2 3.67Å; V608-L731 HydrophobicContact CG1-CD2 4.08Å; V608-L731 HydrophobicContact CG2-CD1 4.41Å; V608-L731 HydrophobicContact CG2-CD2 3.34Å; L634-L731 HydrophobicContact CD2-CD1 4.33Å; I644-L731 HydrophobicContact CG2-CD1 3.45Å; I644-L731 VanDerWaalsContact CG2-CD1 3.45Å; Y645-L731 CarbonylContact O-C 3.57Å; Y645-L731 VanDerWaalsContact O-CA 3.32Å; Y645-L731 WeakPolarHBondContact O-CA 3.41Å; F646-L731 HydrophobicContact CB-CD1 4.24Å; F646-L731 HydrophobicContact CD2-CD1 4.3Å; L731-V733 HydrophobicContact CD1-CG2 4.41Å; L731-V733 HydrophobicContact CD2-CG2 3.95Å; L731-V733 HydrophobicContact CG-CG2 4.03Å
732	T	61	Low	47.5	Very low	63 Å²	63	70.5 Å²	70.5	39%	0.387	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.9	168.4	-53.5	0	0	0	0	108.9	I644 Y645	I644-T732 WeakPolarHBondContact CA-O 3.48Å; Y645-T732 PolarHBondContact N-O 3.13Å; Y645-T732 PolarHBondContact O-N 3.01Å
733	V	59.3	Low	46.8	Very low	65 Å²	65	64.7 Å²	64.7	39%	0.394	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.6	175	-176.3	0	0	0	0	108.4	Q642 T643 I644 L731	Q642-V733 HydrophobicContact CB-CG1 4.17Å; Q642-V733 HydrophobicContact CG-CG1 4Å; T643-V733 WeakPolarHBondContact O-CA 3.38Å; I644-V733 HydrophobicContact CG1-CG1 4.29Å; I644-V733 HydrophobicContact CG1-CG2 4.24Å; I644-V733 HydrophobicContact CG2-CG2 4.43Å; L731-V733 HydrophobicContact CD1-CG2 4.41Å; L731-V733 HydrophobicContact CD2-CG2 3.95Å; L731-V733 HydrophobicContact CG-CG2 4.03Å
734	N	58.7	Low	45.8	Very low	85 Å²	85	66.5 Å²	66.5	46%	0.455	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.1	175	-69.5	-23.8	0	0	0	109	Q642 T643	Q642-N734 WeakPolarHBondContact CA-O 3.47Å; T643-N734 PolarHBondContact N-O 3.15Å; T643-N734 PolarHBondContact O-N 3Å
735	S	51.8	Low	44.8	Very low	83 Å²	83	65.8 Å²	65.8	58%	0.58	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.9	172.1	52.5	0	0	0	0	110.3	W641	W641-S735 CarbonylContact O-C 3.58Å; W641-S735 VanDerWaalsContact O-CA 3.29Å; W641-S735 WeakPolarHBondContact O-CA 3.05Å
736	I	40	Very low	43.6	Very low	70 Å²	70	66.9 Å²	66.9	36%	0.359	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.2	174.5	-41.2	179	0	0	0	108	W641 I738	W641-I736 PolarHBondContact O-N 2.76Å; I736-I738 HydrophobicContact CB-CD1 4.03Å; I736-I738 HydrophobicContact CB-CG1 3.92Å; I736-I738 HydrophobicContact CG2-CD1 3.77Å; I736-I738 HydrophobicContact CG2-CG1 3.57Å; I736-I738 PolarHBondContact O-N 2.92Å
737	S	30	Very low	42.3	Very low	105 Å²	105	67.2 Å²	67.2	73%	0.734	38%	0.38	S	S	*	.			trans	-79.9	106.4	165.2	178.4	0	0	0	0	107.2
738	I	32	Very low	40.9	Very low	93 Å²	93	69.1 Å²	69.1	48%	0.477	39%	0.392	S	S	.	.			trans	-121.8	113.1	179.5	-4.3	-175.6	0	0	0	109	W641 I736	W641-I738 HydrophobicContact CG-CD1 4.39Å; I736-I738 HydrophobicContact CB-CD1 4.03Å; I736-I738 HydrophobicContact CB-CG1 3.92Å; I736-I738 HydrophobicContact CG2-CD1 3.77Å; I736-I738 HydrophobicContact CG2-CG1 3.57Å; I736-I738 PolarHBondContact O-N 2.92Å
739	F	27.3	Very low	39.4	Very low	181 Å²	181	69 Å²	69	79%	0.794	39%	0.392	S	S	*	.			trans	-76.6	122	165	-79.7	-92.5	0	0	0	108.7
740	G	27.6	Very low	37.5	Very low	34 Å²	34	72.9 Å²	72.9	35%	0.351	43%	0.431	S	S	.	.			trans	92.2	85.2	163.7	0	0	0	0	0	116
741	S	25.5	Very low	35.8	Very low	51 Å²	51	71.8 Å²	71.8	36%	0.357	44%	0.435	S	S	.	.			trans	-107.7	142.3	164.9	-55	0	0	0	0	109.7
742	F	27.4	Very low	33.9	Very low	48 Å²	48	78.5 Å²	78.5	21%	0.211	46%	0.463	C	S	.	.			trans	-87.5	140.3	168.1	-63.9	-84	0	0	0	109.8	F744 M774 I800	F742-F744 HydrophobicContact CB-CE2 4.4Å; F742-M774 HydrophobicContact CE1-CE 3.93Å; F742-M774 HydrophobicContact CE1-SD 4.08Å; F742-M774 HydrophobicContact CE2-CE 4.37Å; F742-M774 HydrophobicContact CE2-SD 3.98Å; F742-M774 HydrophobicContact CZ-CE 3.67Å; F742-M774 HydrophobicContact CZ-SD 3.3Å; F742-M774 WeakPolarHBondContact CZ-SD 3.43Å; F742-I800 HydrophobicContact CD1-CG2 4.28Å
743	I	31	Very low	32.1	Very low	65 Å²	65	82.9 Å²	82.9	33%	0.333	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.7	175.4	-57.9	166.5	0	0	0	108	N801	I743-N801 HydrophobicContact CB-CB 4.14Å; I743-N801 PolarHBondContact O-N 3.39Å
744	F	26.9	Very low	30.5	Very low	48 Å²	48	83.6 Å²	83.6	21%	0.211	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.3	171	-62.3	-93	0	0	0	108.9	F742 W799 I800	F742-F744 HydrophobicContact CB-CE2 4.4Å; F744-W799 VanDerWaalsContact CA-O 3.25Å; F744-W799 WeakPolarHBondContact CA-O 3.37Å; F744-I800 HydrophobicContact CD1-CD1 4.44Å; F744-I800 HydrophobicContact CD1-CG1 3.77Å; F744-I800 HydrophobicContact CE1-CB 4.46Å; F744-I800 HydrophobicContact CE1-CD1 3.76Å; F744-I800 HydrophobicContact CE1-CG1 3.54Å; F744-I800 HydrophobicContact CE1-CG2 4.35Å
745	N	28.3	Very low	28.9	Very low	86 Å²	86	84 Å²	84	46%	0.46	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.4	170.8	-84.4	-2.3	0	0	0	109.8	Y798 W799	N745-Y798 WeakPolarHBondContact O-CA 3.49Å; N745-W799 HydrophobicContact CB-CB 4.29Å; N745-W799 PolarHBondContact N-O 2.79Å; N745-W799 VanDerWaalsContact N-O 3.16Å; N745-W799 VanDerWaalsContact O-CD1 3.31Å; N745-W799 PolarHBondContact O-N 3.22Å
746	T	27.6	Very low	27.8	Very low	26 Å²	26	83.7 Å²	83.7	16%	0.16	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.1	168.4	35.5	0	0	0	0	110.3	I756 T797 Y798	T746-I756 PolarHBondContact OG1-O 2.79Å; T746-T797 WeakPolarHBondContact CA-O 3.24Å; T746-Y798 HydrophobicContact CG2-CD1 3.29Å; T746-Y798 HydrophobicContact CG2-CD2 4.14Å; T746-Y798 HydrophobicContact CG2-CE1 2.94Å; T746-Y798 HydrophobicContact CG2-CE2 3.84Å; T746-Y798 HydrophobicContact CG2-CG 3.88Å
747	T	28.9	Very low	27.5	Very low	70 Å²	70	85.6 Å²	85.6	43%	0.429	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.4	168.3	50.7	0	0	0	0	108.8	T797 W799	T747-T797 PolarHBondContact N-O 3.07Å; T747-T797 VanDerWaalsContact N-O 3.07Å; T747-T797 PolarHBondContact O-N 3.17Å; T747-W799 PolarHBondContact OG1-NE1 3.03Å
748	T	28.9	Very low	27.6	Very low	47 Å²	47	82 Å²	82	29%	0.288	50%	0.495	S	S	.	.			trans	-74.4	128.1	167.9	30.3	0	0	0	0	109.1	A750 F796	T748-A750 PolarHBondContact O-N 3.17Å; T748-F796 HydrophobicContact CG2-CD1 4.5Å; T748-F796 HydrophobicContact CG2-CE1 4.47Å
749	P	26.6	Very low	27.8	Very low	74 Å²	74	83.8 Å²	83.8	48%	0.481	51%	0.511	S	S	.	.			trans	-63.6	110.7	178.4	-20.7	31.9	0	0	0	112	A751 F795	P749-A751 VanDerWaalsContact C-N 3.29Å; P749-A751 PolarHBondContact O-N 3.11Å; P749-F795 WeakPolarHBondContact CD-O 3.14Å; P749-F795 HydrophobicContact CG-CB 3.95Å
750	A	24	Very low	28.3	Very low	112 Å²	112	76.3 Å²	76.3	93%	0.926	48%	0.48	S	S	*	.	S	Bend	trans	47.5	5.8	144.1	0	0	0	0	0	122.5	T748	T748-A750 PolarHBondContact O-N 3.17Å
751	A	25.2	Very low	29.1	Very low	70 Å²	70	78 Å²	78	58%	0.579	49%	0.491	S	S	*	.	S	Bend	trans	-98.9	-28.5	172.9	0	0	0	0	0	113.7	P749	P749-A751 VanDerWaalsContact C-N 3.29Å; P749-A751 PolarHBondContact O-N 3.11Å
752	F	24.6	Very low	30	Very low	172 Å²	172	77.5 Å²	77.5	75%	0.754	48%	0.484	S	S	*	.			trans	-148.9	123.7	-175.9	-62	-80.4	0	0	0	110.8	T754	F752-T754 PolarHBondContact O-N 2.82Å
753	T	22.6	Very low	31.2	Very low	156 Å²	156	77.9 Å²	77.9	96%	0.957	49%	0.492	S	S	*	.			trans	-77.6	45.5	-175.6	40.9	0	0	0	0	113.8
754	T	24.8	Very low	32.1	Very low	79 Å²	79	78.1 Å²	78.1	49%	0.485	50%	0.5	S	S	.	.			trans	-105.7	92.4	166.3	40.4	0	0	0	0	108.4	F752 I756	F752-T754 PolarHBondContact O-N 2.82Å; T754-I756 VanDerWaalsContact C-N 3.28Å; T754-I756 PolarHBondContact O-N 2.82Å
755	A	26.3	Very low	33.3	Very low	94 Å²	94	77.2 Å²	77.2	78%	0.777	50%	0.499	S	S	*	.			trans	-67.1	92.4	164.2	0	0	0	0	0	107.6	S757	A755-S757 PolarHBondContact O-N 2.94Å
756	I	29	Very low	34.4	Very low	77 Å²	77	75.7 Å²	75.7	40%	0.395	50%	0.495	S	S	.	.			trans	-79.1	114.3	173.7	-56	174.3	0	0	0	106.6	T746 T754 S758 E790	T746-I756 PolarHBondContact OG1-O 2.79Å; T754-I756 VanDerWaalsContact C-N 3.28Å; T754-I756 PolarHBondContact O-N 2.82Å; I756-S758 PolarHBondContact O-N 3.1Å; I756-S758 VanDerWaalsContact O-N 3.09Å; I756-E790 HydrophobicContact CD1-CG 4.1Å
757	S	32.2	Very low	35.5	Very low	109 Å²	109	77.1 Å²	77.1	76%	0.762	51%	0.509	S	S	*	.			trans	-71.2	98.4	171.4	48.8	0	0	0	0	109	A755	A755-S757 PolarHBondContact O-N 2.94Å
758	S	33.4	Very low	36.4	Very low	30 Å²	30	78 Å²	78	21%	0.21	52%	0.515	C	S	.	.			trans	-85	111.2	164.7	66.1	0	0	0	0	108.4	I756 C760	I756-S758 PolarHBondContact O-N 3.1Å; I756-S758 VanDerWaalsContact O-N 3.09Å; S758-C760 PolarHBondContact O-N 3.31Å; S758-C760 VanDerWaalsContact O-N 3.09Å
759	T	35.2	Very low	37.8	Very low	131 Å²	131	79 Å²	79	80%	0.804	52%	0.519	S	S	*	.			trans	-75	94.1	168.6	30.3	0	0	0	0	108.5
760	C	38.9	Very low	39.2	Very low	23 Å²	23	75.6 Å²	75.6	16%	0.155	50%	0.497	C	S	.	.			trans	-79.6	121.5	170	-65.5	0	0	0	0	109	S758	S758-C760 PolarHBondContact O-N 3.31Å; S758-C760 VanDerWaalsContact O-N 3.09Å
761	A	43.4	Very low	40.4	Very low	70 Å²	70	74.9 Å²	74.9	58%	0.579	47%	0.471	S	S	*	.			trans	-99.4	137.6	170	0	0	0	0	0	109.8	S763	A761-S763 PolarHBondContact O-N 2.79Å
762	L	44.1	Very low	41.8	Very low	41 Å²	41	77.6 Å²	77.6	22%	0.215	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	114.9	164.5	-84.3	157.7	0	0	0	108.2	A767 V770 F782	L762-A767 HydrophobicContact CD1-CB 4.06Å; L762-V770 HydrophobicContact CD2-CG2 4.37Å; L762-F782 HydrophobicContact CD2-CB 3.61Å; L762-F782 HydrophobicContact CD2-CD2 3.6Å; L762-F782 HydrophobicContact CD2-CG 3.93Å
763	S	53.1	Low	43.4	Very low	55 Å²	55	73.2 Å²	73.2	39%	0.385	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-33.7	-178.8	46.1	0	0	0	0	111.7	A761 L783	A761-S763 PolarHBondContact O-N 2.79Å; S763-L783 PolarHBondContact N-O 2.85Å; S763-L783 WeakPolarHBondContact OG-CB 3.31Å; S763-L783 VanDerWaalsContact OG-CD2 3.27Å; S763-L783 WeakPolarHBondContact OG-CD2 3.38Å; S763-L783 VanDerWaalsContact OG-CG 3.27Å; S763-L783 WeakPolarHBondContact OG-CG 3.39Å; S763-L783 PolarHBondContact OG-O 3.13Å; S763-L783 VanDerWaalsContact OG-O 3.08Å
764	S	51.2	Low	44.7	Very low	70 Å²	70	68.1 Å²	68.1	49%	0.49	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	143.2	173.3	-172.8	0	0	0	0	111.7	F782 L783	S764-F782 WeakPolarHBondContact O-CA 3.31Å; S764-L783 PolarHBondContact O-N 2.77Å
765	P	50.1	Low	45.8	Very low	29 Å²	29	68.4 Å²	68.4	19%	0.188	42%	0.421	C	S	.	.	S	Bend	cis	-72.2	177.7	-12.2	29.1	-28.1	0	0	0	111.1	D769 V770 E781	P765-D769 HydrophobicContact CB-CB 3.97Å; P765-D769 HydrophobicContact CG-CB 4.5Å; P765-V770 HydrophobicContact CG-CG2 3.66Å; P765-E781 WeakPolarHBondContact CD-O 3.22Å
766	S	52.5	Low	47.3	Very low	54 Å²	54	69.3 Å²	69.3	38%	0.378	42%	0.417	S	S	.	.			trans	-58.6	152.2	179.7	78.4	0	0	0	0	110.8	T768 D769 V770	S766-T768 PolarHBondContact O-N 3.24Å; S766-T768 VanDerWaalsContact O-N 3.07Å; S766-D769 PolarHBondContact O-N 2.77Å; S766-D769 PolarHBondContact OG-N 2.69Å; S766-D769 PolarHBondContact OG-OD2 2.83Å; S766-V770 PolarHBondContact O-N 3.06Å
767	A	50	Low	48.4	Very low	56 Å²	56	69.1 Å²	69.1	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-52.6	-35.1	177.6	0	0	0	0	0	112.4	L762 Y771	L762-A767 HydrophobicContact CD1-CB 4.06Å; A767-Y771 WeakPolarHBondContact O-CB 2.91Å; A767-Y771 PolarHBondContact O-N 3.34Å
768	T	47.7	Very low	49.4	Very low	90 Å²	90	65.3 Å²	65.3	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-65.8	-41.1	175.5	-47.4	0	0	0	0	112.7	S766 Y771 K772	S766-T768 PolarHBondContact O-N 3.24Å; S766-T768 VanDerWaalsContact O-N 3.07Å; T768-Y771 PolarHBondContact O-N 2.79Å; T768-K772 WeakPolarHBondContact O-CG 3.43Å; T768-K772 PolarHBondContact O-N 3.2Å
769	D	58.9	Low	50.6	Low	67 Å²	67	70.3 Å²	70.3	36%	0.358	44%	0.444	S	S	.	.	H	α-helix	trans	-74.7	-38.4	-179.6	-64.1	-42.7	0	0	0	111.7	P765 S766 Y771 K772 Q773	P765-D769 HydrophobicContact CB-CB 3.97Å; P765-D769 HydrophobicContact CG-CB 4.5Å; S766-D769 PolarHBondContact O-N 2.77Å; S766-D769 PolarHBondContact OG-N 2.69Å; S766-D769 PolarHBondContact OG-OD2 2.83Å; D769-Y771 VanDerWaalsContact C-N 3.29Å; D769-Y771 PolarHBondContact O-N 2.87Å; D769-K772 PolarHBondContact O-N 3.16Å; D769-Q773 WeakPolarHBondContact O-CG 3.33Å; D769-Q773 PolarHBondContact O-N 3.16Å
770	V	55.5	Low	51.8	Low	3 Å²	3	66.1 Å²	66.1	2%	0.018	42%	0.415	C	S	.	.	H	α-helix	trans	-56.3	-47.1	169.3	174.9	0	0	0	0	109.7	L762 P765 S766 K772 Q773 M774 F780 F782	L762-V770 HydrophobicContact CD2-CG2 4.37Å; P765-V770 HydrophobicContact CG-CG2 3.66Å; S766-V770 PolarHBondContact O-N 3.06Å; V770-K772 PolarHBondContact O-N 2.87Å; V770-Q773 PolarHBondContact O-N 3.4Å; V770-M774 HydrophobicContact CG1-CE 3.95Å; V770-M774 HydrophobicContact CG1-CG 4.35Å; V770-M774 HydrophobicContact CG1-SD 4.09Å; V770-M774 WeakPolarHBondContact O-CB 3.39Å; V770-M774 VanDerWaalsContact O-CG 3.31Å; V770-M774 WeakPolarHBondContact O-CG 3.29Å; V770-M774 PolarHBondContact O-N 2.79Å; V770-F780 HydrophobicContact CG1-CD2 3.71Å; V770-F780 HydrophobicContact CG1-CE2 3.72Å; V770-F782 HydrophobicContact CG2-CB 4.27Å
771	Y	49.6	Very low	52.9	Low	97 Å²	97	73.2 Å²	73.2	38%	0.38	45%	0.445	S	S	.	.	H	α-helix	trans	-59.7	-45.8	176.8	-177.1	-95.6	0	0	0	112.1	A767 T768 D769 Q773 M774 C775	A767-Y771 WeakPolarHBondContact O-CB 2.91Å; A767-Y771 PolarHBondContact O-N 3.34Å; T768-Y771 PolarHBondContact O-N 2.79Å; D769-Y771 VanDerWaalsContact C-N 3.29Å; D769-Y771 PolarHBondContact O-N 2.87Å; Y771-Q773 PolarHBondContact O-N 2.84Å; Y771-M774 PolarHBondContact O-N 2.83Å; Y771-C775 WeakPolarHBondContact CE1-SG 3.47Å; Y771-C775 VanDerWaalsContact CZ-SG 3.5Å; Y771-C775 WeakPolarHBondContact O-CB 3.12Å; Y771-C775 PolarHBondContact O-N 2.83Å; Y771-C775 PolarHBondContact O-SG 2.76Å
772	K	54.3	Low	53.7	Low	127 Å²	127	73.8 Å²	73.8	55%	0.552	44%	0.435	S	S	*	.	H	α-helix	trans	-58.9	-46.9	175.8	-76.5	176.1	-177.9	170.9	0	112.2	T768 D769 V770 C775 T776	T768-K772 WeakPolarHBondContact O-CG 3.43Å; T768-K772 PolarHBondContact O-N 3.2Å; D769-K772 PolarHBondContact O-N 3.16Å; V770-K772 PolarHBondContact O-N 2.87Å; K772-C775 PolarHBondContact O-N 2.74Å; K772-T776 WeakPolarHBondContact O-CG2 3.33Å; K772-T776 PolarHBondContact O-N 2.89Å
773	Q	58.3	Low	54.1	Low	79 Å²	79	75.5 Å²	75.5	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-42.3	178.7	-69.3	-179.4	8.3	0	0	111.2	D769 V770 Y771 C775 T776 F780	D769-Q773 WeakPolarHBondContact O-CG 3.33Å; D769-Q773 PolarHBondContact O-N 3.16Å; V770-Q773 PolarHBondContact O-N 3.4Å; Y771-Q773 PolarHBondContact O-N 2.84Å; Q773-C775 PolarHBondContact O-N 3.04Å; Q773-T776 PolarHBondContact O-N 3.35Å; Q773-T776 VanDerWaalsContact O-N 3.14Å; Q773-T776 PolarHBondContact O-OG1 2.78Å; Q773-F780 HydrophobicContact CB-CB 3.77Å
774	M	49.8	Very low	54.2	Low	50 Å²	50	74.5 Å²	74.5	25%	0.246	44%	0.437	C	S	.	.	H	α-helix	trans	-60.6	-42.5	173.9	-76.8	179.2	166.2	0	0	112.8	F742 V770 Y771 T776 G777 F780 L810	F742-M774 HydrophobicContact CE1-CE 3.93Å; F742-M774 HydrophobicContact CE1-SD 4.08Å; F742-M774 HydrophobicContact CE2-CE 4.37Å; F742-M774 HydrophobicContact CE2-SD 3.98Å; F742-M774 HydrophobicContact CZ-CE 3.67Å; F742-M774 HydrophobicContact CZ-SD 3.3Å; F742-M774 WeakPolarHBondContact CZ-SD 3.43Å; V770-M774 HydrophobicContact CG1-CE 3.95Å; V770-M774 HydrophobicContact CG1-CG 4.35Å; V770-M774 HydrophobicContact CG1-SD 4.09Å; V770-M774 WeakPolarHBondContact O-CB 3.39Å; V770-M774 VanDerWaalsContact O-CG 3.31Å; V770-M774 WeakPolarHBondContact O-CG 3.29Å; V770-M774 PolarHBondContact O-N 2.79Å; Y771-M774 PolarHBondContact O-N 2.83Å; M774-T776 PolarHBondContact O-N 3.16Å; M774-G777 PolarHBondContact O-N 2.88Å; M774-F780 HydrophobicContact CE-CD2 4.45Å; M774-F780 HydrophobicContact CE-CE1 3.61Å; M774-F780 HydrophobicContact CE-CE2 3.45Å; M774-F780 VanDerWaalsContact CE-CE2 3.45Å; M774-F780 HydrophobicContact CE-CZ 2.98Å; M774-F780 HydrophobicContact CG-CD1 3.55Å; M774-F780 HydrophobicContact CG-CD2 4.45Å; M774-F780 HydrophobicContact CG-CE1 3.32Å; M774-F780 HydrophobicContact CG-CE2 4.24Å; M774-F780 HydrophobicContact CG-CG 4.16Å; M774-F780 HydrophobicContact CG-CZ 3.75Å; M774-F780 HydrophobicContact SD-CE1 4.27Å; M774-F780 HydrophobicContact SD-CZ 4.14Å; M774-L810 HydrophobicContact CE-CD1 4.23Å
775	C	49.5	Very low	54.2	Low	84 Å²	84	75.2 Å²	75.2	57%	0.568	44%	0.436	S	S	*	.	H	α-helix	trans	-63	-26.5	176.9	-75	0	0	0	0	112.9	Y771 K772 Q773 G777	Y771-C775 WeakPolarHBondContact CE1-SG 3.47Å; Y771-C775 VanDerWaalsContact CZ-SG 3.5Å; Y771-C775 WeakPolarHBondContact O-CB 3.12Å; Y771-C775 PolarHBondContact O-N 2.83Å; Y771-C775 PolarHBondContact O-SG 2.76Å; K772-C775 PolarHBondContact O-N 2.74Å; Q773-C775 PolarHBondContact O-N 3.04Å; C775-G777 PolarHBondContact O-N 3.46Å
776	T	56.8	Low	54.1	Low	114 Å²	114	78.7 Å²	78.7	70%	0.699	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.2	173.8	62.7	0	0	0	0	113.6	K772 Q773 M774 G778	K772-T776 WeakPolarHBondContact O-CG2 3.33Å; K772-T776 PolarHBondContact O-N 2.89Å; Q773-T776 PolarHBondContact O-N 3.35Å; Q773-T776 VanDerWaalsContact O-N 3.14Å; Q773-T776 PolarHBondContact O-OG1 2.78Å; M774-T776 PolarHBondContact O-N 3.16Å; T776-G778 PolarHBondContact O-N 2.8Å
777	G	51	Low	53.8	Low	73 Å²	73	80.4 Å²	80.4	75%	0.753	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	6.4	-178.1	0	0	0	0	0	114.3	M774 C775	M774-G777 PolarHBondContact O-N 2.88Å; C775-G777 PolarHBondContact O-N 3.46Å
778	G	53.9	Low	53.6	Low	29 Å²	29	80.5 Å²	80.5	30%	0.299	46%	0.458	S	S	.	.			trans	-81.8	162.3	176.6	0	0	0	0	0	112.8	T776	T776-G778 PolarHBondContact O-N 2.8Å
779	P	59.4	Low	53.1	Low	134 Å²	134	85.2 Å²	85.2	87%	0.87	47%	0.471	S	S	*	.			trans	-62.6	141.6	168.2	28.2	-32.8	0	0	0	109.9
780	F	59.9	Low	52.2	Low	44 Å²	44	85.7 Å²	85.7	19%	0.193	47%	0.471	C	S	.	.			trans	-134.2	145.8	173.9	65.8	-80.9	0	0	0	108.9	V770 Q773 M774 F782 L810	V770-F780 HydrophobicContact CG1-CD2 3.71Å; V770-F780 HydrophobicContact CG1-CE2 3.72Å; Q773-F780 HydrophobicContact CB-CB 3.77Å; M774-F780 HydrophobicContact CE-CD2 4.45Å; M774-F780 HydrophobicContact CE-CE1 3.61Å; M774-F780 HydrophobicContact CE-CE2 3.45Å; M774-F780 VanDerWaalsContact CE-CE2 3.45Å; M774-F780 HydrophobicContact CE-CZ 2.98Å; M774-F780 HydrophobicContact CG-CD1 3.55Å; M774-F780 HydrophobicContact CG-CD2 4.45Å; M774-F780 HydrophobicContact CG-CE1 3.32Å; M774-F780 HydrophobicContact CG-CE2 4.24Å; M774-F780 HydrophobicContact CG-CG 4.16Å; M774-F780 HydrophobicContact CG-CZ 3.75Å; M774-F780 HydrophobicContact SD-CE1 4.27Å; M774-F780 HydrophobicContact SD-CZ 4.14Å; F780-F782 HydrophobicContact CD2-CD1 4.04Å; F780-F782 AromaticContact CE2-CD1 3.49Å; F780-F782 HydrophobicContact CE2-CD1 3.49Å; F780-F782 VanDerWaalsContact CE2-CD1 3.49Å; F780-F782 AromaticContact CE2-CE1 3.98Å; F780-F782 HydrophobicContact CE2-CE1 3.98Å; F780-F782 HydrophobicContact CE2-CG 4.43Å; F780-F782 HydrophobicContact CZ-CD1 4.45Å; F780-L810 HydrophobicContact CZ-CD2 4.36Å
781	E	61.1	Low	51.3	Low	171 Å²	171	97.7 Å²	97.7	80%	0.799	52%	0.516	S	S	*	.			trans	-105.2	142.9	171.6	-70.3	-175.5	166	0	0	108.9	P765	P765-E781 WeakPolarHBondContact CD-O 3.22Å
782	F	60.1	Low	50.8	Low	82 Å²	82	103.4 Å²	103.4	36%	0.36	54%	0.536	S	S	.	.			trans	-139	144.4	173.4	68.7	-84.4	0	0	0	110.5	L762 S764 V770 F780	L762-F782 HydrophobicContact CD2-CB 3.61Å; L762-F782 HydrophobicContact CD2-CD2 3.6Å; L762-F782 HydrophobicContact CD2-CG 3.93Å; S764-F782 WeakPolarHBondContact O-CA 3.31Å; V770-F782 HydrophobicContact CG2-CB 4.27Å; F780-F782 HydrophobicContact CD2-CD1 4.04Å; F780-F782 AromaticContact CE2-CD1 3.49Å; F780-F782 HydrophobicContact CE2-CD1 3.49Å; F780-F782 VanDerWaalsContact CE2-CD1 3.49Å; F780-F782 AromaticContact CE2-CE1 3.98Å; F780-F782 HydrophobicContact CE2-CE1 3.98Å; F780-F782 HydrophobicContact CE2-CG 4.43Å; F780-F782 HydrophobicContact CZ-CD1 4.45Å
783	L	54.4	Low	50.1	Low	77 Å²	77	103.9 Å²	103.9	40%	0.403	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	129	173.2	-168.8	73.5	0	0	0	108.9	S763 S764 L818	S763-L783 PolarHBondContact N-O 2.85Å; S763-L783 WeakPolarHBondContact OG-CB 3.31Å; S763-L783 VanDerWaalsContact OG-CD2 3.27Å; S763-L783 WeakPolarHBondContact OG-CD2 3.38Å; S763-L783 VanDerWaalsContact OG-CG 3.27Å; S763-L783 WeakPolarHBondContact OG-CG 3.39Å; S763-L783 PolarHBondContact OG-O 3.13Å; S763-L783 VanDerWaalsContact OG-O 3.08Å; S764-L783 PolarHBondContact O-N 2.77Å; L783-L818 HydrophobicContact CD1-CD1 4.36Å
784	S	53.7	Low	49.2	Very low	35 Å²	35	102 Å²	102	25%	0.245	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125	173.8	-174.5	0	0	0	0	109
785	N	51.6	Low	48.6	Very low	85 Å²	85	106.4 Å²	106.4	46%	0.455	57%	0.568	S	S	.	*			trans	-88.9	121.5	176.5	-70.8	-13.7	0	0	0	109.4
786	M	47.4	Very low	48.1	Very low	101 Å²	101	105.9 Å²	105.9	50%	0.498	56%	0.556	S	S	.	*			trans	-103	128.8	176.1	-64.9	-177.4	156.3	0	0	110.2	P788 Y798	M786-P788 WeakPolarHBondContact O-CD 2.82Å; M786-Y798 HydrophobicContact CE-CD1 4Å; M786-Y798 HydrophobicContact CE-CD2 3.62Å; M786-Y798 HydrophobicContact CE-CE1 3.75Å; M786-Y798 HydrophobicContact CE-CE2 3.37Å; M786-Y798 HydrophobicContact CE-CG 3.93Å; M786-Y798 VanDerWaalsContact CE-CZ 3.47Å; M786-Y798 HydrophobicContact SD-CE2 4.01Å
787	C	47.4	Very low	47.2	Very low	90 Å²	90	102.3 Å²	102.3	61%	0.608	53%	0.534	S	S	*	.			trans	-120.1	80.7	174.3	-67.7	0	0	0	0	109.9	F789	C787-F789 PolarHBondContact O-N 2.77Å
788	P	44.2	Very low	46.6	Very low	59 Å²	59	99.6 Å²	99.6	38%	0.383	50%	0.501	S	S	.	.			trans	-65.4	123.2	172.3	27.1	-31.3	0	0	0	109.2	M786 E790 F796	M786-P788 WeakPolarHBondContact O-CD 2.82Å; P788-E790 VanDerWaalsContact C-N 3.29Å; P788-F796 HydrophobicContact CB-CE1 4.43Å; P788-F796 HydrophobicContact CB-CE2 4.17Å; P788-F796 HydrophobicContact CB-CZ 3.78Å
789	F	38.8	Very low	45.8	Very low	189 Å²	189	102.8 Å²	102.8	83%	0.829	50%	0.504	S	S	*	.			trans	-82.5	-2.9	178.1	-101.7	-85.5	0	0	0	113.7	C787	C787-F789 PolarHBondContact O-N 2.77Å
790	E	38.7	Very low	45	Very low	77 Å²	77	98.1 Å²	98.1	36%	0.36	47%	0.472	S	S	.	.			trans	-97.9	136.7	-176.6	-75.7	-170.6	158.5	0	0	113.8	I756 P788 R792 S794	I756-E790 HydrophobicContact CD1-CG 4.1Å; P788-E790 VanDerWaalsContact C-N 3.29Å; E790-R792 VanDerWaalsContact C-N 3.29Å; E790-R792 PolarHBondContact O-N 3.08Å; E790-S794 PolarHBondContact OE2-OG 2.99Å
791	R	38.1	Very low	44	Very low	255 Å²	255	97.6 Å²	97.6	96%	0.962	47%	0.471	S	S	*	.	S	Bend	trans	-83.3	9.6	175.5	-72.7	-175.2	173.8	178.3	-1.7	114.3
792	R	38.3	Very low	43	Very low	216 Å²	216	92 Å²	92	82%	0.815	44%	0.442	S	S	*	.	S	Bend	trans	-119.3	154.4	-174.8	-65	-172.9	179.7	-175.5	1.4	110.8	E790 S794	E790-R792 VanDerWaalsContact C-N 3.29Å; E790-R792 PolarHBondContact O-N 3.08Å; R792-S794 VanDerWaalsContact C-N 3.33Å; R792-S794 PolarHBondContact O-N 2.76Å; R792-S794 PolarHBondContact O-OG 3.27Å
793	C	38.5	Very low	41.9	Very low	138 Å²	138	92.4 Å²	92.4	93%	0.932	45%	0.447	S	S	*	.			trans	-64.5	90.1	176.5	-67.6	0	0	0	0	109.8
794	S	39.8	Very low	41.1	Very low	38 Å²	38	92.2 Å²	92.2	27%	0.266	45%	0.449	S	S	.	.			trans	-104.3	136	179.9	-58	0	0	0	0	109.8	E790 R792 F796	E790-S794 PolarHBondContact OE2-OG 2.99Å; R792-S794 VanDerWaalsContact C-N 3.33Å; R792-S794 PolarHBondContact O-N 2.76Å; R792-S794 PolarHBondContact O-OG 3.27Å; S794-F796 VanDerWaalsContact O-CD2 3.3Å; S794-F796 WeakPolarHBondContact O-CD2 3.28Å; S794-F796 WeakPolarHBondContact O-CE2 3.48Å
795	F	37.1	Very low	40.2	Very low	144 Å²	144	98.4 Å²	98.4	63%	0.632	48%	0.479	S	S	*	.			trans	-75.4	125.6	166	-81.8	-88.9	0	0	0	108.4	P749	P749-F795 WeakPolarHBondContact CD-O 3.14Å; P749-F795 HydrophobicContact CG-CB 3.95Å
796	F	39	Very low	39.5	Very low	73 Å²	73	96.8 Å²	96.8	32%	0.32	48%	0.483	S	S	.	.			trans	-109.4	120.9	175.4	-64.3	-84.6	0	0	0	109.7	T748 P788 S794 Y798	T748-F796 HydrophobicContact CG2-CD1 4.5Å; T748-F796 HydrophobicContact CG2-CE1 4.47Å; P788-F796 HydrophobicContact CB-CE1 4.43Å; P788-F796 HydrophobicContact CB-CE2 4.17Å; P788-F796 HydrophobicContact CB-CZ 3.78Å; S794-F796 VanDerWaalsContact O-CD2 3.3Å; S794-F796 WeakPolarHBondContact O-CD2 3.28Å; S794-F796 WeakPolarHBondContact O-CE2 3.48Å; F796-Y798 HydrophobicContact CB-CD2 4.15Å; F796-Y798 HydrophobicContact CB-CE2 3.67Å; F796-Y798 HydrophobicContact CG-CE2 4.39Å
797	T	38.7	Very low	39.1	Very low	38 Å²	38	99.3 Å²	99.3	23%	0.233	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.9	168.1	-53.1	0	0	0	0	108.4	T746 T747 W799	T746-T797 WeakPolarHBondContact CA-O 3.24Å; T747-T797 PolarHBondContact N-O 3.07Å; T747-T797 VanDerWaalsContact N-O 3.07Å; T747-T797 PolarHBondContact O-N 3.17Å; T797-W799 HydrophobicContact CG2-CZ2 4.44Å
798	Y	38.3	Very low	38.8	Very low	17 Å²	17	97.8 Å²	97.8	7%	0.067	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.3	176.7	-76.5	-96.4	0	0	0	110.6	N745 T746 M786 F796	N745-Y798 WeakPolarHBondContact O-CA 3.49Å; T746-Y798 HydrophobicContact CG2-CD1 3.29Å; T746-Y798 HydrophobicContact CG2-CD2 4.14Å; T746-Y798 HydrophobicContact CG2-CE1 2.94Å; T746-Y798 HydrophobicContact CG2-CE2 3.84Å; T746-Y798 HydrophobicContact CG2-CG 3.88Å; M786-Y798 HydrophobicContact CE-CD1 4Å; M786-Y798 HydrophobicContact CE-CD2 3.62Å; M786-Y798 HydrophobicContact CE-CE1 3.75Å; M786-Y798 HydrophobicContact CE-CE2 3.37Å; M786-Y798 HydrophobicContact CE-CG 3.93Å; M786-Y798 VanDerWaalsContact CE-CZ 3.47Å; M786-Y798 HydrophobicContact SD-CE2 4.01Å; F796-Y798 HydrophobicContact CB-CD2 4.15Å; F796-Y798 HydrophobicContact CB-CE2 3.67Å; F796-Y798 HydrophobicContact CG-CE2 4.39Å
799	W	37.8	Very low	38.8	Very low	96 Å²	96	99.4 Å²	99.4	36%	0.364	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.5	177	-58.3	82	0	0	0	109.3	F744 N745 T747 T797 T835	F744-W799 VanDerWaalsContact CA-O 3.25Å; F744-W799 WeakPolarHBondContact CA-O 3.37Å; N745-W799 HydrophobicContact CB-CB 4.29Å; N745-W799 PolarHBondContact N-O 2.79Å; N745-W799 VanDerWaalsContact N-O 3.16Å; N745-W799 VanDerWaalsContact O-CD1 3.31Å; N745-W799 PolarHBondContact O-N 3.22Å; T747-W799 PolarHBondContact OG1-NE1 3.03Å; T797-W799 HydrophobicContact CG2-CZ2 4.44Å; W799-T835 WeakPolarHBondContact CZ3-OG1 3.33Å
800	I	41.4	Very low	39.2	Very low	36 Å²	36	94.1 Å²	94.1	19%	0.185	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	100.9	171.1	-56.5	-179.6	0	0	0	107.8	F742 F744 R802 L834	F742-I800 HydrophobicContact CD1-CG2 4.28Å; F744-I800 HydrophobicContact CD1-CD1 4.44Å; F744-I800 HydrophobicContact CD1-CG1 3.77Å; F744-I800 HydrophobicContact CE1-CB 4.46Å; F744-I800 HydrophobicContact CE1-CD1 3.76Å; F744-I800 HydrophobicContact CE1-CG1 3.54Å; F744-I800 HydrophobicContact CE1-CG2 4.35Å; I800-R802 PolarHBondContact O-N 2.82Å; I800-L834 HydrophobicContact CB-CD2 4.2Å; I800-L834 HydrophobicContact CD1-CD1 4.45Å; I800-L834 HydrophobicContact CD1-CD2 3.58Å; I800-L834 HydrophobicContact CG1-CD2 3.55Å
801	N	38.7	Very low	39.7	Very low	32 Å²	32	97.4 Å²	97.4	17%	0.171	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.5	177	-70.4	-26.8	0	0	0	110	I743	I743-N801 HydrophobicContact CB-CB 4.14Å; I743-N801 PolarHBondContact O-N 3.39Å
802	R	41	Very low	40.4	Very low	54 Å²	54	88.5 Å²	88.5	20%	0.204	49%	0.487	C	S	.	.			trans	-99.5	128.6	172.6	180	-179.9	-178.5	-127.8	-4.8	108.9	I800 V804 G806 A808	I800-R802 PolarHBondContact O-N 2.82Å; R802-V804 HydrophobicContact CG-CB 4.05Å; R802-V804 HydrophobicContact CG-CG2 3.55Å; R802-V804 VanDerWaalsContact CZ-CB 3.44Å; R802-V804 VanDerWaalsContact NH2-CB 3.33Å; R802-G806 PolarHBondContact NH1-O 3.37Å; R802-G806 VanDerWaalsContact NH1-O 3.12Å; R802-A808 PolarHBondContact NH1-O 2.81Å
803	I	36.6	Very low	41	Very low	90 Å²	90	84.7 Å²	84.7	46%	0.462	49%	0.488	S	S	.	.			trans	-102.3	87.7	166.6	-53.4	170.7	0	0	0	106.9	V841	I803-V841 HydrophobicContact CG2-CG2 4.08Å
804	V	37.9	Very low	41.5	Very low	73 Å²	73	83.8 Å²	83.8	44%	0.442	47%	0.474	S	S	.	.			trans	-142.4	132.7	171.5	-171.8	0	0	0	0	110.9	R802 G806	R802-V804 HydrophobicContact CG-CB 4.05Å; R802-V804 HydrophobicContact CG-CG2 3.55Å; R802-V804 VanDerWaalsContact CZ-CB 3.44Å; R802-V804 VanDerWaalsContact NH2-CB 3.33Å; V804-G806 PolarHBondContact O-N 2.77Å
805	N	35.2	Very low	42.3	Very low	165 Å²	165	85.5 Å²	85.5	88%	0.882	48%	0.483	S	S	*	.	S	Bend	trans	-60.6	98.2	165.9	-77.1	-19.3	0	0	0	110.1
806	G	37.4	Very low	43.1	Very low	51 Å²	51	83.6 Å²	83.6	53%	0.526	48%	0.483	S	S	.	.	S	Bend	trans	130.6	150.2	165.3	0	0	0	0	0	116.1	R802 V804 A808	R802-G806 PolarHBondContact NH1-O 3.37Å; R802-G806 VanDerWaalsContact NH1-O 3.12Å; V804-G806 PolarHBondContact O-N 2.77Å; G806-A808 PolarHBondContact O-N 3.17Å
807	T	37.8	Very low	43.9	Very low	155 Å²	155	84 Å²	84	95%	0.951	49%	0.488	S	S	*	.			trans	-60.2	18.7	-167.9	41	0	0	0	0	117.5	A809	T807-A809 PolarHBondContact O-N 2.92Å; T807-A809 VanDerWaalsContact O-N 3.12Å
808	A	41.4	Very low	44.7	Very low	57 Å²	57	87.2 Å²	87.2	47%	0.471	50%	0.503	S	S	.	.			trans	-72.3	109.3	179.8	0	0	0	0	0	111.1	R802 G806	R802-A808 PolarHBondContact NH1-O 2.81Å; G806-A808 PolarHBondContact O-N 3.17Å
809	A	43.4	Very low	45.3	Very low	94 Å²	94	90.3 Å²	90.3	78%	0.777	52%	0.524	S	S	*	.			trans	-71.9	132.7	167.5	0	0	0	0	0	109.5	T807 N811	T807-A809 PolarHBondContact O-N 2.92Å; T807-A809 VanDerWaalsContact O-N 3.12Å; A809-N811 PolarHBondContact O-N 3.45Å
810	L	48.2	Very low	45.8	Very low	78 Å²	78	95 Å²	95	41%	0.408	54%	0.543	S	S	.	.			trans	-82.5	107.7	177.3	-141.8	141.3	0	0	0	107.7	M774 F780 I812	M774-L810 HydrophobicContact CE-CD1 4.23Å; F780-L810 HydrophobicContact CZ-CD2 4.36Å; L810-I812 HydrophobicContact CD2-CD1 4.25Å; L810-I812 HydrophobicContact CD2-CG1 3.92Å
811	N	48.3	Very low	46	Very low	146 Å²	146	96.2 Å²	96.2	78%	0.781	56%	0.564	S	S	*	*			trans	-91.8	111.6	-177.9	-157.7	4.6	0	0	0	109.5	A809	A809-N811 PolarHBondContact O-N 3.45Å
812	I	53.2	Low	46.3	Very low	68 Å²	68	100.7 Å²	100.7	35%	0.349	59%	0.593	S	S	.	*			trans	-99.7	114.5	-177.8	-65.9	164.3	0	0	0	108.2	L810 V815 L834	L810-I812 HydrophobicContact CD2-CD1 4.25Å; L810-I812 HydrophobicContact CD2-CG1 3.92Å; I812-V815 HydrophobicContact CG2-CG2 3.73Å; I812-L834 HydrophobicContact CD1-CD1 3.05Å; I812-L834 HydrophobicContact CD1-CG 4.47Å
813	T	51.3	Low	46.4	Very low	136 Å²	136	105 Å²	105	83%	0.834	62%	0.62	S	S	*	*			trans	-88.9	-30.5	-175.7	48.1	0	0	0	0	113
814	N	50	Low	46.7	Very low	119 Å²	119	104.1 Å²	104.1	64%	0.636	62%	0.619	S	S	*	*			trans	-149.9	144.1	-177.3	-166.9	10.3	0	0	0	111.4
815	V	55.8	Low	46.8	Very low	74 Å²	74	111.7 Å²	111.7	45%	0.448	64%	0.64	S	S	.	*			trans	-131.2	111.2	171.8	179.9	0	0	0	0	107.8	I812 I817 L832	I812-V815 HydrophobicContact CG2-CG2 3.73Å; V815-I817 HydrophobicContact CG1-CG1 4.37Å; V815-L832 HydrophobicContact CG2-CD2 4.39Å
816	T	53.6	Low	47.1	Very low	104 Å²	104	108.3 Å²	108.3	64%	0.638	62%	0.621	S	S	*	*			trans	-100.4	123.9	174.9	-52.5	0	0	0	0	109.1
817	I	57	Low	47.2	Very low	80 Å²	80	109.2 Å²	109.2	41%	0.41	62%	0.619	S	S	.	*			trans	-102.2	122.1	174.9	-56.8	-178.1	0	0	0	108.8	V815 L826 F830	V815-I817 HydrophobicContact CG1-CG1 4.37Å; I817-L826 HydrophobicContact CG2-CD1 3.67Å; I817-F830 HydrophobicContact CD1-CD1 4.21Å; I817-F830 HydrophobicContact CD1-CD2 4.21Å; I817-F830 HydrophobicContact CD1-CE1 3.57Å; I817-F830 HydrophobicContact CD1-CE2 3.57Å; I817-F830 HydrophobicContact CD1-CZ 3.22Å; I817-F830 HydrophobicContact CG1-CZ 4.22Å
818	L	54.7	Low	47.1	Very low	107 Å²	107	109.2 Å²	109.2	56%	0.56	62%	0.619	S	S	*	*			trans	-105.9	127.1	173.5	-65.2	168.4	0	0	0	108.6	L783 Y820	L783-L818 HydrophobicContact CD1-CD1 4.36Å; L818-Y820 HydrophobicContact CB-CE2 4.29Å
819	T	49.7	Very low	46.9	Very low	82 Å²	82	110.4 Å²	110.4	50%	0.503	62%	0.624	S	S	.	*			trans	-97	132.4	171.6	52.6	0	0	0	0	109.8	V824 L826	T819-V824 HydrophobicContact CG2-CG1 4.35Å; T819-L826 HydrophobicContact CG2-CD1 3.62Å
820	Y	49.4	Very low	46.6	Very low	194 Å²	194	111.3 Å²	111.3	76%	0.761	61%	0.611	S	S	*	*			trans	-114.2	118.4	170.2	-76.1	-86	0	0	0	108.7	L818	L818-Y820 HydrophobicContact CB-CE2 4.29Å
821	G	45.7	Very low	46.1	Very low	61 Å²	61	112.4 Å²	112.4	63%	0.629	63%	0.625	S	S	*	*	S	Bend	trans	103.9	155.1	-179.2	0	0	0	0	0	113.9	D823	G821-D823 VanDerWaalsContact C-N 3.32Å; G821-D823 PolarHBondContact O-N 2.84Å
822	T	45.6	Very low	45.7	Very low	126 Å²	126	109 Å²	109	77%	0.773	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-11.4	-173.9	48.8	0	0	0	0	114.6
823	D	43	Very low	44.9	Very low	144 Å²	144	111.4 Å²	111.4	77%	0.77	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	6	-165.3	-62.3	-7.2	0	0	0	113.7	G821	G821-D823 VanDerWaalsContact C-N 3.32Å; G821-D823 PolarHBondContact O-N 2.84Å
824	V	41.9	Very low	44.2	Very low	73 Å²	73	107.7 Å²	107.7	44%	0.442	60%	0.595	S	S	.	*			trans	-102.1	101.2	178	-174.5	0	0	0	0	110	T819	T819-V824 HydrophobicContact CG2-CG1 4.35Å
825	W	40.6	Very low	43.3	Very low	232 Å²	232	105.1 Å²	105.1	88%	0.879	58%	0.583	S	S	*	*			trans	-93	112.6	171.2	-70	72.7	0	0	0	109.6
826	L	41.7	Very low	42.2	Very low	93 Å²	93	105.3 Å²	105.3	49%	0.487	59%	0.588	S	S	.	*			trans	-88.5	131.1	169.3	-78.7	157.5	0	0	0	109.3	I817 T819	I817-L826 HydrophobicContact CG2-CD1 3.67Å; T819-L826 HydrophobicContact CG2-CD1 3.62Å
827	S	38.3	Very low	41	Very low	71 Å²	71	105.8 Å²	105.8	50%	0.497	58%	0.583	S	S	.	*			trans	-54.5	140.6	166.7	160.3	0	0	0	0	109.6	S829	S827-S829 WeakPolarHBondContact CB-O 3.42Å; S827-S829 PolarHBondContact O-N 2.85Å; S827-S829 PolarHBondContact OG-N 3.26Å; S827-S829 VanDerWaalsContact OG-N 3.15Å; S827-S829 PolarHBondContact OG-O 3.03Å; S827-S829 PolarHBondContact OG-OG 3.01Å
828	T	36.1	Very low	39.7	Very low	155 Å²	155	107.6 Å²	107.6	95%	0.951	60%	0.6	S	S	*	*	S	Bend	trans	-59.7	-11.9	175	47	0	0	0	0	113.4
829	S	36.7	Very low	38.5	Very low	82 Å²	82	111.8 Å²	111.8	57%	0.573	61%	0.608	S	S	*	*			trans	-127.6	124.3	170.3	55	0	0	0	0	110.4	S827	S827-S829 WeakPolarHBondContact CB-O 3.42Å; S827-S829 PolarHBondContact O-N 2.85Å; S827-S829 PolarHBondContact OG-N 3.26Å; S827-S829 VanDerWaalsContact OG-N 3.15Å; S827-S829 PolarHBondContact OG-O 3.03Å; S827-S829 PolarHBondContact OG-OG 3.01Å
830	F	38.7	Very low	37.4	Very low	113 Å²	113	116.4 Å²	116.4	50%	0.496	63%	0.629	S	S	.	*			trans	-132.9	154.9	166.9	68.4	-88.1	0	0	0	108.4	I817	I817-F830 HydrophobicContact CD1-CD1 4.21Å; I817-F830 HydrophobicContact CD1-CD2 4.21Å; I817-F830 HydrophobicContact CD1-CE1 3.57Å; I817-F830 HydrophobicContact CD1-CE2 3.57Å; I817-F830 HydrophobicContact CD1-CZ 3.22Å; I817-F830 HydrophobicContact CG1-CZ 4.22Å
831	S	36.2	Very low	36.5	Very low	101 Å²	101	115.9 Å²	115.9	71%	0.706	65%	0.645	S	S	*	*			trans	-126.2	123.7	177.2	-51.1	0	0	0	0	108.7
832	L	40.1	Very low	36.1	Very low	75 Å²	75	118.6 Å²	118.6	39%	0.393	65%	0.646	S	S	.	*			trans	-104.3	115.7	173	-175.7	73.1	0	0	0	107.7	V815 L834	V815-L832 HydrophobicContact CG2-CD2 4.39Å; L832-L834 HydrophobicContact CD2-CD1 3.86Å; L832-L834 HydrophobicContact CD2-CG 4.24Å; L832-L834 HydrophobicContact CG-CD1 4.25Å; L832-L834 HydrophobicContact CG-CD2 4.45Å; L832-L834 HydrophobicContact CG-CG 4.09Å
833	N	36.2	Very low	35.6	Very low	118 Å²	118	118.2 Å²	118.2	63%	0.631	64%	0.639	S	S	*	*			trans	-109.4	118.2	178.7	-144.2	-0.9	0	0	0	109
834	L	36.4	Very low	35.2	Very low	58 Å²	58	116.8 Å²	116.8	30%	0.304	63%	0.632	S	S	.	*			trans	-117.7	111.5	-174.9	-68	169.1	0	0	0	109.5	I800 I812 L832	I800-L834 HydrophobicContact CB-CD2 4.2Å; I800-L834 HydrophobicContact CD1-CD1 4.45Å; I800-L834 HydrophobicContact CD1-CD2 3.58Å; I800-L834 HydrophobicContact CG1-CD2 3.55Å; I812-L834 HydrophobicContact CD1-CD1 3.05Å; I812-L834 HydrophobicContact CD1-CG 4.47Å; L832-L834 HydrophobicContact CD2-CD1 3.86Å; L832-L834 HydrophobicContact CD2-CG 4.24Å; L832-L834 HydrophobicContact CG-CD1 4.25Å; L832-L834 HydrophobicContact CG-CD2 4.45Å; L832-L834 HydrophobicContact CG-CG 4.09Å
835	T	31.9	Very low	34.8	Very low	64 Å²	64	119.4 Å²	119.4	39%	0.393	64%	0.643	S	S	.	*			trans	-117.2	134	177.5	42.4	0	0	0	0	110	W799	W799-T835 WeakPolarHBondContact CZ3-OG1 3.33Å
836	S	33.5	Very low	34.4	Very low	78 Å²	78	112.3 Å²	112.3	55%	0.545	63%	0.628	S	S	.	*			trans	-94.3	115.6	173.8	138.5	0	0	0	0	108.5
837	E	28.6	Very low	33.9	Very low	114 Å²	114	113.6 Å²	113.6	53%	0.533	64%	0.638	S	S	.	*			trans	-98.6	120.1	175.1	-150.8	175.6	-137.4	0	0	110.2	R839	E837-R839 PolarHBondContact O-N 3Å; E837-R839 VanDerWaalsContact O-N 3.1Å; E837-R839 IonicContact OE2-NE 3.74Å
838	P	29.6	Very low	33.6	Very low	118 Å²	118	116.6 Å²	116.6	77%	0.766	65%	0.648	S	S	*	*			trans	-75.3	97.1	173.9	28.4	-29.6	0	0	0	109.1
839	R	28.9	Very low	33.4	Very low	196 Å²	196	113.7 Å²	113.7	74%	0.74	63%	0.625	S	S	*	*			trans	-82	117.4	165.6	-74.1	-167.7	178.4	-169.6	-1.3	109.1	E837 V841	E837-R839 PolarHBondContact O-N 3Å; E837-R839 VanDerWaalsContact O-N 3.1Å; E837-R839 IonicContact OE2-NE 3.74Å; R839-V841 PolarHBondContact O-N 2.96Å
840	L	27.3	Very low	33.1	Very low	179 Å²	179	116.3 Å²	116.3	94%	0.937	63%	0.629	S	S	*	*			trans	-56	117.2	166.3	-77.7	150.5	0	0	0	108
841	V	30.2	Very low	32.6	Very low	182 Å²	182	116.6 Å²	116.6	100%	1.103	64%	0.641	S	S	*	*			trans	-84.3	0	168.4	178.5	0	0	0	0	108.8	I803 R839	I803-V841 HydrophobicContact CG2-CG2 4.08Å; R839-V841 PolarHBondContact O-N 2.96Å

Retrieved 841 of 841 residues in 133.2 ms (Link to these results)

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