A0A087XT69_POEFO Loading...

Mediator of RNA polymerase II transcription subunit 16

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A087XT69, Species POEFO (Poecilia formosa, Amazon molly), Gene MED16, Length 831 aa.

						>A0A087XT69_POEFO|A0A087XT69|MED16
MELAYVCDWEKRPKSTHCPSIPLVSSWSCRNLVAFTTDLKNDDDDTKDVSHMIHIIDTEHPWDVFSINSGHSEVISCLEWDQSGSRLLSADGDGRIRCWSMSEHLVNSWESALSSSVDGDPIVALSWLHNGVKLALHVEMSGSTNFGEKFSRVKFSPSLTLFGGKPMEGWLAVTVSGLVTVSLLKPGGALLTASESLCRLRGRVALADIAFTGGGNIVVAATDGSSSSPVQFYKVVVSVVSEKCRIDTELLPSLFLRCTTDPLRRDKYPAVTHLKFLTRENSEQVLLCASNQSGSIVECWSLRKEGLPVNNIFQHRSPVVGEKQPTILKWRILTTTGDLERVSAVALPKLPISISNTDLKVASDTKFCPGLGLALAFHDGSIQILHRLSLHTMGVFYGAAQRPGDDAAIKRPRTTGPALHFKALQFSWTSLALAGVDGHGKLHMLRVSPSMGQVLDMNTTLRHLLFLLEYCMVTGYDWWDVLLHVQPSMVHNLVEKLHEEYMRQNQALQQVLATRIVAVKASLCKLSTATAARACDFHAKLLLIAISSTLKSLLRPHVLNTPDKSPGDRLTEICAKNTDTDIDKVMINLKTEEFVLDGPPLQSLQQLIQWVGDFVLYLLANLPNQGSAVRPGFGFMRDGASLGMLREMLVMIRIWGLLKPGCLPTFTAMSDNQDSMQLLFRLLTKLWLCSRDDGPPQEPDESLIDECCLLPSQLLVPSMDWLPVNDGIIVKLQGKLPLRLQFGKASSLQGVGVSAPLDVFTRSPGAQKMDNLRCIHMGVSPTEESKACTRCGCVTMLRSPNKTNAMKQWEQRWIKNCLCGGLWRRMPPTFT
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	86.8	Confident	88.9	Confident	48 Å²	48	51.8 Å²	51.8	24%	0.236	24%	0.242	C	C	.	.				0	145.8	0	-71.6	177.2	-89.8	0	0	107.8	I382 I384 F396 R446 V447	M1-I382 HydrophobicContact CE-CB 4.47Å; M1-I382 HydrophobicContact CE-CG2 4.13Å; M1-I382 HydrophobicContact SD-CG2 4.37Å; M1-I384 HydrophobicContact CE-CD1 3.64Å; M1-I384 HydrophobicContact CE-CG1 3.62Å; M1-I384 HydrophobicContact CG-CD1 3.88Å; M1-I384 HydrophobicContact SD-CD1 3.45Å; M1-I384 WeakPolarHBondContact SD-CD1 3.5Å; M1-I384 HydrophobicContact SD-CG1 3.93Å; M1-F396 HydrophobicContact CB-CB 4.13Å; M1-F396 HydrophobicContact CB-CD2 4.06Å; M1-F396 HydrophobicContact CB-CG 4.32Å; M1-F396 HydrophobicContact CE-CB 3.53Å; M1-F396 HydrophobicContact SD-CB 4.19Å; M1-R446 CarbonylContact C-O 3.56Å; M1-R446 WeakPolarHBondContact CA-O 3.47Å; M1-V447 HydrophobicContact CG-CG2 4.22Å; M1-V447 HydrophobicContact SD-CG2 4.48Å
2	E	90	Very high	86.8	Confident	98 Å²	98	60.5 Å²	60.5	46%	0.458	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.5	-179.8	-65.8	179.5	175.3	0	0	109.7	A4 L445 R446	E2-A4 PolarHBondContact O-N 3.04Å; E2-L445 CarbonylContact O-C 3.58Å; E2-L445 VanDerWaalsContact O-CA 3.3Å; E2-L445 WeakPolarHBondContact O-CA 3.31Å; E2-R446 HydrophobicContact CB-CB 4.48Å; E2-R446 PolarHBondContact N-O 3.44Å; E2-R446 PolarHBondContact O-N 3.29Å
3	L	92	Very high	84.6	Confident	42 Å²	42	65.5 Å²	65.5	22%	0.22	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.3	175.8	-177	64.7	0	0	0	109.6	V6 F396 H443 L445 P737	L3-V6 HydrophobicContact CD1-CG2 3.9Å; L3-V6 HydrophobicContact CD2-CG2 3.77Å; L3-V6 HydrophobicContact CG-CG2 4.21Å; L3-F396 HydrophobicContact CB-CZ 4.48Å; L3-H443 HydrophobicContact CD1-CB 4.16Å; L3-L445 HydrophobicContact CD1-CG 4.36Å; L3-P737 HydrophobicContact CB-CB 4.13Å; L3-P737 HydrophobicContact CD2-CB 3.87Å; L3-P737 HydrophobicContact CD2-CG 4.48Å; L3-P737 HydrophobicContact CG-CB 3.87Å; L3-P737 WeakPolarHBondContact O-CB 2.99Å
4	A	93.1	Very high	82.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-53.6	176.3	0	0	0	0	0	111.1	E2 M444 R446 L732 P737 L738	E2-A4 PolarHBondContact O-N 3.04Å; A4-M444 WeakPolarHBondContact CA-O 3.21Å; A4-M444 HydrophobicContact CB-CB 4.48Å; A4-M444 HydrophobicContact CB-CG 4.31Å; A4-M444 WeakPolarHBondContact CB-O 3.37Å; A4-M444 PolarHBondContact N-O 3.4Å; A4-R446 HydrophobicContact CB-CG 4.08Å; A4-L732 HydrophobicContact CB-CD1 4.43Å; A4-L732 HydrophobicContact CB-CD2 4.23Å; A4-L732 WeakPolarHBondContact O-CD2 3.39Å; A4-P737 WeakPolarHBondContact O-CA 3.33Å; A4-L738 PolarHBondContact O-N 2.76Å
5	Y	93.9	Very high	80.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.6	174.8	62.5	-102.7	0	0	0	112.2	T58 P61 M444 W479 I728 L732 L738 L740	Y5-T58 PolarHBondContact OH-O 2.98Å; Y5-P61 HydrophobicContact CD2-CB 4.47Å; Y5-P61 HydrophobicContact CD2-CG 4.45Å; Y5-P61 HydrophobicContact CE1-CG 4.38Å; Y5-P61 HydrophobicContact CE2-CB 3.69Å; Y5-P61 HydrophobicContact CE2-CG 3.98Å; Y5-M444 HydrophobicContact CD1-CB 3.88Å; Y5-M444 HydrophobicContact CD1-CG 4.2Å; Y5-M444 HydrophobicContact CD2-CB 3.87Å; Y5-M444 HydrophobicContact CE1-CB 3.64Å; Y5-M444 HydrophobicContact CE1-CG 3.67Å; Y5-M444 HydrophobicContact CE2-CB 3.58Å; Y5-M444 HydrophobicContact CE2-CG 4.39Å; Y5-M444 HydrophobicContact CG-CB 4.01Å; Y5-M444 VanDerWaalsContact CZ-CB 3.47Å; Y5-M444 PolarHBondContact N-O 3.13Å; Y5-M444 PolarHBondContact O-N 3.09Å; Y5-W479 HydrophobicContact CE1-CH2 4.12Å; Y5-W479 HydrophobicContact CE1-CZ2 4.31Å; Y5-I728 HydrophobicContact CD1-CD1 3.91Å; Y5-I728 HydrophobicContact CE1-CD1 4.36Å; Y5-I728 HydrophobicContact CE1-CG2 4.45Å; Y5-I728 HydrophobicContact CG-CD1 4.28Å; Y5-L732 HydrophobicContact CD1-CD1 4.04Å; Y5-L732 HydrophobicContact CD1-CD2 4.19Å; Y5-L732 HydrophobicContact CE1-CD1 4.28Å; Y5-L738 CarbonylContact C-O 3.51Å; Y5-L738 WeakPolarHBondContact CA-O 3.37Å; Y5-L738 WeakPolarHBondContact CB-O 3.18Å; Y5-L740 HydrophobicContact CD2-CD1 3.93Å; Y5-L740 HydrophobicContact CG-CD1 3.97Å
6	V	93.8	Very high	80.3	Confident	21 Å²	21	66.6 Å²	66.6	13%	0.127	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.8	167.8	-175	0	0	0	0	108.2	L3 K441 L442 H443 L738 L740	L3-V6 HydrophobicContact CD1-CG2 3.9Å; L3-V6 HydrophobicContact CD2-CG2 3.77Å; L3-V6 HydrophobicContact CG-CG2 4.21Å; V6-K441 HydrophobicContact CG1-CB 4.35Å; V6-L442 CarbonylContact C-O 3.51Å; V6-L442 VanDerWaalsContact CA-O 3.31Å; V6-L442 WeakPolarHBondContact CA-O 3.43Å; V6-H443 WeakPolarHBondContact CG2-ND1 3.38Å; V6-L738 PolarHBondContact N-O 3.24Å; V6-L740 PolarHBondContact O-N 3.23Å
7	C	93.9	Very high	79.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	172.4	-153.5	0	0	0	0	109.5	P61 L442 L740 F742	C7-P61 PolarHBondContact SG-O 2.72Å; C7-L442 PolarHBondContact N-O 3.27Å; C7-L442 PolarHBondContact O-N 2.96Å; C7-L740 WeakPolarHBondContact CA-O 3.28Å; C7-L740 HydrophobicContact CB-CB 4.29Å; C7-F742 HydrophobicContact CB-CD1 4.25Å; C7-F742 HydrophobicContact CB-CE1 3.7Å; C7-F742 HydrophobicContact CB-CE2 4.25Å; C7-F742 HydrophobicContact CB-CZ 3.7Å; C7-F742 WeakPolarHBondContact SG-CD1 3.41Å; C7-F742 WeakPolarHBondContact SG-CE1 3.38Å
8	D	91.9	Very high	79.5	Confident	42 Å²	42	63.7 Å²	63.7	23%	0.225	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.1	-174.7	-163.1	3.7	0	0	0	111.3	K441 L740 Q741 F742	D8-K441 HydrophobicContact CB-CD 4.19Å; D8-K441 HydrophobicContact CB-CG 4.43Å; D8-K441 WeakPolarHBondContact OD1-CD 3.37Å; D8-K441 VanDerWaalsContact OD1-CE 3.26Å; D8-K441 WeakPolarHBondContact OD1-CE 3.49Å; D8-K441 WeakPolarHBondContact OD1-CG 3.47Å; D8-K441 IonicContact OD1-NZ 3.82Å; D8-K441 WeakPolarHBondContact OD2-CE 3.49Å; D8-K441 IonicContact OD2-NZ 3.59Å; D8-K441 PolarHBondContact OD2-NZ 3.2Å; D8-L740 PolarHBondContact N-O 3.33Å; D8-Q741 WeakPolarHBondContact O-CA 3.49Å; D8-F742 WeakPolarHBondContact O-CD2 3.43Å; D8-F742 PolarHBondContact O-N 2.78Å
9	W	88.3	Confident	79	Confident	35 Å²	35	62.1 Å²	62.1	13%	0.133	31%	0.308	C	S	.	.			trans	-78.9	147.2	173.8	-63.6	98	0	0	0	110.8	K11 H17 F35 H54 V64 G440 F742	W9-K11 PolarHBondContact O-N 3.42Å; W9-H17 HydrophobicContact CD2-CB 4.26Å; W9-H17 AromaticContact CD2-CD2 3.91Å; W9-H17 AromaticContact CE3-CD2 3.68Å; W9-H17 AromaticContact CE3-NE2 3.92Å; W9-H17 HydrophobicContact CG-CB 4.18Å; W9-H17 AromaticContact CZ3-NE2 3.94Å; W9-F35 HydrophobicContact CZ2-CE2 4.11Å; W9-F35 HydrophobicContact CZ2-CZ 4.08Å; W9-H54 AromaticContact CH2-CE1 3.34Å; W9-H54 WeakPolarHBondContact CH2-CE1 3.41Å; W9-H54 AromaticContact CH2-CG 3.86Å; W9-H54 AromaticContact CH2-ND1 3.29Å; W9-H54 VanDerWaalsContact CH2-ND1 3.29Å; W9-H54 WeakPolarHBondContact CH2-ND1 3.4Å; W9-H54 AromaticContact CH2-NE2 3.95Å; W9-H54 AromaticContact CZ2-CD2 3.84Å; W9-H54 AromaticContact CZ2-CE1 3.58Å; W9-H54 AromaticContact CZ2-CG 3.81Å; W9-H54 AromaticContact CZ2-ND1 3.68Å; W9-H54 AromaticContact CZ2-NE2 3.7Å; W9-V64 HydrophobicContact CH2-CG1 4.31Å; W9-V64 HydrophobicContact CH2-CG2 4.33Å; W9-V64 HydrophobicContact CZ3-CG1 4.35Å; W9-G440 PolarHBondContact NE1-O 2.7Å; W9-F742 HydrophobicContact CD2-CB 4.47Å; W9-F742 AromaticContact CD2-CD2 3.51Å; W9-F742 HydrophobicContact CD2-CD2 3.51Å; W9-F742 HydrophobicContact CD2-CE2 4.16Å; W9-F742 HydrophobicContact CD2-CG 4.35Å; W9-F742 AromaticContact CE2-CD2 3.51Å; W9-F742 AromaticContact CE2-CE2 3.7Å; W9-F742 HydrophobicContact CE3-CB 3.96Å; W9-F742 AromaticContact CE3-CD2 3.86Å; W9-F742 HydrophobicContact CE3-CD2 3.86Å; W9-F742 HydrophobicContact CE3-CG 4.25Å; W9-F742 AromaticContact CG-CD2 3.9Å; W9-F742 HydrophobicContact CG-CD2 3.9Å; W9-F742 HydrophobicContact CG-CE2 4.42Å; W9-F742 HydrophobicContact CH2-CD2 4.12Å; W9-F742 HydrophobicContact CH2-CG 4.32Å; W9-F742 AromaticContact CZ2-CD2 3.84Å; W9-F742 HydrophobicContact CZ2-CD2 3.84Å; W9-F742 AromaticContact CZ2-CE2 3.97Å; W9-F742 HydrophobicContact CZ2-CE2 3.97Å; W9-F742 HydrophobicContact CZ2-CG 4.46Å; W9-F742 HydrophobicContact CZ3-CB 4Å; W9-F742 HydrophobicContact CZ3-CD2 4.15Å; W9-F742 HydrophobicContact CZ3-CG 4.24Å; W9-F742 AromaticContact NE1-CD2 3.88Å; W9-F742 AromaticContact NE1-CE2 3.72Å
10	E	81.4	Confident	78.7	Confident	85 Å²	85	59.1 Å²	59.1	40%	0.397	29%	0.294	S	S	.	.			trans	-68.6	131.5	167.9	-178.1	169.9	-143.3	0	0	109.9	R12 K744	E10-R12 PolarHBondContact O-N 2.77Å; E10-R12 VanDerWaalsContact O-N 3.09Å; E10-K744 VanDerWaalsContact CD-CE 3.47Å; E10-K744 VanDerWaalsContact CD-NZ 3.28Å; E10-K744 VanDerWaalsContact OE1-CE 3.25Å; E10-K744 WeakPolarHBondContact OE1-CE 3.35Å; E10-K744 IonicContact OE1-NZ 3.97Å; E10-K744 PolarHBondContact OE1-NZ 2.85Å; E10-K744 WeakPolarHBondContact OE2-CE 3.44Å; E10-K744 IonicContact OE2-NZ 3.74Å
11	K	72.3	Confident	78.8	Confident	199 Å²	199	63.3 Å²	63.3	87%	0.865	32%	0.316	S	S	*	.			trans	-70.5	106	175.1	-66.9	-176.3	179.4	-178.7	0	109.3	W9	W9-K11 PolarHBondContact O-N 3.42Å
12	R	64.6	Low	78.7	Confident	156 Å²	156	64.2 Å²	64.2	59%	0.589	33%	0.325	S	S	*	.			trans	-101.6	133.9	172.6	-66.7	-177.4	179.7	-178.8	0.8	110	E10 K14	E10-R12 PolarHBondContact O-N 2.77Å; E10-R12 VanDerWaalsContact O-N 3.09Å; R12-K14 VanDerWaalsContact C-N 3.27Å; R12-K14 PolarHBondContact O-N 3.24Å
13	P	57.4	Low	78.6	Confident	126 Å²	126	60.3 Å²	60.3	82%	0.818	31%	0.307	S	S	*	.	S	Bend	trans	-71.1	-14.4	-175.2	24.3	-32.1	0	0	0	115.2
14	K	56.5	Low	78.8	Confident	118 Å²	118	59.5 Å²	59.5	51%	0.513	30%	0.304	S	S	.	.	S	Bend	trans	-118.2	-8.9	-173.9	-66.2	-179.9	152.2	-121.9	0	115.4	R12 D42 D43	R12-K14 VanDerWaalsContact C-N 3.27Å; R12-K14 PolarHBondContact O-N 3.24Å; K14-D42 PolarHBondContact O-N 3.31Å; K14-D43 IonicContact NZ-OD1 3.41Å; K14-D43 PolarHBondContact NZ-OD1 3.33Å; K14-D43 IonicContact NZ-OD2 3.36Å; K14-D43 PolarHBondContact NZ-OD2 3.02Å; K14-D43 VanDerWaalsContact NZ-OD2 3.1Å
15	S	58.3	Low	78.9	Confident	27 Å²	27	60 Å²	60	19%	0.189	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	115.7	-175.8	66.9	0	0	0	0	108.5	K40	S15-K40 WeakPolarHBondContact CA-O 3.19Å
16	T	71	Confident	79.1	Confident	68 Å²	68	60.3 Å²	60.3	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.3	-174.6	-52.6	0	0	0	0	110.3	C18 K40	T16-C18 PolarHBondContact O-N 2.92Å; T16-K40 PolarHBondContact N-O 3.43Å; T16-K40 PolarHBondContact O-N 3.17Å
17	H	71.7	Confident	79.3	Confident	46 Å²	46	59.4 Å²	59.4	21%	0.213	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	120.8	165.5	-73.4	-81.4	0	0	0	109	W9 T37 H54	W9-H17 HydrophobicContact CD2-CB 4.26Å; W9-H17 AromaticContact CD2-CD2 3.91Å; W9-H17 AromaticContact CE3-CD2 3.68Å; W9-H17 AromaticContact CE3-NE2 3.92Å; W9-H17 HydrophobicContact CG-CB 4.18Å; W9-H17 AromaticContact CZ3-NE2 3.94Å; H17-T37 PolarHBondContact ND1-OG1 3.29Å; H17-H54 AromaticContact CE1-CE1 3.84Å
18	C	74.1	Confident	79.4	Confident	36 Å²	36	59.4 Å²	59.4	24%	0.243	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.6	174.2	-62	0	0	0	0	108.4	T16 S20 T37 D38	T16-C18 PolarHBondContact O-N 2.92Å; C18-S20 PolarHBondContact O-N 3.18Å; C18-T37 CarbonylContact O-C 3.51Å; C18-T37 WeakPolarHBondContact O-CA 3.37Å; C18-T37 VanDerWaalsContact O-CB 3.31Å; C18-T37 WeakPolarHBondContact O-CB 3.45Å; C18-D38 PolarHBondContact N-O 2.97Å; C18-D38 PolarHBondContact O-N 3.3Å
19	P	70.8	Confident	79.6	Confident	32 Å²	32	57.9 Å²	57.9	21%	0.208	30%	0.296	C	S	.	.			trans	-61.4	137.8	172.8	31.5	-39.7	0	0	0	110.5	L23 G438	P19-L23 HydrophobicContact CB-CD1 4.36Å; P19-G438 VanDerWaalsContact CG-O 3.28Å; P19-G438 WeakPolarHBondContact CG-O 3.47Å
20	S	73.3	Confident	79.9	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.021	30%	0.301	C	S	.	.			trans	-65	152.9	168.2	-54.6	0	0	0	0	110.6	C18 P22 L23 T37 D38	C18-S20 PolarHBondContact O-N 3.18Å; S20-P22 VanDerWaalsContact C-C 3.43Å; S20-P22 CarbonylContact C-O 3.59Å; S20-P22 VanDerWaalsContact C-O 3.26Å; S20-P22 VanDerWaalsContact CB-O 3.24Å; S20-P22 WeakPolarHBondContact CB-O 3.2Å; S20-P22 CarbonylContact O-C 3.59Å; S20-L23 WeakPolarHBondContact O-CA 3.34Å; S20-L23 WeakPolarHBondContact O-CB 3.03Å; S20-L23 PolarHBondContact O-N 3.21Å; S20-L23 VanDerWaalsContact O-N 3.08Å; S20-T37 WeakPolarHBondContact OG-CA 3.49Å; S20-D38 WeakPolarHBondContact CA-OD2 3.31Å; S20-D38 WeakPolarHBondContact CB-OD1 3.48Å; S20-D38 PolarHBondContact OG-N 2.88Å; S20-D38 PolarHBondContact OG-OD1 2.95Å
21	I	79.1	Confident	80.5	Confident	147 Å²	147	55.1 Å²	55.1	75%	0.754	28%	0.283	S	S	*	.	S	Bend	trans	-127.6	100.3	173.9	-55.6	177.2	0	0	0	108.4
22	P	84.4	Confident	81.7	Confident	67 Å²	67	45.7 Å²	45.7	44%	0.435	24%	0.242	S	C	.	.	S	Bend	cis	-73	154	6.2	31.8	-36.7	0	0	0	113.8	S20	S20-P22 VanDerWaalsContact C-C 3.43Å; S20-P22 CarbonylContact C-O 3.59Å; S20-P22 VanDerWaalsContact C-O 3.26Å; S20-P22 VanDerWaalsContact CB-O 3.24Å; S20-P22 WeakPolarHBondContact CB-O 3.2Å; S20-P22 CarbonylContact O-C 3.59Å
23	L	89.9	Confident	83.3	Confident	17 Å²	17	38.3 Å²	38.3	9%	0.089	21%	0.214	C	C	.	.			trans	-93.6	125.5	168.7	-175.9	70.8	0	0	0	108.2	P19 S20 T36 K422 A423 V436	P19-L23 HydrophobicContact CB-CD1 4.36Å; S20-L23 WeakPolarHBondContact O-CA 3.34Å; S20-L23 WeakPolarHBondContact O-CB 3.03Å; S20-L23 PolarHBondContact O-N 3.21Å; S20-L23 VanDerWaalsContact O-N 3.08Å; L23-T36 WeakPolarHBondContact CD1-O 3.42Å; L23-K422 HydrophobicContact CB-CB 3.95Å; L23-K422 HydrophobicContact CD2-CB 3.55Å; L23-K422 HydrophobicContact CG-CB 4.39Å; L23-A423 HydrophobicContact CD2-CB 4.14Å; L23-A423 HydrophobicContact CG-CB 4.17Å; L23-V436 HydrophobicContact CD1-CG1 4.48Å; L23-V436 HydrophobicContact CD2-CB 3.66Å; L23-V436 HydrophobicContact CD2-CG1 3.61Å
24	V	94.6	Very high	85.2	Confident	25 Å²	25	32.3 Å²	32.3	15%	0.152	18%	0.175	C	C	.	.			trans	-122.1	146.3	179.6	-67.7	0	0	0	0	111.3	F35 T36 I75 S76 L78	V24-F35 VanDerWaalsContact O-CA 3.29Å; V24-F35 WeakPolarHBondContact O-CA 3.45Å; V24-T36 HydrophobicContact CG2-CG2 3.65Å; V24-T36 PolarHBondContact N-OG1 3.31Å; V24-T36 PolarHBondContact O-N 2.83Å; V24-T36 VanDerWaalsContact O-N 3.17Å; V24-I75 HydrophobicContact CG2-CG2 4.09Å; V24-S76 WeakPolarHBondContact CG1-O 3.04Å; V24-L78 HydrophobicContact CG2-CB 4.27Å; V24-L78 HydrophobicContact CG2-CD1 4.03Å; V24-L78 HydrophobicContact CG2-CG 3.77Å
25	S	96.8	Very high	87.1	Confident	10 Å²	10	26.7 Å²	26.7	7%	0.07	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.4	175.1	70	0	0	0	0	111.5	A34 A423 Q425	S25-A34 CarbonylContact C-O 3.54Å; S25-A34 WeakPolarHBondContact CA-O 3.32Å; S25-A34 VanDerWaalsContact CB-O 3.31Å; S25-A34 WeakPolarHBondContact CB-O 3.32Å; S25-A423 WeakPolarHBondContact OG-CB 3.27Å; S25-Q425 WeakPolarHBondContact O-CG 3.32Å; S25-Q425 PolarHBondContact O-NE2 3.5Å; S25-Q425 WeakPolarHBondContact OG-CG 3.24Å
26	S	97.1	Very high	88.9	Confident	7 Å²	7	25.4 Å²	25.4	5%	0.049	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148.6	178.6	-162.1	0	0	0	0	111.1	A34 L78 W80	S26-A34 PolarHBondContact N-O 3.04Å; S26-A34 PolarHBondContact O-N 3.27Å; S26-L78 WeakPolarHBondContact CB-O 3.45Å; S26-W80 PolarHBondContact O-NE1 3.37Å; S26-W80 VanDerWaalsContact O-NE1 3.08Å; S26-W80 VanDerWaalsContact OG-CD1 3.26Å
27	W	97.7	Very high	89.9	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.3	-176.8	-170.6	-17.9	0	0	0	110.7	N31 L32 V33 T58 W80 K349 Q425 W428 A432 A434 M444	W27-N31 PolarHBondContact NE1-OD1 3.1Å; W27-N31 VanDerWaalsContact NE1-OD1 3.1Å; W27-L32 WeakPolarHBondContact CA-O 3.22Å; W27-V33 HydrophobicContact CB-CG2 4.36Å; W27-V33 HydrophobicContact CD2-CG2 3.67Å; W27-V33 HydrophobicContact CE3-CG2 4.08Å; W27-V33 HydrophobicContact CG-CG2 3.81Å; W27-V33 HydrophobicContact CZ2-CG2 4.46Å; W27-T58 HydrophobicContact CH2-CG2 4.42Å; W27-T58 HydrophobicContact CZ2-CG2 3.79Å; W27-W80 VanDerWaalsContact C-CD1 3.49Å; W27-K349 PolarHBondContact O-NZ 3.14Å; W27-Q425 HydrophobicContact CB-CB 4.18Å; W27-W428 PolarHBondContact O-NE1 3.05Å; W27-A432 HydrophobicContact CH2-CB 3.65Å; W27-A432 HydrophobicContact CZ3-CB 4.25Å; W27-A434 HydrophobicContact CE3-CB 3.66Å; W27-A434 HydrophobicContact CZ3-CB 3.57Å; W27-M444 HydrophobicContact CH2-CE 3.6Å; W27-M444 HydrophobicContact CH2-SD 3.55Å; W27-M444 VanDerWaalsContact CH2-SD 3.55Å; W27-M444 HydrophobicContact CZ2-CE 4.29Å; W27-M444 HydrophobicContact CZ3-CE 3.99Å; W27-M444 HydrophobicContact CZ3-SD 3.96Å
28	S	97.1	Very high	90.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.			trans	-80.3	163	-178.2	72.8	0	0	0	0	114.4	R30 N31 L32 W80 W428	S28-R30 PolarHBondContact O-N 3.45Å; S28-R30 PolarHBondContact OG-N 3.2Å; S28-N31 PolarHBondContact O-N 3.38Å; S28-L32 PolarHBondContact N-O 2.82Å; S28-L32 WeakPolarHBondContact OG-CB 3.48Å; S28-L32 PolarHBondContact OG-N 2.81Å; S28-L32 PolarHBondContact OG-O 3.4Å; S28-W80 VanDerWaalsContact N-CD1 3.32Å; S28-W428 VanDerWaalsContact C-CD1 3.43Å; S28-W428 PolarHBondContact O-NE1 3.47Å
29	C	94.8	Very high	91.4	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.061	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.2	175.9	60.6	0	0	0	0	113.9	Q82 W428 Y476 D477	C29-Q82 PolarHBondContact SG-O 2.68Å; C29-W428 HydrophobicContact CB-CD2 3.82Å; C29-W428 HydrophobicContact CB-CE3 4.23Å; C29-W428 HydrophobicContact CB-CG 4.21Å; C29-W428 HydrophobicContact CB-CH2 4.33Å; C29-W428 HydrophobicContact CB-CZ2 3.95Å; C29-W428 HydrophobicContact CB-CZ3 4.47Å; C29-W428 VanDerWaalsContact N-NE1 3.11Å; C29-Y476 HydrophobicContact CB-CD1 3.59Å; C29-Y476 HydrophobicContact CB-CE1 3.73Å; C29-Y476 HydrophobicContact CB-CG 4.08Å; C29-D477 PolarHBondContact O-N 3.41Å
30	R	95	Very high	91.9	Very high	61 Å²	61	23.9 Å²	23.9	23%	0.23	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	16.1	175.9	-57.9	-172.7	177.5	-173.8	7.9	113.1	S28 L32 S83 L822	S28-R30 PolarHBondContact O-N 3.45Å; S28-R30 PolarHBondContact OG-N 3.2Å; R30-L32 VanDerWaalsContact C-N 3.28Å; R30-L32 PolarHBondContact O-N 3.27Å; R30-S83 VanDerWaalsContact CZ-O 3.31Å; R30-S83 PolarHBondContact NE-O 3.38Å; R30-S83 PolarHBondContact NH2-O 2.96Å; R30-L822 HydrophobicContact CB-CD1 4.07Å
31	N	94.3	Very high	92	Very high	2 Å²	2	27 Å²	27	1%	0.011	14%	0.14	C	C	.	.	S	Bend	trans	58.8	34.8	-177.6	-72.4	-30.7	0	0	0	115.6	W27 S28 T58 D477 W479	W27-N31 PolarHBondContact NE1-OD1 3.1Å; W27-N31 VanDerWaalsContact NE1-OD1 3.1Å; S28-N31 PolarHBondContact O-N 3.38Å; N31-T58 PolarHBondContact O-N 3.43Å; N31-T58 PolarHBondContact O-OG1 3.21Å; N31-D477 HydrophobicContact CB-CB 4.11Å; N31-D477 WeakPolarHBondContact ND2-CB 3.46Å; N31-D477 PolarHBondContact ND2-O 3.28Å; N31-D477 PolarHBondContact ND2-OD1 2.76Å; N31-W479 HydrophobicContact CB-CB 4.44Å; N31-W479 VanDerWaalsContact ND2-CB 3.28Å; N31-W479 WeakPolarHBondContact ND2-CB 3.2Å; N31-W479 PolarHBondContact ND2-N 2.66Å
32	L	97.1	Very high	91.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.4	165.6	-53.1	177.7	0	0	0	110.9	W27 S28 R30 I55 I56 D57 W80 M101 V106 W109 L822	W27-L32 WeakPolarHBondContact CA-O 3.22Å; S28-L32 PolarHBondContact N-O 2.82Å; S28-L32 WeakPolarHBondContact OG-CB 3.48Å; S28-L32 PolarHBondContact OG-N 2.81Å; S28-L32 PolarHBondContact OG-O 3.4Å; R30-L32 VanDerWaalsContact C-N 3.28Å; R30-L32 PolarHBondContact O-N 3.27Å; L32-I55 HydrophobicContact CB-CG2 4.39Å; L32-I56 CarbonylContact C-O 3.53Å; L32-I56 VanDerWaalsContact CA-O 3.23Å; L32-I56 WeakPolarHBondContact CA-O 3.49Å; L32-D57 HydrophobicContact CD2-CB 3.88Å; L32-W80 HydrophobicContact CB-CH2 4.26Å; L32-W80 HydrophobicContact CB-CZ2 4.02Å; L32-W80 HydrophobicContact CD1-CH2 4.37Å; L32-M101 HydrophobicContact CD1-CE 3.21Å; L32-V106 HydrophobicContact CD1-CG1 4.42Å; L32-V106 HydrophobicContact CD2-CB 4.45Å; L32-V106 HydrophobicContact CD2-CG1 4.37Å; L32-W109 HydrophobicContact CD1-CZ2 4.16Å; L32-L822 HydrophobicContact CD1-CD1 4.14Å; L32-L822 HydrophobicContact CD2-CD1 4.02Å; L32-L822 HydrophobicContact CG-CD1 4.15Å
33	V	97.9	Very high	90.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.8	173.9	-179.2	0	0	0	0	108.8	W27 I55 I56 T58 A434 L442	W27-V33 HydrophobicContact CB-CG2 4.36Å; W27-V33 HydrophobicContact CD2-CG2 3.67Å; W27-V33 HydrophobicContact CE3-CG2 4.08Å; W27-V33 HydrophobicContact CG-CG2 3.81Å; W27-V33 HydrophobicContact CZ2-CG2 4.46Å; V33-I55 WeakPolarHBondContact O-CA 3.38Å; V33-I56 HydrophobicContact CB-CD1 4.23Å; V33-I56 HydrophobicContact CB-CG1 3.79Å; V33-I56 PolarHBondContact N-O 3.09Å; V33-I56 PolarHBondContact O-N 3.41Å; V33-T58 HydrophobicContact CG2-CG2 3.94Å; V33-A434 HydrophobicContact CG1-CB 4.4Å; V33-A434 HydrophobicContact CG2-CB 4.42Å; V33-L442 HydrophobicContact CG1-CD1 4.48Å
34	A	97.8	Very high	88.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.9	172	0	0	0	0	0	110.5	S25 S26 H54 I55 L78 W80 L87	S25-A34 CarbonylContact C-O 3.54Å; S25-A34 WeakPolarHBondContact CA-O 3.32Å; S25-A34 VanDerWaalsContact CB-O 3.31Å; S25-A34 WeakPolarHBondContact CB-O 3.32Å; S26-A34 PolarHBondContact N-O 3.04Å; S26-A34 PolarHBondContact O-N 3.27Å; A34-H54 CarbonylContact C-O 3.54Å; A34-H54 WeakPolarHBondContact CA-O 3.34Å; A34-I55 HydrophobicContact CB-CG1 4.26Å; A34-L78 HydrophobicContact CB-CD1 4.29Å; A34-W80 HydrophobicContact CB-CZ2 3.72Å; A34-L87 HydrophobicContact CB-CD1 4.25Å; A34-L87 HydrophobicContact CB-CD2 3.82Å
35	F	97.1	Very high	87	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	163	173.5	65.4	-82.9	0	0	0	111.7	W9 V24 T37 H54 I56 V436 F742	W9-F35 HydrophobicContact CZ2-CE2 4.11Å; W9-F35 HydrophobicContact CZ2-CZ 4.08Å; V24-F35 VanDerWaalsContact O-CA 3.29Å; V24-F35 WeakPolarHBondContact O-CA 3.45Å; F35-T37 HydrophobicContact CD2-CG2 4.33Å; F35-T37 HydrophobicContact CE2-CG2 4.11Å; F35-H54 HydrophobicContact CD1-CB 4.04Å; F35-H54 HydrophobicContact CD2-CB 4.28Å; F35-H54 AromaticContact CD2-CD2 3.94Å; F35-H54 HydrophobicContact CE1-CB 3.65Å; F35-H54 HydrophobicContact CE2-CB 3.91Å; F35-H54 AromaticContact CE2-CD2 3.6Å; F35-H54 AromaticContact CE2-CG 3.96Å; F35-H54 HydrophobicContact CG-CB 4.34Å; F35-H54 HydrophobicContact CZ-CB 3.58Å; F35-H54 AromaticContact CZ-CG 3.99Å; F35-H54 PolarHBondContact N-O 3.31Å; F35-H54 PolarHBondContact O-N 3.25Å; F35-I56 HydrophobicContact CE1-CG2 4.38Å; F35-V436 HydrophobicContact CB-CG2 4Å; F35-V436 HydrophobicContact CD2-CG1 4.27Å; F35-V436 HydrophobicContact CD2-CG2 4.36Å; F35-V436 HydrophobicContact CG-CG2 4.12Å; F35-F742 HydrophobicContact CE1-CZ 4.39Å; F35-F742 HydrophobicContact CZ-CE2 4.26Å; F35-F742 AromaticContact CZ-CZ 3.83Å; F35-F742 HydrophobicContact CZ-CZ 3.83Å
36	T	95.5	Very high	85	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	151	-177.5	56.8	0	0	0	0	113.2	L23 V24 M52 I53 I75 L78	L23-T36 WeakPolarHBondContact CD1-O 3.42Å; V24-T36 HydrophobicContact CG2-CG2 3.65Å; V24-T36 PolarHBondContact N-OG1 3.31Å; V24-T36 PolarHBondContact O-N 2.83Å; V24-T36 VanDerWaalsContact O-N 3.17Å; T36-M52 VanDerWaalsContact CA-O 3.25Å; T36-M52 WeakPolarHBondContact CA-O 3.37Å; T36-I53 HydrophobicContact CG2-CG1 4.49Å; T36-I75 HydrophobicContact CG2-CB 3.91Å; T36-I75 HydrophobicContact CG2-CD1 3.85Å; T36-I75 HydrophobicContact CG2-CG1 4.49Å; T36-I75 HydrophobicContact CG2-CG2 3.85Å; T36-L78 HydrophobicContact CG2-CD1 3.66Å; T36-L78 HydrophobicContact CG2-CG 4.14Å
37	T	92.3	Very high	83.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.5	161.2	71.4	0	0	0	0	109.5	H17 C18 S20 F35 M52 H54	H17-T37 PolarHBondContact ND1-OG1 3.29Å; C18-T37 CarbonylContact O-C 3.51Å; C18-T37 WeakPolarHBondContact O-CA 3.37Å; C18-T37 VanDerWaalsContact O-CB 3.31Å; C18-T37 WeakPolarHBondContact O-CB 3.45Å; S20-T37 WeakPolarHBondContact OG-CA 3.49Å; F35-T37 HydrophobicContact CD2-CG2 4.33Å; F35-T37 HydrophobicContact CE2-CG2 4.11Å; T37-M52 PolarHBondContact N-O 2.76Å; T37-M52 VanDerWaalsContact N-O 3.14Å; T37-M52 WeakPolarHBondContact O-CA 3.32Å; T37-M52 WeakPolarHBondContact O-CB 3.35Å; T37-M52 PolarHBondContact O-N 3.38Å; T37-H54 PolarHBondContact OG1-NE2 3.24Å
38	D	89.7	Confident	82.3	Confident	20 Å²	20	57.9 Å²	57.9	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.4	169.9	-64.6	-13.4	0	0	0	108.7	C18 S20 V49 H51	C18-D38 PolarHBondContact N-O 2.97Å; C18-D38 PolarHBondContact O-N 3.3Å; S20-D38 WeakPolarHBondContact CA-OD2 3.31Å; S20-D38 WeakPolarHBondContact CB-OD1 3.48Å; S20-D38 PolarHBondContact OG-N 2.88Å; S20-D38 PolarHBondContact OG-OD1 2.95Å; D38-V49 HydrophobicContact CB-CG1 3.8Å; D38-H51 IonicContact OD1-CE1 3.41Å; D38-H51 IonicContact OD1-CG 2.64Å; D38-H51 IonicContact OD1-ND1 2.75Å; D38-H51 PolarHBondContact OD1-ND1 3.31Å
39	L	86.5	Confident	81.7	Confident	27 Å²	27	60.2 Å²	60.2	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.4	176	-179.3	64.7	0	0	0	109.3	S50 M52	L39-S50 PolarHBondContact N-O 3.45Å; L39-S50 PolarHBondContact O-N 3.04Å; L39-M52 HydrophobicContact CB-CG 3.82Å; L39-M52 HydrophobicContact CB-SD 4.42Å; L39-M52 HydrophobicContact CD2-SD 4.43Å
40	K	82.9	Confident	81.5	Confident	103 Å²	103	60.8 Å²	60.8	45%	0.448	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.9	173.7	-64.3	-178.9	179	176.9	0	109.7	S15 T16 V49	S15-K40 WeakPolarHBondContact CA-O 3.19Å; T16-K40 PolarHBondContact N-O 3.43Å; T16-K40 PolarHBondContact O-N 3.17Å; K40-V49 HydrophobicContact CG-CG2 4.27Å
41	N	75.4	Confident	81.4	Confident	70 Å²	70	58.4 Å²	58.4	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.6	172.9	-70.2	-18.3	0	0	0	109.2
42	D	67.6	Low	81.4	Confident	114 Å²	114	59.1 Å²	59.1	61%	0.61	31%	0.307	S	S	*	.	S	Bend	trans	-91.5	-3.3	-177.3	-65.7	-33.1	0	0	0	113.1	K14	K14-D42 PolarHBondContact O-N 3.31Å
43	D	64.5	Low	81.4	Confident	113 Å²	113	59.1 Å²	59.1	60%	0.604	31%	0.307	S	S	*	.	S	Bend	trans	-90.2	-8.6	-173.7	-76.6	-29.5	0	0	0	114.3	K14	K14-D43 IonicContact NZ-OD1 3.41Å; K14-D43 PolarHBondContact NZ-OD1 3.33Å; K14-D43 IonicContact NZ-OD2 3.36Å; K14-D43 PolarHBondContact NZ-OD2 3.02Å; K14-D43 VanDerWaalsContact NZ-OD2 3.1Å
44	D	55.2	Low	81.3	Confident	104 Å²	104	59.1 Å²	59.1	56%	0.556	31%	0.307	S	S	*	.	S	Bend	trans	-107.3	133.9	178.3	-93.5	-30.6	0	0	0	112	T46	D44-T46 WeakPolarHBondContact CB-O 3.12Å; D44-T46 CarbonylContact O-C 3.52Å; D44-T46 PolarHBondContact O-N 3.09Å
45	D	54.6	Low	81.2	Confident	185 Å²	185	59.2 Å²	59.2	99%	0.989	31%	0.308	S	S	*	.	S	Bend	trans	-60.6	-14.1	172.6	-84.5	-31.9	0	0	0	112.6
46	T	56	Low	81.2	Confident	94 Å²	94	59.3 Å²	59.3	58%	0.577	31%	0.308	S	S	*	.	S	Bend	trans	-96.8	117.7	166.1	50.4	0	0	0	0	109.8	D44 D48	D44-T46 WeakPolarHBondContact CB-O 3.12Å; D44-T46 CarbonylContact O-C 3.52Å; D44-T46 PolarHBondContact O-N 3.09Å; T46-D48 PolarHBondContact O-N 3.37Å
47	K	60.7	Low	81.1	Confident	206 Å²	206	60.1 Å²	60.1	90%	0.896	31%	0.313	S	S	*	.			trans	-66.3	72	172.3	-69	179.7	179.4	174.3	0	111.3
48	D	75.9	Confident	81.2	Confident	106 Å²	106	60.1 Å²	60.1	57%	0.567	31%	0.313	S	S	*	.			trans	-83.4	121.7	177.7	-156.7	5.1	0	0	0	109.5	T46	T46-D48 PolarHBondContact O-N 3.37Å
49	V	85.3	Confident	81.3	Confident	50 Å²	50	59.6 Å²	59.6	30%	0.303	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	180	-179.8	0	0	0	0	107.4	D38 K40	D38-V49 HydrophobicContact CB-CG1 3.8Å; K40-V49 HydrophobicContact CG-CG2 4.27Å
50	S	90.1	Very high	81.5	Confident	20 Å²	20	58.4 Å²	58.4	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122	176	-71.3	0	0	0	0	110.7	L39 M52 N68	L39-S50 PolarHBondContact N-O 3.45Å; L39-S50 PolarHBondContact O-N 3.04Å; S50-M52 PolarHBondContact O-N 3.3Å; S50-N68 PolarHBondContact OG-ND2 3.41Å
51	H	93.3	Very high	81.9	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.056	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.4	174.1	-60.1	-60.4	0	0	0	110.4	D38 S69 E73 V74 I75	D38-H51 IonicContact OD1-CE1 3.41Å; D38-H51 IonicContact OD1-CG 2.64Å; D38-H51 IonicContact OD1-ND1 2.75Å; D38-H51 PolarHBondContact OD1-ND1 3.31Å; H51-S69 VanDerWaalsContact O-CB 3.23Å; H51-S69 WeakPolarHBondContact O-CB 3.35Å; H51-S69 PolarHBondContact O-N 3.41Å; H51-S69 PolarHBondContact O-OG 3.18Å; H51-E73 PolarHBondContact CD2-O 3.05Å; H51-E73 VanDerWaalsContact NE2-C 3.25Å; H51-V74 PolarHBondContact NE2-N 3.09Å; H51-I75 HydrophobicContact CB-CD1 4.21Å; H51-I75 HydrophobicContact CB-CG1 4.19Å
52	M	94.3	Very high	82.5	Confident	17 Å²	17	50.9 Å²	50.9	8%	0.084	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.5	-172.7	-56.7	-60.3	-67.8	0	0	111.6	T36 T37 L39 S50 I67 N68	T36-M52 VanDerWaalsContact CA-O 3.25Å; T36-M52 WeakPolarHBondContact CA-O 3.37Å; T37-M52 PolarHBondContact N-O 2.76Å; T37-M52 VanDerWaalsContact N-O 3.14Å; T37-M52 WeakPolarHBondContact O-CA 3.32Å; T37-M52 WeakPolarHBondContact O-CB 3.35Å; T37-M52 PolarHBondContact O-N 3.38Å; L39-M52 HydrophobicContact CB-CG 3.82Å; L39-M52 HydrophobicContact CB-SD 4.42Å; L39-M52 HydrophobicContact CD2-SD 4.43Å; S50-M52 PolarHBondContact O-N 3.3Å; M52-I67 VanDerWaalsContact CA-O 3.31Å; M52-I67 WeakPolarHBondContact CA-O 3.33Å; M52-I67 VanDerWaalsContact CE-C 3.5Å; M52-I67 WeakPolarHBondContact CE-O 3.42Å; M52-N68 HydrophobicContact CE-CB 4.31Å; M52-N68 HydrophobicContact SD-CB 3.97Å
53	I	96.4	Very high	83.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	166	-59.6	168.7	0	0	0	107.8	T36 I55 I67 I75 L78 L87 W99	T36-I53 HydrophobicContact CG2-CG1 4.49Å; I53-I55 HydrophobicContact CG2-CG1 4.25Å; I53-I67 HydrophobicContact CB-CB 4.35Å; I53-I67 PolarHBondContact N-O 3Å; I53-I67 PolarHBondContact O-N 3.42Å; I53-I75 HydrophobicContact CD1-CD1 3.99Å; I53-I75 HydrophobicContact CG1-CD1 3.53Å; I53-L78 HydrophobicContact CD1-CD2 4.22Å; I53-L78 HydrophobicContact CG1-CD2 4.43Å; I53-L87 HydrophobicContact CG2-CD2 3.92Å; I53-W99 HydrophobicContact CD1-CZ2 4.07Å
54	H	96.2	Very high	84.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.8	176.7	-54.5	-68.1	0	0	0	109.5	W9 H17 A34 F35 T37 V64 F65 S66	W9-H54 AromaticContact CH2-CE1 3.34Å; W9-H54 WeakPolarHBondContact CH2-CE1 3.41Å; W9-H54 AromaticContact CH2-CG 3.86Å; W9-H54 AromaticContact CH2-ND1 3.29Å; W9-H54 VanDerWaalsContact CH2-ND1 3.29Å; W9-H54 WeakPolarHBondContact CH2-ND1 3.4Å; W9-H54 AromaticContact CH2-NE2 3.95Å; W9-H54 AromaticContact CZ2-CD2 3.84Å; W9-H54 AromaticContact CZ2-CE1 3.58Å; W9-H54 AromaticContact CZ2-CG 3.81Å; W9-H54 AromaticContact CZ2-ND1 3.68Å; W9-H54 AromaticContact CZ2-NE2 3.7Å; H17-H54 AromaticContact CE1-CE1 3.84Å; A34-H54 CarbonylContact C-O 3.54Å; A34-H54 WeakPolarHBondContact CA-O 3.34Å; F35-H54 HydrophobicContact CD1-CB 4.04Å; F35-H54 HydrophobicContact CD2-CB 4.28Å; F35-H54 AromaticContact CD2-CD2 3.94Å; F35-H54 HydrophobicContact CE1-CB 3.65Å; F35-H54 HydrophobicContact CE2-CB 3.91Å; F35-H54 AromaticContact CE2-CD2 3.6Å; F35-H54 AromaticContact CE2-CG 3.96Å; F35-H54 HydrophobicContact CG-CB 4.34Å; F35-H54 HydrophobicContact CZ-CB 3.58Å; F35-H54 AromaticContact CZ-CG 3.99Å; F35-H54 PolarHBondContact N-O 3.31Å; F35-H54 PolarHBondContact O-N 3.25Å; T37-H54 PolarHBondContact OG1-NE2 3.24Å; H54-V64 HydrophobicContact CB-CG2 3.89Å; H54-F65 CarbonylContact C-O 3.45Å; H54-F65 WeakPolarHBondContact CA-O 3.34Å; H54-S66 PolarHBondContact CE1-OG 3.48Å; H54-S66 WeakPolarHBondContact ND1-CB 3.35Å; H54-S66 PolarHBondContact ND1-OG 2.96Å
55	I	96.8	Very high	86.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.3	176.8	-57.6	175.5	0	0	0	107.8	L32 V33 A34 I53 F65 I67 W80 L87 W109	L32-I55 HydrophobicContact CB-CG2 4.39Å; V33-I55 WeakPolarHBondContact O-CA 3.38Å; A34-I55 HydrophobicContact CB-CG1 4.26Å; I53-I55 HydrophobicContact CG2-CG1 4.25Å; I55-F65 PolarHBondContact N-O 3.35Å; I55-F65 PolarHBondContact O-N 2.9Å; I55-I67 HydrophobicContact CD1-CD1 3.98Å; I55-W80 HydrophobicContact CD1-CH2 4.28Å; I55-W80 HydrophobicContact CG2-CH2 4.14Å; I55-W80 HydrophobicContact CG2-CZ2 4.32Å; I55-L87 HydrophobicContact CD1-CD2 4.04Å; I55-L87 HydrophobicContact CG1-CD2 4.4Å; I55-W109 HydrophobicContact CD1-CD2 3.55Å; I55-W109 VanDerWaalsContact CD1-CE2 3.42Å; I55-W109 HydrophobicContact CD1-CE3 4.04Å; I55-W109 HydrophobicContact CD1-CG 3.93Å; I55-W109 HydrophobicContact CD1-CH2 4.37Å; I55-W109 HydrophobicContact CD1-CZ2 3.86Å; I55-W109 HydrophobicContact CD1-CZ3 4.43Å; I55-W109 HydrophobicContact CG2-CZ2 4.08Å
56	I	95.3	Very high	88.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.2	178.9	64.3	143.5	0	0	0	111.3	L32 V33 F35 P61 V64 L442 F742	L32-I56 CarbonylContact C-O 3.53Å; L32-I56 VanDerWaalsContact CA-O 3.23Å; L32-I56 WeakPolarHBondContact CA-O 3.49Å; V33-I56 HydrophobicContact CB-CD1 4.23Å; V33-I56 HydrophobicContact CB-CG1 3.79Å; V33-I56 PolarHBondContact N-O 3.09Å; V33-I56 PolarHBondContact O-N 3.41Å; F35-I56 HydrophobicContact CE1-CG2 4.38Å; I56-P61 HydrophobicContact CD1-CB 4.41Å; I56-V64 HydrophobicContact CG2-CB 3.68Å; I56-V64 HydrophobicContact CG2-CG2 3.55Å; I56-L442 HydrophobicContact CD1-CD2 3.14Å; I56-L442 HydrophobicContact CG1-CD2 4.18Å; I56-F742 HydrophobicContact CG2-CE1 4.15Å
57	D	94.4	Very high	90.3	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.091	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.8	160.1	-172.4	-37.3	0	0	0	108.3	L32 E59 H60 T789	L32-D57 HydrophobicContact CD2-CB 3.88Å; D57-E59 PolarHBondContact O-N 3.1Å; D57-E59 VanDerWaalsContact OD1-CB 3.3Å; D57-E59 WeakPolarHBondContact OD1-CB 3.4Å; D57-E59 PolarHBondContact OD1-N 3.43Å; D57-H60 CarbonylContact O-C 3.4Å; D57-H60 PolarHBondContact O-N 3.23Å; D57-H60 VanDerWaalsContact O-N 3.12Å; D57-T789 WeakPolarHBondContact OD2-CB 3.45Å; D57-T789 VanDerWaalsContact OD2-CG2 3.25Å; D57-T789 WeakPolarHBondContact OD2-CG2 3.3Å; D57-T789 PolarHBondContact OD2-OG1 2.89Å
58	T	94.3	Very high	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.3	-179.8	53.1	0	0	0	0	114	Y5 W27 N31 V33 M444 W479	Y5-T58 PolarHBondContact OH-O 2.98Å; W27-T58 HydrophobicContact CH2-CG2 4.42Å; W27-T58 HydrophobicContact CZ2-CG2 3.79Å; N31-T58 PolarHBondContact O-N 3.43Å; N31-T58 PolarHBondContact O-OG1 3.21Å; V33-T58 HydrophobicContact CG2-CG2 3.94Å; T58-M444 HydrophobicContact CG2-CE 3.79Å; T58-W479 HydrophobicContact CG2-CE3 4.43Å; T58-W479 HydrophobicContact CG2-CH2 4.49Å; T58-W479 HydrophobicContact CG2-CZ3 4.18Å; T58-W479 VanDerWaalsContact O-CZ2 3.23Å; T58-W479 WeakPolarHBondContact O-CZ2 3.19Å; T58-W479 VanDerWaalsContact OG1-CD2 3.31Å
59	E	91.3	Very high	92.7	Very high	10 Å²	10	20 Å²	20	5%	0.047	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.8	176	-174.6	64.3	169.2	0	0	112.6	D57 P61 W479 N725 G727 I728 I729 T789	D57-E59 PolarHBondContact O-N 3.1Å; D57-E59 VanDerWaalsContact OD1-CB 3.3Å; D57-E59 WeakPolarHBondContact OD1-CB 3.4Å; D57-E59 PolarHBondContact OD1-N 3.43Å; E59-P61 VanDerWaalsContact C-CD 3.48Å; E59-W479 VanDerWaalsContact OE2-CD1 3.28Å; E59-W479 PolarHBondContact OE2-NE1 3.4Å; E59-N725 PolarHBondContact OE1-ND2 3Å; E59-G727 WeakPolarHBondContact OE1-CA 3.26Å; E59-I728 WeakPolarHBondContact O-CG2 3.33Å; E59-I728 PolarHBondContact O-N 2.98Å; E59-I729 VanDerWaalsContact OE1-CG2 3.27Å; E59-I729 WeakPolarHBondContact OE1-CG2 3.5Å; E59-I729 VanDerWaalsContact OE2-CB 3.27Å; E59-I729 WeakPolarHBondContact OE2-CB 3.32Å; E59-I729 PolarHBondContact OE2-N 3.35Å; E59-T789 VanDerWaalsContact CG-O 3.27Å; E59-T789 WeakPolarHBondContact CG-O 2.81Å
60	H	90.4	Very high	93	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.112	C	C	.	.	S	Bend	trans	-128.7	61.6	179.2	-66.3	92.3	0	0	0	111.5	D57 W62 D63 D726 T789	D57-H60 CarbonylContact O-C 3.4Å; D57-H60 PolarHBondContact O-N 3.23Å; D57-H60 VanDerWaalsContact O-N 3.12Å; H60-W62 AromaticContact CD2-CZ2 3.58Å; H60-W62 PolarHBondContact O-N 3.02Å; H60-D63 HydrophobicContact CB-CB 4.17Å; H60-D63 PolarHBondContact O-N 2.93Å; H60-D726 IonicContact CD2-OD1 3.96Å; H60-D726 IonicContact CE1-OD1 2.7Å; H60-D726 IonicContact NE2-OD1 3.66Å; H60-D726 PolarHBondContact NE2-OD1 2.87Å; H60-D726 IonicContact NE2-OD2 3.86Å; H60-T789 PolarHBondContact CE1-O 2.58Å
61	P	91.5	Very high	93.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.2	-170.5	27.7	-38	0	0	0	114.7	Y5 C7 I56 E59 I728 L740 F742	Y5-P61 HydrophobicContact CD2-CB 4.47Å; Y5-P61 HydrophobicContact CD2-CG 4.45Å; Y5-P61 HydrophobicContact CE1-CG 4.38Å; Y5-P61 HydrophobicContact CE2-CB 3.69Å; Y5-P61 HydrophobicContact CE2-CG 3.98Å; C7-P61 PolarHBondContact SG-O 2.72Å; I56-P61 HydrophobicContact CD1-CB 4.41Å; E59-P61 VanDerWaalsContact C-CD 3.48Å; P61-I728 HydrophobicContact CG-CD1 3.97Å; P61-L740 HydrophobicContact CB-CD1 4.32Å; P61-L740 HydrophobicContact CG-CD1 3.43Å; P61-L740 VanDerWaalsContact CG-CD1 3.43Å; P61-F742 WeakPolarHBondContact O-CD1 3.39Å; P61-F742 WeakPolarHBondContact O-CE1 3.15Å
62	W	89.3	Confident	93	Very high	15 Å²	15	21.3 Å²	21.3	6%	0.057	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.1	172.6	52.6	80.9	0	0	0	113.1	H60 V64 I728 L740 Q741 G743 K744	H60-W62 AromaticContact CD2-CZ2 3.58Å; H60-W62 PolarHBondContact O-N 3.02Å; W62-V64 PolarHBondContact O-N 2.8Å; W62-I728 HydrophobicContact CH2-CB 4.28Å; W62-I728 HydrophobicContact CZ3-CB 4.06Å; W62-I728 HydrophobicContact CZ3-CD1 4.2Å; W62-I728 HydrophobicContact CZ3-CG1 4.19Å; W62-L740 HydrophobicContact CE3-CD1 4.45Å; W62-Q741 WeakPolarHBondContact CB-O 3.41Å; W62-G743 WeakPolarHBondContact O-CA 3.26Å; W62-G743 PolarHBondContact O-N 2.78Å; W62-K744 VanDerWaalsContact CB-O 3.28Å; W62-K744 WeakPolarHBondContact CB-O 3.23Å
63	D	88.6	Confident	92.9	Very high	44 Å²	44	25.2 Å²	25.2	24%	0.235	14%	0.144	C	C	.	.	S	Bend	trans	-84.9	57.8	-178.4	-161.4	4.7	0	0	0	110	H60 R824	H60-D63 HydrophobicContact CB-CB 4.17Å; H60-D63 PolarHBondContact O-N 2.93Å; D63-R824 WeakPolarHBondContact OD2-CD 3.33Å; D63-R824 IonicContact OD2-CZ 3.87Å; D63-R824 IonicContact OD2-NE 2.65Å; D63-R824 IonicContact OD2-NH1 2.86Å; D63-R824 PolarHBondContact OD2-NH1 2.91Å
64	V	92.2	Very high	92.7	Very high	23 Å²	23	26.8 Å²	26.8	14%	0.139	15%	0.154	C	C	.	.			trans	-72.9	129.5	-179.1	60.1	0	0	0	0	110.9	W9 H54 I56 W62 F742	W9-V64 HydrophobicContact CH2-CG1 4.31Å; W9-V64 HydrophobicContact CH2-CG2 4.33Å; W9-V64 HydrophobicContact CZ3-CG1 4.35Å; H54-V64 HydrophobicContact CB-CG2 3.89Å; I56-V64 HydrophobicContact CG2-CB 3.68Å; I56-V64 HydrophobicContact CG2-CG2 3.55Å; W62-V64 PolarHBondContact O-N 2.8Å; V64-F742 HydrophobicContact CB-CD1 3.7Å; V64-F742 HydrophobicContact CB-CE1 4.26Å; V64-F742 HydrophobicContact CB-CG 4.41Å; V64-F742 HydrophobicContact CG1-CB 3.62Å; V64-F742 HydrophobicContact CG1-CD1 3.61Å; V64-F742 HydrophobicContact CG1-CG 3.85Å; V64-F742 HydrophobicContact CG2-CD1 4.33Å
65	F	93.4	Very high	92.7	Very high	54 Å²	54	26.8 Å²	26.8	24%	0.237	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120	168.6	-170.2	-106.1	0	0	0	109.6	H54 I55 I67 N107 W109	H54-F65 CarbonylContact C-O 3.45Å; H54-F65 WeakPolarHBondContact CA-O 3.34Å; I55-F65 PolarHBondContact N-O 3.35Å; I55-F65 PolarHBondContact O-N 2.9Å; F65-I67 HydrophobicContact CD1-CD1 3.95Å; F65-I67 HydrophobicContact CD1-CG1 3.61Å; F65-I67 HydrophobicContact CE1-CD1 3.79Å; F65-I67 HydrophobicContact CE1-CG1 3.37Å; F65-I67 HydrophobicContact CZ-CG1 4.42Å; F65-N107 HydrophobicContact CB-CB 4.2Å; F65-N107 VanDerWaalsContact CD2-C 3.42Å; F65-N107 HydrophobicContact CD2-CB 4Å; F65-N107 WeakPolarHBondContact CD2-O 3.42Å; F65-N107 WeakPolarHBondContact CE2-O 3.41Å; F65-N107 HydrophobicContact CG-CB 4.35Å; F65-W109 HydrophobicContact CD1-CB 4.39Å; F65-W109 AromaticContact CD1-CD1 3.33Å; F65-W109 HydrophobicContact CD1-CG 4.13Å; F65-W109 HydrophobicContact CE1-CB 3.78Å; F65-W109 AromaticContact CE1-CD1 3.5Å; F65-W109 VanDerWaalsContact CE1-CD1 3.5Å; F65-W109 AromaticContact CE1-CG 3.99Å; F65-W109 HydrophobicContact CE1-CG 3.99Å
66	S	93.9	Very high	92.5	Very high	47 Å²	47	28.1 Å²	28.1	33%	0.329	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.8	-177.3	-58.1	0	0	0	0	110.6	H54	H54-S66 PolarHBondContact CE1-OG 3.48Å; H54-S66 WeakPolarHBondContact ND1-CB 3.35Å; H54-S66 PolarHBondContact ND1-OG 2.96Å
67	I	93.4	Very high	92.6	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.072	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.6	-174.5	-55.1	171.4	0	0	0	108.3	M52 I53 I55 F65 S69 W99 W109	M52-I67 VanDerWaalsContact CA-O 3.31Å; M52-I67 WeakPolarHBondContact CA-O 3.33Å; M52-I67 VanDerWaalsContact CE-C 3.5Å; M52-I67 WeakPolarHBondContact CE-O 3.42Å; I53-I67 HydrophobicContact CB-CB 4.35Å; I53-I67 PolarHBondContact N-O 3Å; I53-I67 PolarHBondContact O-N 3.42Å; I55-I67 HydrophobicContact CD1-CD1 3.98Å; F65-I67 HydrophobicContact CD1-CD1 3.95Å; F65-I67 HydrophobicContact CD1-CG1 3.61Å; F65-I67 HydrophobicContact CE1-CD1 3.79Å; F65-I67 HydrophobicContact CE1-CG1 3.37Å; F65-I67 HydrophobicContact CZ-CG1 4.42Å; I67-S69 PolarHBondContact O-N 2.91Å; I67-W99 HydrophobicContact CD1-CE3 4.28Å; I67-W99 HydrophobicContact CG2-CE3 4.04Å; I67-W99 HydrophobicContact CG2-CH2 3.62Å; I67-W99 HydrophobicContact CG2-CZ2 4.39Å; I67-W99 HydrophobicContact CG2-CZ3 3.42Å; I67-W99 VanDerWaalsContact CG2-CZ3 3.42Å; I67-W109 HydrophobicContact CD1-CB 3.72Å; I67-W109 HydrophobicContact CD1-CG 4.09Å
68	N	93.3	Very high	92.7	Very high	91 Å²	91	28.1 Å²	28.1	49%	0.487	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.2	160.5	-174.2	-22.2	0	0	0	107.5	S50 M52 G70	S50-N68 PolarHBondContact OG-ND2 3.41Å; M52-N68 HydrophobicContact CE-CB 4.31Å; M52-N68 HydrophobicContact SD-CB 3.97Å; N68-G70 PolarHBondContact O-N 2.76Å; N68-G70 PolarHBondContact OD1-N 3.25Å
69	S	92.7	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.			trans	-69.9	-20.4	-168.8	70.8	0	0	0	0	113.4	H51 I67 H71 R97 W99	H51-S69 VanDerWaalsContact O-CB 3.23Å; H51-S69 WeakPolarHBondContact O-CB 3.35Å; H51-S69 PolarHBondContact O-N 3.41Å; H51-S69 PolarHBondContact O-OG 3.18Å; I67-S69 PolarHBondContact O-N 2.91Å; S69-H71 PolarHBondContact O-N 3.21Å; S69-H71 WeakPolarHBondContact OG-CB 3.47Å; S69-H71 PolarHBondContact OG-CD2 3.17Å; S69-H71 PolarHBondContact OG-N 3.24Å; S69-R97 WeakPolarHBondContact O-CD 3.47Å; S69-R97 PolarHBondContact O-NE 3.43Å; S69-R97 PolarHBondContact O-NH1 3.07Å; S69-W99 WeakPolarHBondContact O-CH2 3.39Å; S69-W99 WeakPolarHBondContact O-CZ2 3.32Å
70	G	92	Very high	93.1	Very high	33 Å²	33	31 Å²	31	34%	0.34	18%	0.177	S	C	.	.			trans	62	19.6	-171.8	0	0	0	0	0	113.8	N68 R97	N68-G70 PolarHBondContact O-N 2.76Å; N68-G70 PolarHBondContact OD1-N 3.25Å; G70-R97 PolarHBondContact O-NH2 2.93Å
71	H	93.2	Very high	93.3	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.046	18%	0.179	C	C	.	.			trans	-72.6	139.6	163.6	-76.1	-70	0	0	0	109.3	S69 I75 S89 D91 R95	S69-H71 PolarHBondContact O-N 3.21Å; S69-H71 WeakPolarHBondContact OG-CB 3.47Å; S69-H71 PolarHBondContact OG-CD2 3.17Å; S69-H71 PolarHBondContact OG-N 3.24Å; H71-I75 HydrophobicContact CB-CG1 4.29Å; H71-S89 PolarHBondContact NE2-OG 3.44Å; H71-D91 HydrophobicContact CB-CB 3.91Å; H71-D91 WeakPolarHBondContact CB-OD2 3.41Å; H71-D91 IonicContact CE1-OD2 2.9Å; H71-D91 IonicContact CG-OD2 2.74Å; H71-D91 WeakPolarHBondContact ND1-CB 3.46Å; H71-D91 IonicContact ND1-OD2 3.78Å; H71-D91 PolarHBondContact ND1-OD2 3Å; H71-R95 PolarHBondContact CE1-O 3.46Å
72	S	90.7	Very high	93.2	Very high	66 Å²	66	34.3 Å²	34.3	46%	0.462	19%	0.193	S	C	.	.	S	Bend	trans	-80.2	-26.4	177.8	35.6	0	0	0	0	112.1	D93	S72-D93 PolarHBondContact OG-OD2 2.95Å
73	E	91.8	Very high	93.3	Very high	99 Å²	99	35.7 Å²	35.7	46%	0.463	21%	0.205	S	C	.	.	S	Bend	trans	-124.4	170.3	-177.7	-74	-63.1	148	0	0	111.2	H51 I75 D91 D93	H51-E73 PolarHBondContact CD2-O 3.05Å; H51-E73 VanDerWaalsContact NE2-C 3.25Å; E73-I75 PolarHBondContact O-N 3.17Å; E73-D91 HydrophobicContact CB-CB 4.3Å; E73-D91 WeakPolarHBondContact O-CB 3.35Å; E73-D93 HydrophobicContact CB-CB 4.28Å; E73-D93 HydrophobicContact CG-CB 3.93Å
74	V	91.9	Very high	93.5	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.2	19%	0.194	C	C	.	.			trans	-58.1	132.8	-179.7	-175.6	0	0	0	0	110.7	H51 S76 D91 G92	H51-V74 PolarHBondContact NE2-N 3.09Å; V74-S76 PolarHBondContact O-N 3.44Å; V74-D91 WeakPolarHBondContact O-CA 3.33Å; V74-G92 PolarHBondContact O-N 3.33Å; V74-G92 VanDerWaalsContact O-N 3.1Å
75	I	95.5	Very high	93.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	117.4	176.6	-59.4	170.9	0	0	0	109.2	V24 T36 H51 I53 H71 E73 C77 L78 A90	V24-I75 HydrophobicContact CG2-CG2 4.09Å; T36-I75 HydrophobicContact CG2-CB 3.91Å; T36-I75 HydrophobicContact CG2-CD1 3.85Å; T36-I75 HydrophobicContact CG2-CG1 4.49Å; T36-I75 HydrophobicContact CG2-CG2 3.85Å; H51-I75 HydrophobicContact CB-CD1 4.21Å; H51-I75 HydrophobicContact CB-CG1 4.19Å; I53-I75 HydrophobicContact CD1-CD1 3.99Å; I53-I75 HydrophobicContact CG1-CD1 3.53Å; H71-I75 HydrophobicContact CB-CG1 4.29Å; E73-I75 PolarHBondContact O-N 3.17Å; I75-C77 WeakPolarHBondContact CG2-O 3.42Å; I75-L78 HydrophobicContact CG2-CD2 4.24Å; I75-L78 HydrophobicContact CG2-CG 4.3Å; I75-A90 CarbonylContact C-O 3.56Å; I75-A90 WeakPolarHBondContact CA-O 3.48Å; I75-A90 WeakPolarHBondContact CG2-O 3.46Å
76	S	94.6	Very high	93.6	Very high	30 Å²	30	33.3 Å²	33.3	21%	0.21	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-18.6	-176.9	65.2	0	0	0	0	113.7	V24 V74 A90 I122	V24-S76 WeakPolarHBondContact CG1-O 3.04Å; V74-S76 PolarHBondContact O-N 3.44Å; S76-A90 PolarHBondContact N-O 3.3Å; S76-A90 PolarHBondContact OG-O 3.21Å; S76-I122 WeakPolarHBondContact CB-O 3.41Å; S76-I122 PolarHBondContact OG-O 3.35Å
77	C	96.1	Very high	93.8	Very high	13 Å²	13	31 Å²	31	9%	0.088	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.1	-176.1	-66	0	0	0	0	111.8	I75 S89 A90 L125	I75-C77 WeakPolarHBondContact CG2-O 3.42Å; C77-S89 WeakPolarHBondContact O-CA 3.47Å; C77-A90 HydrophobicContact CB-CB 4.18Å; C77-A90 PolarHBondContact N-O 3.06Å; C77-A90 PolarHBondContact O-N 2.87Å; C77-L125 HydrophobicContact CB-CB 3.76Å; C77-L125 HydrophobicContact CB-CD2 3.9Å
78	L	96.9	Very high	94	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	121.4	169.4	-80	-173.5	0	0	0	110.7	V24 S26 A34 T36 I53 I75 L87 L88	V24-L78 HydrophobicContact CG2-CB 4.27Å; V24-L78 HydrophobicContact CG2-CD1 4.03Å; V24-L78 HydrophobicContact CG2-CG 3.77Å; S26-L78 WeakPolarHBondContact CB-O 3.45Å; A34-L78 HydrophobicContact CB-CD1 4.29Å; T36-L78 HydrophobicContact CG2-CD1 3.66Å; T36-L78 HydrophobicContact CG2-CG 4.14Å; I53-L78 HydrophobicContact CD1-CD2 4.22Å; I53-L78 HydrophobicContact CG1-CD2 4.43Å; I75-L78 HydrophobicContact CG2-CD2 4.24Å; I75-L78 HydrophobicContact CG2-CG 4.3Å; L78-L87 HydrophobicContact CD2-CD1 4.4Å; L78-L87 HydrophobicContact CD2-CD2 4.21Å; L78-L87 HydrophobicContact CD2-CG 4.34Å; L78-L88 WeakPolarHBondContact CA-O 3.19Å
79	E	96.9	Very high	94.2	Very high	60 Å²	60	26 Å²	26	28%	0.28	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	120.1	-175	-77.5	-63.4	158.5	0	0	113.9	L88 L125 W127	E79-L88 HydrophobicContact CB-CB 4.49Å; E79-L88 PolarHBondContact N-O 2.85Å; E79-L88 PolarHBondContact O-N 3.29Å; E79-L125 WeakPolarHBondContact CG-O 3.41Å; E79-W127 PolarHBondContact O-NE1 2.92Å; E79-W127 VanDerWaalsContact O-NE1 3.12Å
80	W	96.8	Very high	94.4	Very high	9 Å²	9	26 Å²	26	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.2	173.6	-72.2	109.2	0	0	0	111.4	S26 W27 S28 L32 A34 I55 L87 W109 W127	S26-W80 PolarHBondContact O-NE1 3.37Å; S26-W80 VanDerWaalsContact O-NE1 3.08Å; S26-W80 VanDerWaalsContact OG-CD1 3.26Å; W27-W80 VanDerWaalsContact C-CD1 3.49Å; S28-W80 VanDerWaalsContact N-CD1 3.32Å; L32-W80 HydrophobicContact CB-CH2 4.26Å; L32-W80 HydrophobicContact CB-CZ2 4.02Å; L32-W80 HydrophobicContact CD1-CH2 4.37Å; A34-W80 HydrophobicContact CB-CZ2 3.72Å; I55-W80 HydrophobicContact CD1-CH2 4.28Å; I55-W80 HydrophobicContact CG2-CH2 4.14Å; I55-W80 HydrophobicContact CG2-CZ2 4.32Å; W80-L87 HydrophobicContact CD2-CD1 3.85Å; W80-L87 HydrophobicContact CE3-CB 4Å; W80-L87 HydrophobicContact CE3-CD1 4.17Å; W80-L87 HydrophobicContact CG-CD1 4.19Å; W80-L87 HydrophobicContact CH2-CB 4.26Å; W80-L87 HydrophobicContact CH2-CD2 4.48Å; W80-L87 HydrophobicContact CZ2-CD1 4.36Å; W80-L87 HydrophobicContact CZ3-CB 3.81Å; W80-L87 HydrophobicContact CZ3-CD1 4.49Å; W80-W109 AromaticContact CH2-CH2 3.52Å; W80-W109 HydrophobicContact CH2-CH2 3.52Å; W80-W109 AromaticContact CH2-CZ2 3.87Å; W80-W109 HydrophobicContact CH2-CZ2 3.87Å; W80-W109 HydrophobicContact CH2-CZ3 4.23Å; W80-W109 AromaticContact CZ3-CH2 3.34Å; W80-W109 HydrophobicContact CZ3-CH2 3.34Å; W80-W109 HydrophobicContact CZ3-CZ2 4.16Å; W80-W109 AromaticContact CZ3-CZ3 3.87Å; W80-W109 HydrophobicContact CZ3-CZ3 3.87Å; W80-W127 VanDerWaalsContact O-CD1 3.31Å
81	D	94.6	Very high	94.5	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.053	14%	0.135	C	C	.	.			trans	-71.3	164.6	166.9	86.8	-44.9	0	0	0	111.1	S83 G84 S85 R86 W127	D81-S83 PolarHBondContact O-N 3.45Å; D81-S83 VanDerWaalsContact O-N 3.13Å; D81-S83 PolarHBondContact OD1-OG 2.93Å; D81-S83 VanDerWaalsContact OD1-OG 3.04Å; D81-S83 WeakPolarHBondContact OD2-CB 3.45Å; D81-S83 PolarHBondContact OD2-N 3.04Å; D81-S83 PolarHBondContact OD2-OG 3.06Å; D81-G84 PolarHBondContact O-N 2.92Å; D81-G84 WeakPolarHBondContact OD1-CA 3.35Å; D81-G84 PolarHBondContact OD1-N 3.27Å; D81-S85 PolarHBondContact OD1-N 3.46Å; D81-R86 HydrophobicContact CB-CB 4.13Å; D81-R86 PolarHBondContact N-O 3.5Å; D81-R86 PolarHBondContact OD1-N 3.31Å; D81-R86 IonicContact OD2-NE 2.7Å; D81-R86 IonicContact OD2-NH2 3.78Å; D81-W127 HydrophobicContact CB-CD2 3.83Å; D81-W127 VanDerWaalsContact CB-CE2 3.49Å; D81-W127 HydrophobicContact CB-CE3 4.4Å; D81-W127 HydrophobicContact CB-CG 4.19Å; D81-W127 HydrophobicContact CB-CH2 4.37Å; D81-W127 HydrophobicContact CB-CZ2 3.78Å
82	Q	90.5	Very high	94.3	Very high	63 Å²	63	25.3 Å²	25.3	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.8	-177.9	-164	-174.9	32.9	0	0	112.6	C29 N130 V132	C29-Q82 PolarHBondContact SG-O 2.68Å; Q82-N130 PolarHBondContact OE1-ND2 3.01Å; Q82-N130 PolarHBondContact OE1-OD1 3.36Å; Q82-N130 VanDerWaalsContact OE1-OD1 3.04Å; Q82-V132 PolarHBondContact NE2-O 2.88Å
83	S	90.5	Very high	94.4	Very high	43 Å²	43	25.6 Å²	25.6	30%	0.301	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.3	177.4	82.3	0	0	0	0	113.6	R30 D81 S85	R30-S83 VanDerWaalsContact CZ-O 3.31Å; R30-S83 PolarHBondContact NE-O 3.38Å; R30-S83 PolarHBondContact NH2-O 2.96Å; D81-S83 PolarHBondContact O-N 3.45Å; D81-S83 VanDerWaalsContact O-N 3.13Å; D81-S83 PolarHBondContact OD1-OG 2.93Å; D81-S83 VanDerWaalsContact OD1-OG 3.04Å; D81-S83 WeakPolarHBondContact OD2-CB 3.45Å; D81-S83 PolarHBondContact OD2-N 3.04Å; D81-S83 PolarHBondContact OD2-OG 3.06Å; S83-S85 VanDerWaalsContact C-N 3.32Å; S83-S85 PolarHBondContact OG-N 3.1Å; S83-S85 PolarHBondContact OG-OG 3.24Å
84	G	93.1	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	69.8	22.9	-172.8	0	0	0	0	0	114.2	D81 M101	D81-G84 PolarHBondContact O-N 2.92Å; D81-G84 WeakPolarHBondContact OD1-CA 3.35Å; D81-G84 PolarHBondContact OD1-N 3.27Å; G84-M101 VanDerWaalsContact O-CE 3.31Å; G84-M101 WeakPolarHBondContact O-CE 3.19Å
85	S	92.3	Very high	94.7	Very high	28 Å²	28	23.7 Å²	23.7	20%	0.196	13%	0.127	C	C	.	.	S	Bend	trans	-116.1	-8.6	-179.7	68.3	0	0	0	0	114.6	D81 S83 M101	D81-S85 PolarHBondContact OD1-N 3.46Å; S83-S85 VanDerWaalsContact C-N 3.32Å; S83-S85 PolarHBondContact OG-N 3.1Å; S83-S85 PolarHBondContact OG-OG 3.24Å; S85-M101 PolarHBondContact O-N 3.14Å
86	R	95	Very high	94.8	Very high	43 Å²	43	23.7 Å²	23.7	16%	0.162	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.5	171.9	-64.5	-178	-68.8	-160.1	-8.4	110.8	D81 W99 W127 E168	D81-R86 HydrophobicContact CB-CB 4.13Å; D81-R86 PolarHBondContact N-O 3.5Å; D81-R86 PolarHBondContact OD1-N 3.31Å; D81-R86 IonicContact OD2-NE 2.7Å; D81-R86 IonicContact OD2-NH2 3.78Å; R86-W99 CarbonylContact C-O 3.57Å; R86-W99 WeakPolarHBondContact CA-O 3.44Å; R86-W99 WeakPolarHBondContact CB-O 3.41Å; R86-W127 HydrophobicContact CB-CH2 3.79Å; R86-W127 HydrophobicContact CB-CZ2 3.65Å; R86-W127 HydrophobicContact CG-CH2 4.49Å; R86-E168 IonicContact CZ-OE1 3.1Å; R86-E168 IonicContact CZ-OE2 2.63Å; R86-E168 VanDerWaalsContact CZ-OE2 3.29Å; R86-E168 IonicContact NH1-OE2 3.68Å; R86-E168 PolarHBondContact NH1-OE2 2.63Å; R86-E168 IonicContact NH2-OE1 2.81Å; R86-E168 PolarHBondContact NH2-OE1 2.87Å; R86-E168 IonicContact NH2-OE2 2.93Å; R86-E168 PolarHBondContact NH2-OE2 2.7Å
87	L	97.4	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.9	178.3	179	67.5	0	0	0	108.5	A34 I53 I55 L78 W80 W99 W109	A34-L87 HydrophobicContact CB-CD1 4.25Å; A34-L87 HydrophobicContact CB-CD2 3.82Å; I53-L87 HydrophobicContact CG2-CD2 3.92Å; I55-L87 HydrophobicContact CD1-CD2 4.04Å; I55-L87 HydrophobicContact CG1-CD2 4.4Å; L78-L87 HydrophobicContact CD2-CD1 4.4Å; L78-L87 HydrophobicContact CD2-CD2 4.21Å; L78-L87 HydrophobicContact CD2-CG 4.34Å; W80-L87 HydrophobicContact CD2-CD1 3.85Å; W80-L87 HydrophobicContact CE3-CB 4Å; W80-L87 HydrophobicContact CE3-CD1 4.17Å; W80-L87 HydrophobicContact CG-CD1 4.19Å; W80-L87 HydrophobicContact CH2-CB 4.26Å; W80-L87 HydrophobicContact CH2-CD2 4.48Å; W80-L87 HydrophobicContact CZ2-CD1 4.36Å; W80-L87 HydrophobicContact CZ3-CB 3.81Å; W80-L87 HydrophobicContact CZ3-CD1 4.49Å; L87-W99 HydrophobicContact CB-CB 4.27Å; L87-W99 PolarHBondContact N-O 2.92Å; L87-W99 VanDerWaalsContact O-CD1 3.3Å; L87-W99 PolarHBondContact O-N 2.86Å; L87-W109 HydrophobicContact CB-CZ3 4.45Å
88	L	97.9	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.7	167.6	-63.4	170.2	0	0	0	109.8	L78 E79 R97 C98 L125 W127 W170	L78-L88 WeakPolarHBondContact CA-O 3.19Å; E79-L88 HydrophobicContact CB-CB 4.49Å; E79-L88 PolarHBondContact N-O 2.85Å; E79-L88 PolarHBondContact O-N 3.29Å; L88-R97 WeakPolarHBondContact CA-O 3.43Å; L88-C98 HydrophobicContact CD2-CB 3.71Å; L88-L125 HydrophobicContact CB-CD2 3.51Å; L88-L125 HydrophobicContact CB-CG 4.17Å; L88-L125 HydrophobicContact CD1-CD1 4.18Å; L88-L125 HydrophobicContact CD1-CD2 4.32Å; L88-L125 HydrophobicContact CD1-CG 4.06Å; L88-W127 HydrophobicContact CD1-CD2 3.78Å; L88-W127 VanDerWaalsContact CD1-CE2 3.47Å; L88-W127 HydrophobicContact CD1-CE3 4.45Å; L88-W127 HydrophobicContact CD1-CG 4.01Å; L88-W127 HydrophobicContact CD1-CZ2 3.94Å; L88-W127 HydrophobicContact CD2-CH2 4.02Å; L88-W127 HydrophobicContact CD2-CZ2 3.73Å; L88-W127 HydrophobicContact CG-CD2 4.24Å; L88-W127 VanDerWaalsContact CG-CE2 3.45Å; L88-W127 HydrophobicContact CG-CH2 4.2Å; L88-W127 HydrophobicContact CG-CZ2 3.44Å; L88-W127 VanDerWaalsContact CG-CZ2 3.44Å; L88-W170 HydrophobicContact CD1-CB 3.51Å; L88-W170 HydrophobicContact CD1-CD2 4.45Å; L88-W170 HydrophobicContact CD1-CG 3.96Å; L88-W170 HydrophobicContact CD2-CD2 3.91Å; L88-W170 HydrophobicContact CD2-CE3 3.94Å; L88-W170 HydrophobicContact CD2-CG 4.21Å; L88-W170 HydrophobicContact CD2-CZ3 4.42Å
89	S	97.8	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.3	164.4	63.1	0	0	0	0	110.1	H71 C77 I96 R97 W99	H71-S89 PolarHBondContact NE2-OG 3.44Å; C77-S89 WeakPolarHBondContact O-CA 3.47Å; S89-I96 CarbonylContact O-C 3.38Å; S89-I96 WeakPolarHBondContact O-CA 3.29Å; S89-R97 PolarHBondContact N-O 3.27Å; S89-R97 PolarHBondContact O-N 3.22Å; S89-W99 PolarHBondContact OG-NE1 3.34Å
90	A	96.8	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.1	169.9	0	0	0	0	0	111.4	I75 S76 C77 R95 I96 I122 L125	I75-A90 CarbonylContact C-O 3.56Å; I75-A90 WeakPolarHBondContact CA-O 3.48Å; I75-A90 WeakPolarHBondContact CG2-O 3.46Å; S76-A90 PolarHBondContact N-O 3.3Å; S76-A90 PolarHBondContact OG-O 3.21Å; C77-A90 HydrophobicContact CB-CB 4.18Å; C77-A90 PolarHBondContact N-O 3.06Å; C77-A90 PolarHBondContact O-N 2.87Å; A90-R95 CarbonylContact C-O 3.58Å; A90-R95 WeakPolarHBondContact CA-O 3.49Å; A90-I96 HydrophobicContact CB-CG1 3.95Å; A90-I122 HydrophobicContact CB-CB 3.72Å; A90-I122 HydrophobicContact CB-CG1 3.81Å; A90-I122 HydrophobicContact CB-CG2 3.78Å; A90-L125 HydrophobicContact CB-CD2 3.95Å
91	D	94.1	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	178.7	-175.5	68.3	14.5	0	0	0	114.7	H71 E73 V74 D93 G94 R95 I122	H71-D91 HydrophobicContact CB-CB 3.91Å; H71-D91 WeakPolarHBondContact CB-OD2 3.41Å; H71-D91 IonicContact CE1-OD2 2.9Å; H71-D91 IonicContact CG-OD2 2.74Å; H71-D91 WeakPolarHBondContact ND1-CB 3.46Å; H71-D91 IonicContact ND1-OD2 3.78Å; H71-D91 PolarHBondContact ND1-OD2 3Å; E73-D91 HydrophobicContact CB-CB 4.3Å; E73-D91 WeakPolarHBondContact O-CB 3.35Å; V74-D91 WeakPolarHBondContact O-CA 3.33Å; D91-D93 PolarHBondContact O-N 3.39Å; D91-D93 PolarHBondContact OD1-N 3.45Å; D91-G94 PolarHBondContact O-N 3.17Å; D91-G94 PolarHBondContact OD1-N 3.08Å; D91-R95 PolarHBondContact N-O 3.31Å; D91-R95 WeakPolarHBondContact OD1-CB 3.29Å; D91-R95 PolarHBondContact OD1-N 3.22Å; D91-R95 WeakPolarHBondContact OD2-CB 3.29Å; D91-I122 PolarHBondContact O-N 3.45Å
92	G	90.1	Very high	94.4	Very high	27 Å²	27	23.3 Å²	23.3	28%	0.278	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.5	175.8	0	0	0	0	0	115.7	V74 P121	V74-G92 PolarHBondContact O-N 3.33Å; V74-G92 VanDerWaalsContact O-N 3.1Å; G92-P121 WeakPolarHBondContact O-CA 3.3Å; G92-P121 WeakPolarHBondContact O-CB 3.5Å; G92-P121 WeakPolarHBondContact O-CG 3.32Å
93	D	91.9	Very high	94.3	Very high	72 Å²	72	25.2 Å²	25.2	39%	0.385	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	4.5	179.2	-163	29	0	0	0	112.1	S72 E73 D91 G119	S72-D93 PolarHBondContact OG-OD2 2.95Å; E73-D93 HydrophobicContact CB-CB 4.28Å; E73-D93 HydrophobicContact CG-CB 3.93Å; D91-D93 PolarHBondContact O-N 3.39Å; D91-D93 PolarHBondContact OD1-N 3.45Å; D93-G119 PolarHBondContact O-N 2.7Å
94	G	94.2	Very high	94.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	84.8	11.5	179.4	0	0	0	0	0	114	D91 S116 V117 D120	D91-G94 PolarHBondContact O-N 3.17Å; D91-G94 PolarHBondContact OD1-N 3.08Å; G94-S116 CarbonylContact O-C 3.56Å; G94-S116 WeakPolarHBondContact O-CA 3.31Å; G94-V117 WeakPolarHBondContact CA-O 3.33Å; G94-V117 PolarHBondContact O-N 2.7Å; G94-D120 WeakPolarHBondContact CA-O 3.5Å
95	R	95.8	Very high	94.4	Very high	93 Å²	93	26.2 Å²	26.2	35%	0.351	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.8	179.1	-165.3	173.8	-172.5	164.5	6.8	110.6	H71 A90 D91 R97	H71-R95 PolarHBondContact CE1-O 3.46Å; A90-R95 CarbonylContact C-O 3.58Å; A90-R95 WeakPolarHBondContact CA-O 3.49Å; D91-R95 PolarHBondContact N-O 3.31Å; D91-R95 WeakPolarHBondContact OD1-CB 3.29Å; D91-R95 PolarHBondContact OD1-N 3.22Å; D91-R95 WeakPolarHBondContact OD2-CB 3.29Å; R95-R97 VanDerWaalsContact CZ-NH2 3.27Å
96	I	97.3	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.3	176.6	-55	165.1	0	0	0	108.5	S89 A90 S114 S115 I122 L125 A172 T180	S89-I96 CarbonylContact O-C 3.38Å; S89-I96 WeakPolarHBondContact O-CA 3.29Å; A90-I96 HydrophobicContact CB-CG1 3.95Å; I96-S114 CarbonylContact O-C 3.57Å; I96-S114 WeakPolarHBondContact O-CA 3.17Å; I96-S114 VanDerWaalsContact O-CB 3.22Å; I96-S114 WeakPolarHBondContact O-CB 3.43Å; I96-S115 PolarHBondContact N-O 2.88Å; I96-S115 PolarHBondContact O-N 2.83Å; I96-S115 VanDerWaalsContact O-O 3.09Å; I96-I122 HydrophobicContact CD1-CD1 4.28Å; I96-I122 HydrophobicContact CD1-CG1 4.36Å; I96-I122 HydrophobicContact CG1-CD1 4.41Å; I96-I122 HydrophobicContact CG1-CG1 4Å; I96-L125 HydrophobicContact CD1-CD1 4.38Å; I96-L125 HydrophobicContact CG2-CD1 4.09Å; I96-A172 HydrophobicContact CD1-CB 3.51Å; I96-T180 HydrophobicContact CD1-CG2 4.15Å
97	R	96.9	Very high	94.2	Very high	43 Å²	43	24.7 Å²	24.7	16%	0.162	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.9	175.9	-68.5	-179	176.2	-131.4	7.1	110.3	S69 G70 L88 S89 R95 W99	S69-R97 WeakPolarHBondContact O-CD 3.47Å; S69-R97 PolarHBondContact O-NE 3.43Å; S69-R97 PolarHBondContact O-NH1 3.07Å; G70-R97 PolarHBondContact O-NH2 2.93Å; L88-R97 WeakPolarHBondContact CA-O 3.43Å; S89-R97 PolarHBondContact N-O 3.27Å; S89-R97 PolarHBondContact O-N 3.22Å; R95-R97 VanDerWaalsContact CZ-NH2 3.27Å; R97-W99 HydrophobicContact CB-CZ2 4.25Å
98	C	96.4	Very high	94	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.5	171.6	176.3	0	0	0	0	109.1	L88 S111 L113 W170	L88-C98 HydrophobicContact CD2-CB 3.71Å; C98-S111 WeakPolarHBondContact O-CA 3.47Å; C98-S111 PolarHBondContact O-OG 2.81Å; C98-L113 HydrophobicContact CB-CB 4.12Å; C98-L113 PolarHBondContact N-O 3.39Å; C98-W170 HydrophobicContact CB-CH2 4.04Å; C98-W170 HydrophobicContact CB-CZ3 4.1Å
99	W	96.3	Very high	93.8	Very high	11 Å²	11	26.9 Å²	26.9	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.6	177.1	-52.2	89.7	0	0	0	109.5	I53 I67 S69 R86 L87 S89 R97 W109 E110	I53-W99 HydrophobicContact CD1-CZ2 4.07Å; I67-W99 HydrophobicContact CD1-CE3 4.28Å; I67-W99 HydrophobicContact CG2-CE3 4.04Å; I67-W99 HydrophobicContact CG2-CH2 3.62Å; I67-W99 HydrophobicContact CG2-CZ2 4.39Å; I67-W99 HydrophobicContact CG2-CZ3 3.42Å; I67-W99 VanDerWaalsContact CG2-CZ3 3.42Å; S69-W99 WeakPolarHBondContact O-CH2 3.39Å; S69-W99 WeakPolarHBondContact O-CZ2 3.32Å; R86-W99 CarbonylContact C-O 3.57Å; R86-W99 WeakPolarHBondContact CA-O 3.44Å; R86-W99 WeakPolarHBondContact CB-O 3.41Å; L87-W99 HydrophobicContact CB-CB 4.27Å; L87-W99 PolarHBondContact N-O 2.92Å; L87-W99 VanDerWaalsContact O-CD1 3.3Å; L87-W99 PolarHBondContact O-N 2.86Å; S89-W99 PolarHBondContact OG-NE1 3.34Å; R97-W99 HydrophobicContact CB-CZ2 4.25Å; W99-W109 HydrophobicContact CB-CE3 4.11Å; W99-E110 CarbonylContact C-O 3.49Å; W99-E110 WeakPolarHBondContact CA-O 3.38Å
100	S	93.9	Very high	93.6	Very high	36 Å²	36	32 Å²	32	25%	0.252	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.8	177	-56.1	0	0	0	0	110.4	S102 W109 E110	S100-S102 PolarHBondContact O-N 2.99Å; S100-W109 WeakPolarHBondContact O-CA 3.42Å; S100-E110 PolarHBondContact N-O 2.82Å; S100-E110 PolarHBondContact O-N 3.27Å; S100-E110 VanDerWaalsContact O-N 3.1Å
101	M	92.4	Very high	93.4	Very high	17 Å²	17	33.8 Å²	33.8	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	114.4	170.6	-66.9	176.2	-177.1	0	0	110.3	L32 G84 S85 S108 W109	L32-M101 HydrophobicContact CD1-CE 3.21Å; G84-M101 VanDerWaalsContact O-CE 3.31Å; G84-M101 WeakPolarHBondContact O-CE 3.19Å; S85-M101 PolarHBondContact O-N 3.14Å; M101-S108 WeakPolarHBondContact CA-O 3.31Å; M101-W109 HydrophobicContact CE-CH2 3.53Å; M101-W109 HydrophobicContact CE-CZ2 3.54Å; M101-W109 HydrophobicContact CG-CD2 4.28Å; M101-W109 HydrophobicContact CG-CE3 4.24Å; M101-W109 HydrophobicContact CG-CH2 3.3Å; M101-W109 HydrophobicContact CG-CZ2 3.41Å; M101-W109 VanDerWaalsContact CG-CZ2 3.41Å; M101-W109 HydrophobicContact CG-CZ3 3.78Å; M101-W109 HydrophobicContact SD-CH2 4.28Å; M101-W109 HydrophobicContact SD-CZ2 4.34Å
102	S	91.2	Very high	92.7	Very high	13 Å²	13	37.7 Å²	37.7	9%	0.091	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-76.1	134.1	175.3	-56.9	0	0	0	0	109.7	S100 H104 L105 S108 E110	S100-S102 PolarHBondContact O-N 2.99Å; S102-H104 PolarHBondContact O-N 3.11Å; S102-L105 PolarHBondContact O-N 3.14Å; S102-S108 PolarHBondContact N-O 2.81Å; S102-E110 WeakPolarHBondContact CB-OE1 3.34Å; S102-E110 WeakPolarHBondContact OG-CB 3.02Å; S102-E110 WeakPolarHBondContact OG-CG 3.29Å; S102-E110 PolarHBondContact OG-N 3.35Å; S102-E110 PolarHBondContact OG-OE1 3.36Å
103	E	89.2	Confident	92.8	Very high	103 Å²	103	38.4 Å²	38.4	48%	0.481	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	53.9	20.3	-178.5	-55.3	179.2	168.7	0	0	114.4	L105 R825	E103-L105 VanDerWaalsContact C-N 3.29Å; E103-L105 HydrophobicContact CB-CD1 3.97Å; E103-L105 HydrophobicContact CB-CG 4.22Å; E103-L105 PolarHBondContact O-N 2.77Å; E103-R825 IonicContact OE1-NH2 3.59Å; E103-R825 IonicContact OE2-CZ 2.72Å; E103-R825 IonicContact OE2-NH2 3.74Å; E103-R825 PolarHBondContact OE2-NH2 2.98Å
104	H	92.1	Very high	92.8	Very high	62 Å²	62	37.9 Å²	37.9	29%	0.287	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	59.8	32.4	-174	-50.5	-55.4	0	0	0	114.8	S102	S102-H104 PolarHBondContact O-N 3.11Å
105	L	93.3	Very high	92.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-101.6	130.9	177.5	-59.2	165.8	0	0	0	110.4	S102 E103 N107 S108 K786 L797 W823 R825	S102-L105 PolarHBondContact O-N 3.14Å; E103-L105 VanDerWaalsContact C-N 3.29Å; E103-L105 HydrophobicContact CB-CD1 3.97Å; E103-L105 HydrophobicContact CB-CG 4.22Å; E103-L105 PolarHBondContact O-N 2.77Å; L105-N107 PolarHBondContact O-N 3.41Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-S108 VanDerWaalsContact O-O 3.07Å; L105-K786 HydrophobicContact CD2-CB 4.01Å; L105-K786 HydrophobicContact CD2-CD 3.9Å; L105-L797 HydrophobicContact CD1-CD1 3.88Å; L105-W823 CarbonylContact C-O 3.26Å; L105-W823 VanDerWaalsContact CA-O 3.31Å; L105-W823 WeakPolarHBondContact CA-O 3.41Å; L105-W823 HydrophobicContact CD2-CB 3.8Å; L105-R825 HydrophobicContact CD1-CB 4.22Å
106	V	92.5	Very high	92.7	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.079	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.8	-176.8	-59.9	0	0	0	0	113.9	L32 W109 T789 L822 W823 R824	L32-V106 HydrophobicContact CD1-CG1 4.42Å; L32-V106 HydrophobicContact CD2-CB 4.45Å; L32-V106 HydrophobicContact CD2-CG1 4.37Å; V106-W109 PolarHBondContact O-NE1 3.03Å; V106-T789 HydrophobicContact CG2-CG2 4.11Å; V106-L822 HydrophobicContact CG1-CB 3.32Å; V106-L822 HydrophobicContact CG1-CD1 3.42Å; V106-L822 VanDerWaalsContact CG1-CD1 3.42Å; V106-L822 HydrophobicContact CG1-CG 3.94Å; V106-W823 WeakPolarHBondContact CG2-O 3.36Å; V106-W823 PolarHBondContact N-O 2.7Å; V106-R824 HydrophobicContact CG2-CB 3.67Å
107	N	90.9	Very high	92.4	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.144	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	31.4	176.9	64.4	-14.7	0	0	0	111.4	F65 L105 R825	F65-N107 HydrophobicContact CB-CB 4.2Å; F65-N107 VanDerWaalsContact CD2-C 3.42Å; F65-N107 HydrophobicContact CD2-CB 4Å; F65-N107 WeakPolarHBondContact CD2-O 3.42Å; F65-N107 WeakPolarHBondContact CE2-O 3.41Å; F65-N107 HydrophobicContact CG-CB 4.35Å; L105-N107 PolarHBondContact O-N 3.41Å; N107-R825 PolarHBondContact ND2-O 2.99Å; N107-R825 PolarHBondContact OD1-N 3.23Å
108	S	92.2	Very high	92	Very high	26 Å²	26	43 Å²	43	18%	0.182	25%	0.251	C	S	.	.			trans	-143.5	114.3	171.4	-166.2	0	0	0	0	108.9	M101 S102 L105	M101-S108 WeakPolarHBondContact CA-O 3.31Å; S102-S108 PolarHBondContact N-O 2.81Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-S108 VanDerWaalsContact O-O 3.07Å
109	W	94.1	Very high	91.5	Very high	19 Å²	19	45.6 Å²	45.6	7%	0.072	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.3	-178.1	-61.8	72.3	0	0	0	110.6	L32 I55 F65 I67 W80 L87 W99 S100 M101 V106	L32-W109 HydrophobicContact CD1-CZ2 4.16Å; I55-W109 HydrophobicContact CD1-CD2 3.55Å; I55-W109 VanDerWaalsContact CD1-CE2 3.42Å; I55-W109 HydrophobicContact CD1-CE3 4.04Å; I55-W109 HydrophobicContact CD1-CG 3.93Å; I55-W109 HydrophobicContact CD1-CH2 4.37Å; I55-W109 HydrophobicContact CD1-CZ2 3.86Å; I55-W109 HydrophobicContact CD1-CZ3 4.43Å; I55-W109 HydrophobicContact CG2-CZ2 4.08Å; F65-W109 HydrophobicContact CD1-CB 4.39Å; F65-W109 AromaticContact CD1-CD1 3.33Å; F65-W109 HydrophobicContact CD1-CG 4.13Å; F65-W109 HydrophobicContact CE1-CB 3.78Å; F65-W109 AromaticContact CE1-CD1 3.5Å; F65-W109 VanDerWaalsContact CE1-CD1 3.5Å; F65-W109 AromaticContact CE1-CG 3.99Å; F65-W109 HydrophobicContact CE1-CG 3.99Å; I67-W109 HydrophobicContact CD1-CB 3.72Å; I67-W109 HydrophobicContact CD1-CG 4.09Å; W80-W109 AromaticContact CH2-CH2 3.52Å; W80-W109 HydrophobicContact CH2-CH2 3.52Å; W80-W109 AromaticContact CH2-CZ2 3.87Å; W80-W109 HydrophobicContact CH2-CZ2 3.87Å; W80-W109 HydrophobicContact CH2-CZ3 4.23Å; W80-W109 AromaticContact CZ3-CH2 3.34Å; W80-W109 HydrophobicContact CZ3-CH2 3.34Å; W80-W109 HydrophobicContact CZ3-CZ2 4.16Å; W80-W109 AromaticContact CZ3-CZ3 3.87Å; W80-W109 HydrophobicContact CZ3-CZ3 3.87Å; L87-W109 HydrophobicContact CB-CZ3 4.45Å; W99-W109 HydrophobicContact CB-CE3 4.11Å; S100-W109 WeakPolarHBondContact O-CA 3.42Å; M101-W109 HydrophobicContact CE-CH2 3.53Å; M101-W109 HydrophobicContact CE-CZ2 3.54Å; M101-W109 HydrophobicContact CG-CD2 4.28Å; M101-W109 HydrophobicContact CG-CE3 4.24Å; M101-W109 HydrophobicContact CG-CH2 3.3Å; M101-W109 HydrophobicContact CG-CZ2 3.41Å; M101-W109 VanDerWaalsContact CG-CZ2 3.41Å; M101-W109 HydrophobicContact CG-CZ3 3.78Å; M101-W109 HydrophobicContact SD-CH2 4.28Å; M101-W109 HydrophobicContact SD-CZ2 4.34Å; V106-W109 PolarHBondContact O-NE1 3.03Å
110	E	93.7	Very high	91.3	Very high	107 Å²	107	45.8 Å²	45.8	50%	0.5	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151	174.1	72.6	-160.7	136.7	0	0	110.5	W99 S100 S102	W99-E110 CarbonylContact C-O 3.49Å; W99-E110 WeakPolarHBondContact CA-O 3.38Å; S100-E110 PolarHBondContact N-O 2.82Å; S100-E110 PolarHBondContact O-N 3.27Å; S100-E110 VanDerWaalsContact O-N 3.1Å; S102-E110 WeakPolarHBondContact CB-OE1 3.34Å; S102-E110 WeakPolarHBondContact OG-CB 3.02Å; S102-E110 WeakPolarHBondContact OG-CG 3.29Å; S102-E110 PolarHBondContact OG-N 3.35Å; S102-E110 PolarHBondContact OG-OE1 3.36Å
111	S	91.8	Very high	91.3	Very high	39 Å²	39	46 Å²	46	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.5	167.4	-172.9	0	0	0	0	109	C98	C98-S111 WeakPolarHBondContact O-CA 3.47Å; C98-S111 PolarHBondContact O-OG 2.81Å
112	A	80.7	Confident	91.5	Very high	82 Å²	82	45.3 Å²	45.3	68%	0.678	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	-17.9	175.9	0	0	0	0	0	112.6
113	L	91.3	Very high	91.7	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.7	-169.1	-62.2	176.6	0	0	0	110.3	C98 W170 L184 G188 L190	C98-L113 HydrophobicContact CB-CB 4.12Å; C98-L113 PolarHBondContact N-O 3.39Å; L113-W170 HydrophobicContact CB-CH2 4.24Å; L113-L184 HydrophobicContact CD1-CD2 3.25Å; L113-G188 WeakPolarHBondContact CD2-O 3.37Å; L113-L190 HydrophobicContact CB-CD1 4.22Å; L113-L190 HydrophobicContact CD1-CD2 4.5Å; L113-L190 HydrophobicContact CD2-CD1 4.41Å; L113-L190 HydrophobicContact CD2-CG 4.22Å
114	S	93.3	Very high	92.1	Very high	61 Å²	61	41.7 Å²	41.7	43%	0.427	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.6	175.6	60.8	0	0	0	0	111.2	I96 L190	I96-S114 CarbonylContact O-C 3.57Å; I96-S114 WeakPolarHBondContact O-CA 3.17Å; I96-S114 VanDerWaalsContact O-CB 3.22Å; I96-S114 WeakPolarHBondContact O-CB 3.43Å; S114-L190 WeakPolarHBondContact O-CD1 3.42Å
115	S	94.4	Very high	92.4	Very high	12 Å²	12	39.2 Å²	39.2	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.9	166.3	52.3	0	0	0	0	109.5	I96 W170 S182	I96-S115 PolarHBondContact N-O 2.88Å; I96-S115 PolarHBondContact O-N 2.83Å; I96-S115 VanDerWaalsContact O-O 3.09Å; S115-W170 PolarHBondContact OG-NE1 3.07Å; S115-S182 WeakPolarHBondContact CB-OG 3.4Å; S115-S182 PolarHBondContact OG-OG 3.05Å
116	S	93.4	Very high	92.6	Very high	69 Å²	69	39.4 Å²	39.4	48%	0.483	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.4	177.9	59.5	0	0	0	0	111.4	G94 D118	G94-S116 CarbonylContact O-C 3.56Å; G94-S116 WeakPolarHBondContact O-CA 3.31Å; S116-D118 PolarHBondContact OG-OD1 3.16Å
117	V	90.8	Very high	92.8	Very high	18 Å²	18	39.3 Å²	39.3	11%	0.109	25%	0.25	C	C	.	.			trans	-124.2	103.6	162.2	-173.1	0	0	0	0	106	G94 G119 D120 T174 L178 T180	G94-V117 WeakPolarHBondContact CA-O 3.33Å; G94-V117 PolarHBondContact O-N 2.7Å; V117-G119 PolarHBondContact O-N 2.98Å; V117-G119 VanDerWaalsContact O-N 3.13Å; V117-D120 HydrophobicContact CB-CB 4.43Å; V117-D120 HydrophobicContact CG1-CB 3.85Å; V117-D120 PolarHBondContact O-N 2.83Å; V117-D120 VanDerWaalsContact O-N 3.16Å; V117-T174 HydrophobicContact CB-CG2 4.32Å; V117-T174 HydrophobicContact CG1-CG2 4.25Å; V117-T174 HydrophobicContact CG2-CG2 4.29Å; V117-L178 HydrophobicContact CG1-CD1 3.95Å; V117-T180 HydrophobicContact CG2-CG2 3.7Å
118	D	87.5	Confident	93.1	Very high	146 Å²	146	38.8 Å²	38.8	78%	0.781	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	116.8	-164.5	-60.2	-19.7	0	0	0	112.7	S116 D120	S116-D118 PolarHBondContact OG-OD1 3.16Å; D118-D120 PolarHBondContact O-N 3.33Å
119	G	86.6	Confident	93.3	Very high	54 Å²	54	38 Å²	38	56%	0.557	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	15.3	175	0	0	0	0	0	115.1	D93 V117 P121	D93-G119 PolarHBondContact O-N 2.7Å; V117-G119 PolarHBondContact O-N 2.98Å; V117-G119 VanDerWaalsContact O-N 3.13Å; G119-P121 WeakPolarHBondContact O-CD 3.49Å
120	D	92.4	Very high	93.3	Very high	16 Å²	16	39.7 Å²	39.7	9%	0.086	25%	0.251	C	S	.	.			trans	-115.9	97.2	-179.6	-162.5	1.3	0	0	0	111	G94 V117 D118 T174 V175 S176	G94-D120 WeakPolarHBondContact CA-O 3.5Å; V117-D120 HydrophobicContact CB-CB 4.43Å; V117-D120 HydrophobicContact CG1-CB 3.85Å; V117-D120 PolarHBondContact O-N 2.83Å; V117-D120 VanDerWaalsContact O-N 3.16Å; D118-D120 PolarHBondContact O-N 3.33Å; D120-T174 HydrophobicContact CB-CG2 4.34Å; D120-T174 WeakPolarHBondContact OD1-CB 3.47Å; D120-T174 PolarHBondContact OD1-OG1 3.18Å; D120-T174 VanDerWaalsContact OD2-CB 3.25Å; D120-T174 WeakPolarHBondContact OD2-CB 3.33Å; D120-T174 PolarHBondContact OD2-OG1 2.83Å; D120-V175 WeakPolarHBondContact OD1-CG2 3.47Å; D120-S176 PolarHBondContact OD1-N 3.45Å; D120-S176 VanDerWaalsContact OD1-N 3.12Å; D120-S176 WeakPolarHBondContact OD2-CB 3.16Å; D120-S176 PolarHBondContact OD2-OG 3.06Å
121	P	94.3	Very high	93.2	Very high	40 Å²	40	35.3 Å²	35.3	26%	0.26	23%	0.234	S	C	.	.			trans	-51.7	138.1	-173.4	-17.2	11.1	0	0	0	114.3	G92 G119 T174 V175	G92-P121 WeakPolarHBondContact O-CA 3.3Å; G92-P121 WeakPolarHBondContact O-CB 3.5Å; G92-P121 WeakPolarHBondContact O-CG 3.32Å; G119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-T174 CarbonylContact O-C 3.55Å; P121-T174 WeakPolarHBondContact O-CA 3.43Å; P121-V175 HydrophobicContact CB-CG1 3.77Å; P121-V175 HydrophobicContact CB-CG2 4.04Å; P121-V175 VanDerWaalsContact CD-CG2 3.49Å; P121-V175 HydrophobicContact CG-CG1 4.06Å; P121-V175 HydrophobicContact CG-CG2 3.61Å; P121-V175 PolarHBondContact O-N 3.29Å
122	I	96.3	Very high	93.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.9	175.3	-55.2	-48.7	0	0	0	110.4	S76 A90 D91 I96 A124 A172 T174	S76-I122 WeakPolarHBondContact CB-O 3.41Å; S76-I122 PolarHBondContact OG-O 3.35Å; A90-I122 HydrophobicContact CB-CB 3.72Å; A90-I122 HydrophobicContact CB-CG1 3.81Å; A90-I122 HydrophobicContact CB-CG2 3.78Å; D91-I122 PolarHBondContact O-N 3.45Å; I96-I122 HydrophobicContact CD1-CD1 4.28Å; I96-I122 HydrophobicContact CD1-CG1 4.36Å; I96-I122 HydrophobicContact CG1-CD1 4.41Å; I96-I122 HydrophobicContact CG1-CG1 4Å; I122-A124 WeakPolarHBondContact CG2-O 3.49Å; I122-A172 HydrophobicContact CD1-CB 4.19Å; I122-A172 HydrophobicContact CG2-CB 3.95Å; I122-T174 HydrophobicContact CD1-CG2 3.83Å
123	V	95.4	Very high	93.6	Very high	35 Å²	35	34.8 Å²	34.8	21%	0.212	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-20	178.4	-68.7	0	0	0	0	114.3	V173 V175 V204 A207	V123-V173 HydrophobicContact CG2-CB 4.31Å; V123-V173 HydrophobicContact CG2-CG1 4.14Å; V123-V173 VanDerWaalsContact CG2-O 3.29Å; V123-V173 WeakPolarHBondContact CG2-O 3.15Å; V123-V173 PolarHBondContact N-O 2.66Å; V123-V175 HydrophobicContact CG1-CB 4.48Å; V123-V175 HydrophobicContact CG1-CG1 3.38Å; V123-V204 HydrophobicContact CG2-CG1 4.01Å; V123-A207 HydrophobicContact CG2-CB 4.08Å
124	A	97.3	Very high	93.6	Very high	6 Å²	6	34.6 Å²	34.6	5%	0.05	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	146.3	171.3	0	0	0	0	0	110.6	I122 A172 V173 A207 I209	I122-A124 WeakPolarHBondContact CG2-O 3.49Å; A124-A172 CarbonylContact O-C 3.53Å; A124-A172 VanDerWaalsContact O-CA 3.23Å; A124-A172 WeakPolarHBondContact O-CA 3.37Å; A124-V173 HydrophobicContact CB-CB 4.16Å; A124-V173 HydrophobicContact CB-CG2 4.3Å; A124-V173 PolarHBondContact N-O 3.31Å; A124-V173 PolarHBondContact O-N 3.32Å; A124-A207 HydrophobicContact CB-CB 3.76Å; A124-I209 HydrophobicContact CB-CD1 3.95Å; A124-I209 HydrophobicContact CB-CG1 4.19Å
125	L	97.8	Very high	93.6	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.052	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.5	-176.8	-174.1	60.4	0	0	0	108.8	C77 E79 L88 A90 I96 A172	C77-L125 HydrophobicContact CB-CB 3.76Å; C77-L125 HydrophobicContact CB-CD2 3.9Å; E79-L125 WeakPolarHBondContact CG-O 3.41Å; L88-L125 HydrophobicContact CB-CD2 3.51Å; L88-L125 HydrophobicContact CB-CG 4.17Å; L88-L125 HydrophobicContact CD1-CD1 4.18Å; L88-L125 HydrophobicContact CD1-CD2 4.32Å; L88-L125 HydrophobicContact CD1-CG 4.06Å; A90-L125 HydrophobicContact CB-CD2 3.95Å; I96-L125 HydrophobicContact CD1-CD1 4.38Å; I96-L125 HydrophobicContact CG2-CD1 4.09Å; L125-A172 HydrophobicContact CD1-CB 3.78Å
126	S	97.6	Very high	93.6	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	144.1	174.2	-156.6	0	0	0	0	111.7	W170 L171 R279	S126-W170 CarbonylContact O-C 3.56Å; S126-W170 VanDerWaalsContact O-CA 3.29Å; S126-W170 WeakPolarHBondContact O-CA 3.4Å; S126-W170 WeakPolarHBondContact O-CB 3.48Å; S126-L171 PolarHBondContact N-O 2.7Å; S126-L171 PolarHBondContact O-N 3.18Å; S126-R279 PolarHBondContact OG-NE 3.32Å; S126-R279 PolarHBondContact OG-NH2 3.42Å; S126-R279 VanDerWaalsContact OG-NH2 3.13Å
127	W	97.4	Very high	93.8	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.045	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148.7	164.8	-64.5	88	0	0	0	110.7	E79 W80 D81 R86 L88 W170 L184 F211 R279	E79-W127 PolarHBondContact O-NE1 2.92Å; E79-W127 VanDerWaalsContact O-NE1 3.12Å; W80-W127 VanDerWaalsContact O-CD1 3.31Å; D81-W127 HydrophobicContact CB-CD2 3.83Å; D81-W127 VanDerWaalsContact CB-CE2 3.49Å; D81-W127 HydrophobicContact CB-CE3 4.4Å; D81-W127 HydrophobicContact CB-CG 4.19Å; D81-W127 HydrophobicContact CB-CH2 4.37Å; D81-W127 HydrophobicContact CB-CZ2 3.78Å; R86-W127 HydrophobicContact CB-CH2 3.79Å; R86-W127 HydrophobicContact CB-CZ2 3.65Å; R86-W127 HydrophobicContact CG-CH2 4.49Å; L88-W127 HydrophobicContact CD1-CD2 3.78Å; L88-W127 VanDerWaalsContact CD1-CE2 3.47Å; L88-W127 HydrophobicContact CD1-CE3 4.45Å; L88-W127 HydrophobicContact CD1-CG 4.01Å; L88-W127 HydrophobicContact CD1-CZ2 3.94Å; L88-W127 HydrophobicContact CD2-CH2 4.02Å; L88-W127 HydrophobicContact CD2-CZ2 3.73Å; L88-W127 HydrophobicContact CG-CD2 4.24Å; L88-W127 VanDerWaalsContact CG-CE2 3.45Å; L88-W127 HydrophobicContact CG-CH2 4.2Å; L88-W127 HydrophobicContact CG-CZ2 3.44Å; L88-W127 VanDerWaalsContact CG-CZ2 3.44Å; W127-W170 HydrophobicContact CH2-CE3 4.48Å; W127-W170 HydrophobicContact CZ3-CE3 4.08Å; W127-L184 HydrophobicContact CZ3-CD1 4.14Å; W127-F211 VanDerWaalsContact O-CZ 3.23Å; W127-F211 WeakPolarHBondContact O-CZ 3.38Å; W127-R279 PolarHBondContact O-NH2 3Å
128	L	97	Very high	93.9	Very high	16 Å²	16	29.4 Å²	29.4	8%	0.084	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-63.7	145.1	168.7	-65.3	-178.5	0	0	0	110.5	G169 L171 L183 I217	L128-G169 PolarHBondContact N-O 3.3Å; L128-L171 HydrophobicContact CD2-CB 4.42Å; L128-L183 HydrophobicContact CD1-CD2 3.42Å; L128-L183 VanDerWaalsContact CD1-CD2 3.42Å; L128-I217 HydrophobicContact CD2-CD1 3.56Å
129	H	95.4	Very high	94.2	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.046	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-79.4	134	-179.1	-162.4	-86	0	0	0	110.7	G131 V132 F155 P157 S158 F211 E280	H129-G131 PolarHBondContact ND1-N 2.85Å; H129-V132 PolarHBondContact CE1-O 2.94Å; H129-F155 HydrophobicContact CB-CE1 4.36Å; H129-F155 AromaticContact CE1-CD1 3.25Å; H129-F155 WeakPolarHBondContact CE1-CD1 3.45Å; H129-F155 AromaticContact CE1-CE1 3.34Å; H129-F155 WeakPolarHBondContact CE1-CE1 3.3Å; H129-F155 AromaticContact CE1-CG 3.97Å; H129-F155 AromaticContact CG-CE1 3.61Å; H129-F155 AromaticContact ND1-CD1 3.22Å; H129-F155 WeakPolarHBondContact ND1-CD1 3.32Å; H129-F155 AromaticContact ND1-CE1 3.13Å; H129-F155 WeakPolarHBondContact ND1-CE1 3.49Å; H129-F155 AromaticContact NE2-CE1 3.87Å; H129-P157 CarbonylContact O-C 3.56Å; H129-P157 VanDerWaalsContact O-CA 3.25Å; H129-P157 WeakPolarHBondContact O-CA 3.5Å; H129-S158 WeakPolarHBondContact CB-OG 3.42Å; H129-S158 PolarHBondContact N-OG 3.05Å; H129-S158 PolarHBondContact O-N 3.15Å; H129-F211 HydrophobicContact CB-CB 4.38Å; H129-F211 HydrophobicContact CB-CD1 3.54Å; H129-F211 HydrophobicContact CB-CD2 4.38Å; H129-F211 HydrophobicContact CB-CE1 3.84Å; H129-F211 HydrophobicContact CB-CG 3.83Å; H129-F211 HydrophobicContact CB-CZ 4.42Å; H129-E280 IonicContact NE2-OE1 2.75Å
130	N	94.2	Very high	94.6	Very high	54 Å²	54	26.8 Å²	26.8	29%	0.289	15%	0.146	S	C	.	.			trans	-91.3	3.5	-176	73.7	-12	0	0	0	114.5	Q82 V132 P157 P166	Q82-N130 PolarHBondContact OE1-ND2 3.01Å; Q82-N130 PolarHBondContact OE1-OD1 3.36Å; Q82-N130 VanDerWaalsContact OE1-OD1 3.04Å; N130-V132 WeakPolarHBondContact OD1-CB 3.4Å; N130-V132 PolarHBondContact OD1-N 3.35Å; N130-P157 WeakPolarHBondContact O-CG 3.22Å; N130-P166 HydrophobicContact CB-CB 3.89Å; N130-P166 HydrophobicContact CB-CG 4.05Å
131	G	92.5	Very high	94.5	Very high	15 Å²	15	27.1 Å²	27.1	16%	0.155	15%	0.15	C	C	.	.	S	Bend	trans	87.4	0.4	-179.8	0	0	0	0	0	115.2	H129	H129-G131 PolarHBondContact ND1-N 2.85Å
132	V	90.7	Very high	94.2	Very high	65 Å²	65	28.3 Å²	28.3	39%	0.394	17%	0.169	S	C	.	.			trans	-92.3	112.7	177.9	-178.9	0	0	0	0	110	Q82 H129 N130	Q82-V132 PolarHBondContact NE2-O 2.88Å; H129-V132 PolarHBondContact CE1-O 2.94Å; N130-V132 WeakPolarHBondContact OD1-CB 3.4Å; N130-V132 PolarHBondContact OD1-N 3.35Å
133	K	91.2	Very high	94.1	Very high	45 Å²	45	29.4 Å²	29.4	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.4	170.8	177.5	167.4	-171.8	176.2	0	110.6	R152 V153 F155 E280	K133-R152 WeakPolarHBondContact O-CA 3.15Å; K133-V153 HydrophobicContact CB-CB 4.28Å; K133-V153 HydrophobicContact CD-CB 4.02Å; K133-V153 HydrophobicContact CD-CG1 4.2Å; K133-V153 HydrophobicContact CG-CB 3.87Å; K133-V153 HydrophobicContact CG-CG2 4.24Å; K133-V153 PolarHBondContact O-N 3.44Å; K133-F155 HydrophobicContact CB-CB 3.79Å; K133-F155 HydrophobicContact CB-CD2 3.99Å; K133-F155 HydrophobicContact CB-CG 4.03Å; K133-F155 HydrophobicContact CD-CD2 3.48Å; K133-F155 VanDerWaalsContact CD-CD2 3.48Å; K133-F155 HydrophobicContact CD-CE2 3.97Å; K133-F155 HydrophobicContact CD-CG 4.36Å; K133-F155 HydrophobicContact CG-CD2 4.38Å; K133-E280 HydrophobicContact CD-CB 3.94Å; K133-E280 HydrophobicContact CD-CG 4.37Å; K133-E280 WeakPolarHBondContact CD-OE2 3.47Å; K133-E280 WeakPolarHBondContact CE-OE2 3.23Å; K133-E280 WeakPolarHBondContact CG-OE2 3.48Å; K133-E280 PolarHBondContact NZ-O 2.66Å
134	L	90.4	Very high	93.9	Very high	36 Å²	36	30.9 Å²	30.9	19%	0.188	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.1	174.5	-69	172.6	0	0	0	109.6	S151 R152 P351 T474	L134-S151 WeakPolarHBondContact CA-O 3.42Å; L134-R152 HydrophobicContact CD2-CB 4.47Å; L134-R152 HydrophobicContact CD2-CG 3.62Å; L134-P351 WeakPolarHBondContact O-CB 3.19Å; L134-P351 VanDerWaalsContact O-CG 3.24Å; L134-P351 WeakPolarHBondContact O-CG 3.44Å; L134-T474 HydrophobicContact CD1-CG2 3.6Å
135	A	92.9	Very high	93.7	Very high	11 Å²	11	33.5 Å²	33.5	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.8	168.7	0	0	0	0	0	110	F150 S151 V153	A135-F150 WeakPolarHBondContact O-CA 3.28Å; A135-S151 PolarHBondContact N-O 2.88Å; A135-S151 PolarHBondContact O-N 3.43Å; A135-S151 VanDerWaalsContact O-N 3.1Å; A135-V153 HydrophobicContact CB-CG2 3.51Å
136	L	95.3	Very high	93.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.1	169.9	179.9	160.8	0	0	0	108.6	V138 F150 L350 P351 I352 S353 F466 Y470	L136-V138 HydrophobicContact CD2-CG2 3.62Å; L136-F150 HydrophobicContact CD1-CE1 4.27Å; L136-F150 HydrophobicContact CG-CD1 4.28Å; L136-F150 HydrophobicContact CG-CE1 4.19Å; L136-L350 HydrophobicContact CD1-CD1 3.94Å; L136-L350 HydrophobicContact CD1-CD2 4.27Å; L136-L350 HydrophobicContact CD1-CG 4.24Å; L136-P351 PolarHBondContact N-O 3.17Å; L136-I352 HydrophobicContact CD2-CG1 4.25Å; L136-S353 PolarHBondContact O-N 3.15Å; L136-F466 HydrophobicContact CD1-CE1 4.24Å; L136-F466 HydrophobicContact CD1-CZ 4.36Å; L136-F466 HydrophobicContact CD2-CE1 3.4Å; L136-F466 VanDerWaalsContact CD2-CE1 3.4Å; L136-F466 HydrophobicContact CD2-CZ 3.55Å; L136-F466 HydrophobicContact CG-CE1 3.98Å; L136-F466 HydrophobicContact CG-CZ 3.79Å; L136-Y470 HydrophobicContact CB-CE2 4.48Å; L136-Y470 HydrophobicContact CD1-CD2 3.85Å; L136-Y470 HydrophobicContact CD1-CE2 4.32Å; L136-Y470 HydrophobicContact CD1-CG 4Å
137	H	96	Very high	93.4	Very high	39 Å²	39	35.1 Å²	35.1	18%	0.181	22%	0.218	C	C	.	.			trans	-98.7	103.1	-177.8	-62	-62.4	0	0	0	109.7	E139 M140 E148 K149 S151 D358 F466	H137-E139 VanDerWaalsContact C-N 3.26Å; H137-E139 PolarHBondContact O-N 3.43Å; H137-M140 HydrophobicContact CB-CB 4.13Å; H137-M140 HydrophobicContact CB-CG 4.04Å; H137-M140 PolarHBondContact O-N 3.11Å; H137-E148 PolarHBondContact CD2-O 3.26Å; H137-K149 PolarHBondContact N-O 2.86Å; H137-S151 PolarHBondContact NE2-OG 3.3Å; H137-D358 WeakPolarHBondContact CA-OD1 3.28Å; H137-F466 WeakPolarHBondContact O-CZ 3.24Å
138	V	94.5	Very high	93.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-69	-31.8	-176.5	-177	0	0	0	0	110.4	L136 M140 S141 I352 D358 V361 A362 F367	L136-V138 HydrophobicContact CD2-CG2 3.62Å; V138-M140 PolarHBondContact O-N 3.39Å; V138-S141 WeakPolarHBondContact O-CB 3.38Å; V138-S141 PolarHBondContact O-N 3.18Å; V138-S141 PolarHBondContact O-OG 3.44Å; V138-I352 HydrophobicContact CG2-CD1 4.28Å; V138-I352 HydrophobicContact CG2-CG2 3.98Å; V138-D358 PolarHBondContact N-OD1 3.36Å; V138-V361 HydrophobicContact CG1-CG1 4.33Å; V138-A362 HydrophobicContact CG1-CB 4.01Å; V138-F367 HydrophobicContact CG1-CB 4.29Å; V138-F367 HydrophobicContact CG1-CD1 3.92Å; V138-F367 HydrophobicContact CG1-CG 4.26Å; V138-F367 HydrophobicContact CG2-CD1 3.86Å; V138-F367 HydrophobicContact CG2-CE1 3.93Å
139	E	94.2	Very high	93.2	Very high	72 Å²	72	38.2 Å²	38.2	34%	0.336	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-59.7	-30.5	174.6	72	-178.5	-169.6	0	0	112.9	H137 S141 T357 D358 V361	H137-E139 VanDerWaalsContact C-N 3.26Å; H137-E139 PolarHBondContact O-N 3.43Å; E139-S141 VanDerWaalsContact C-N 3.33Å; E139-T357 WeakPolarHBondContact OE2-CB 3.3Å; E139-T357 PolarHBondContact OE2-OG1 2.92Å; E139-D358 PolarHBondContact N-OD1 2.56Å; E139-V361 HydrophobicContact CB-CB 4.45Å; E139-V361 HydrophobicContact CB-CG2 3.99Å
140	M	94.3	Very high	93.1	Very high	74 Å²	74	38.4 Å²	38.4	37%	0.365	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-90.2	8.5	178.6	-60.6	-58.3	178.3	0	0	113.1	H137 V138 G142 S143 K149	H137-M140 HydrophobicContact CB-CB 4.13Å; H137-M140 HydrophobicContact CB-CG 4.04Å; H137-M140 PolarHBondContact O-N 3.11Å; V138-M140 PolarHBondContact O-N 3.39Å; M140-G142 PolarHBondContact O-N 2.97Å; M140-G142 VanDerWaalsContact O-N 3.08Å; M140-S143 VanDerWaalsContact O-CB 3.26Å; M140-S143 WeakPolarHBondContact O-CB 3.38Å; M140-S143 PolarHBondContact O-N 3.21Å; M140-K149 WeakPolarHBondContact O-CG 3.48Å
141	S	90.1	Very high	93.1	Very high	23 Å²	23	37.5 Å²	37.5	16%	0.161	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.4	-179.1	57.5	0	0	0	0	114.2	V138 E139	V138-S141 WeakPolarHBondContact O-CB 3.38Å; V138-S141 PolarHBondContact O-N 3.18Å; V138-S141 PolarHBondContact O-OG 3.44Å; E139-S141 VanDerWaalsContact C-N 3.33Å
142	G	88.7	Confident	93.1	Very high	65 Å²	65	47.1 Å²	47.1	67%	0.67	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-88.1	-7.4	174	0	0	0	0	0	115.4	M140	M140-G142 PolarHBondContact O-N 2.97Å; M140-G142 VanDerWaalsContact O-N 3.08Å
143	S	92.5	Very high	93.1	Very high	24 Å²	24	46.8 Å²	46.8	17%	0.168	26%	0.261	C	S	.	.			trans	-64.3	154.1	172.6	178.4	0	0	0	0	109.8	M140 N145 E148 K149	M140-S143 VanDerWaalsContact O-CB 3.26Å; M140-S143 WeakPolarHBondContact O-CB 3.38Å; M140-S143 PolarHBondContact O-N 3.21Å; S143-N145 PolarHBondContact OG-N 3.29Å; S143-E148 WeakPolarHBondContact CB-OE2 3.38Å; S143-E148 PolarHBondContact OG-OE2 3.3Å; S143-K149 WeakPolarHBondContact O-CE 3.22Å; S143-K149 PolarHBondContact O-NZ 3.03Å
144	T	91.9	Very high	93.1	Very high	66 Å²	66	53.8 Å²	53.8	41%	0.405	29%	0.291	S	S	.	.	S	Bend	trans	-89.8	-21.8	169.4	55	0	0	0	0	111.1	E500 Q504	T144-E500 WeakPolarHBondContact CA-OE2 3.37Å; T144-Q504 PolarHBondContact O-NE2 3.46Å
145	N	93.9	Very high	93.3	Very high	61 Å²	61	53 Å²	53	33%	0.326	29%	0.286	S	S	.	.			trans	-85.4	120	-175.5	-178.3	-0.5	0	0	0	111.8	S143 G147 E148 K149	S143-N145 PolarHBondContact OG-N 3.29Å; N145-G147 PolarHBondContact O-N 3.22Å; N145-G147 PolarHBondContact OD1-N 3.26Å; N145-E148 HydrophobicContact CB-CB 4.5Å; N145-E148 HydrophobicContact CB-CG 4.19Å; N145-E148 PolarHBondContact ND2-OE1 3.48Å; N145-E148 PolarHBondContact O-N 3.34Å; N145-E148 VanDerWaalsContact O-N 3.16Å; N145-K149 PolarHBondContact O-N 2.87Å
146	F	95.1	Very high	93.4	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-27.9	179.5	-66.8	-11.2	0	0	0	113.3	E148 K149 F150 E469 M472 V473 E500 Q504 L508 L512	F146-E148 PolarHBondContact O-N 3.48Å; F146-K149 HydrophobicContact CD1-CD 4.27Å; F146-K149 PolarHBondContact O-N 3.09Å; F146-F150 HydrophobicContact CB-CD2 4.19Å; F146-F150 HydrophobicContact CB-CE2 4.41Å; F146-F150 HydrophobicContact CD1-CE2 4.43Å; F146-F150 HydrophobicContact CG-CE2 4.45Å; F146-F150 WeakPolarHBondContact O-CD2 3.35Å; F146-F150 PolarHBondContact O-N 3.32Å; F146-E469 HydrophobicContact CE1-CB 4.2Å; F146-E469 HydrophobicContact CE1-CG 3.74Å; F146-E469 HydrophobicContact CZ-CB 4.43Å; F146-E469 HydrophobicContact CZ-CG 3.96Å; F146-M472 HydrophobicContact CE2-CE 3.5Å; F146-M472 VanDerWaalsContact CE2-CE 3.5Å; F146-M472 HydrophobicContact CZ-CE 3.79Å; F146-V473 HydrophobicContact CB-CG2 4.23Å; F146-V473 HydrophobicContact CD2-CG2 3.76Å; F146-V473 HydrophobicContact CE2-CG2 4.47Å; F146-V473 HydrophobicContact CG-CG2 4.19Å; F146-E500 HydrophobicContact CE1-CB 4.18Å; F146-E500 HydrophobicContact CZ-CB 4.28Å; F146-Q504 HydrophobicContact CD2-CG 3.71Å; F146-Q504 HydrophobicContact CE2-CG 3.68Å; F146-Q504 HydrophobicContact CG-CG 4.19Å; F146-Q504 HydrophobicContact CZ-CG 4.16Å; F146-L508 HydrophobicContact CB-CD2 4.06Å; F146-L508 HydrophobicContact CD2-CD2 3.97Å; F146-L508 HydrophobicContact CG-CD2 4.45Å; F146-L512 HydrophobicContact CD2-CD1 4.01Å; F146-L512 HydrophobicContact CE2-CD1 3.98Å
147	G	93.3	Very high	93.4	Very high	45 Å²	45	56.2 Å²	56.2	46%	0.464	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-23.2	177.6	0	0	0	0	0	114	N145	N145-G147 PolarHBondContact O-N 3.22Å; N145-G147 PolarHBondContact OD1-N 3.26Å
148	E	93.7	Very high	93.4	Very high	90 Å²	90	55 Å²	55	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-83.3	-38	174.7	-69	166.3	-155.8	0	0	111.1	H137 S143 N145 F146	H137-E148 PolarHBondContact CD2-O 3.26Å; S143-E148 WeakPolarHBondContact CB-OE2 3.38Å; S143-E148 PolarHBondContact OG-OE2 3.3Å; N145-E148 HydrophobicContact CB-CB 4.5Å; N145-E148 HydrophobicContact CB-CG 4.19Å; N145-E148 PolarHBondContact ND2-OE1 3.48Å; N145-E148 PolarHBondContact O-N 3.34Å; N145-E148 VanDerWaalsContact O-N 3.16Å; F146-E148 PolarHBondContact O-N 3.48Å
149	K	95.6	Very high	93.5	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-44.2	175.2	-67.9	-175.4	-166.2	-169.2	0	112.7	H137 M140 S143 N145 F146 F466 E469 E500	H137-K149 PolarHBondContact N-O 2.86Å; M140-K149 WeakPolarHBondContact O-CG 3.48Å; S143-K149 WeakPolarHBondContact O-CE 3.22Å; S143-K149 PolarHBondContact O-NZ 3.03Å; N145-K149 PolarHBondContact O-N 2.87Å; F146-K149 HydrophobicContact CD1-CD 4.27Å; F146-K149 PolarHBondContact O-N 3.09Å; K149-F466 HydrophobicContact CB-CE2 3.96Å; K149-F466 HydrophobicContact CD-CD2 4Å; K149-F466 HydrophobicContact CD-CE2 3.86Å; K149-F466 HydrophobicContact CG-CE2 3.98Å; K149-E469 WeakPolarHBondContact CD-OE2 3.36Å; K149-E469 WeakPolarHBondContact CE-OE2 3.48Å; K149-E469 VanDerWaalsContact NZ-CD 3.3Å; K149-E469 IonicContact NZ-OE1 3.29Å; K149-E469 PolarHBondContact NZ-OE1 2.98Å; K149-E469 VanDerWaalsContact NZ-OE1 3.16Å; K149-E469 IonicContact NZ-OE2 3.4Å; K149-E469 PolarHBondContact NZ-OE2 3.43Å; K149-E500 IonicContact NZ-OE2 3.96Å
150	F	95.2	Very high	93.4	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.7	-170.3	-40	-59.1	0	0	0	109.6	A135 L136 F146 F466 E469 Y470 V473	A135-F150 WeakPolarHBondContact O-CA 3.28Å; L136-F150 HydrophobicContact CD1-CE1 4.27Å; L136-F150 HydrophobicContact CG-CD1 4.28Å; L136-F150 HydrophobicContact CG-CE1 4.19Å; F146-F150 HydrophobicContact CB-CD2 4.19Å; F146-F150 HydrophobicContact CB-CE2 4.41Å; F146-F150 HydrophobicContact CD1-CE2 4.43Å; F146-F150 HydrophobicContact CG-CE2 4.45Å; F146-F150 WeakPolarHBondContact O-CD2 3.35Å; F146-F150 PolarHBondContact O-N 3.32Å; F150-F466 HydrophobicContact CE1-CD2 4.12Å; F150-F466 AromaticContact CE1-CE2 3.6Å; F150-F466 HydrophobicContact CE1-CE2 3.6Å; F150-F466 HydrophobicContact CE1-CZ 4.14Å; F150-F466 HydrophobicContact CZ-CD2 4.01Å; F150-F466 AromaticContact CZ-CE2 3.86Å; F150-F466 HydrophobicContact CZ-CE2 3.86Å; F150-E469 HydrophobicContact CE2-CB 3.89Å; F150-E469 HydrophobicContact CZ-CB 3.84Å; F150-Y470 AromaticContact CD1-CD2 3.71Å; F150-Y470 HydrophobicContact CD1-CD2 3.71Å; F150-Y470 AromaticContact CE1-CD2 3.89Å; F150-Y470 HydrophobicContact CE1-CD2 3.89Å; F150-Y470 HydrophobicContact CE1-CG 4.29Å; F150-Y470 HydrophobicContact CG-CD2 4.38Å; F150-V473 HydrophobicContact CD2-CB 4.18Å; F150-V473 HydrophobicContact CD2-CG1 4.32Å; F150-V473 HydrophobicContact CD2-CG2 3.91Å; F150-V473 HydrophobicContact CE2-CG2 4.15Å
151	S	93.4	Very high	93.1	Very high	34 Å²	34	55.4 Å²	55.4	24%	0.238	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.9	-175.5	66.9	0	0	0	0	111.4	L134 A135 H137 V153	L134-S151 WeakPolarHBondContact CA-O 3.42Å; A135-S151 PolarHBondContact N-O 2.88Å; A135-S151 PolarHBondContact O-N 3.43Å; A135-S151 VanDerWaalsContact O-N 3.1Å; H137-S151 PolarHBondContact NE2-OG 3.3Å; S151-V153 PolarHBondContact O-N 2.79Å
152	R	91.6	Very high	92.7	Very high	218 Å²	218	64.4 Å²	64.4	82%	0.823	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.5	168.7	-73.1	-177.6	-179.6	-178.6	1.5	108.7	K133 L134	K133-R152 WeakPolarHBondContact O-CA 3.15Å; L134-R152 HydrophobicContact CD2-CB 4.47Å; L134-R152 HydrophobicContact CD2-CG 3.62Å
153	V	91.5	Very high	92.5	Very high	57 Å²	57	64.7 Å²	64.7	35%	0.345	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.3	173.3	-175.5	0	0	0	0	108	K133 A135 S151 F155	K133-V153 HydrophobicContact CB-CB 4.28Å; K133-V153 HydrophobicContact CD-CB 4.02Å; K133-V153 HydrophobicContact CD-CG1 4.2Å; K133-V153 HydrophobicContact CG-CB 3.87Å; K133-V153 HydrophobicContact CG-CG2 4.24Å; K133-V153 PolarHBondContact O-N 3.44Å; A135-V153 HydrophobicContact CB-CG2 3.51Å; S151-V153 PolarHBondContact O-N 2.79Å; V153-F155 PolarHBondContact O-N 3.42Å; V153-F155 VanDerWaalsContact O-N 3.09Å
154	K	91.8	Very high	92.1	Very high	193 Å²	193	66 Å²	66	84%	0.839	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-57.8	118	174.2	-172.9	179.4	-179.2	178.5	0	109.4
155	F	93.9	Very high	92.1	Very high	19 Å²	19	70 Å²	70	8%	0.083	38%	0.38	C	S	.	.			trans	-148.9	132.6	179.5	-152.6	-79	0	0	0	109	H129 K133 V153 F211 T212 G213 E280	H129-F155 HydrophobicContact CB-CE1 4.36Å; H129-F155 AromaticContact CE1-CD1 3.25Å; H129-F155 WeakPolarHBondContact CE1-CD1 3.45Å; H129-F155 AromaticContact CE1-CE1 3.34Å; H129-F155 WeakPolarHBondContact CE1-CE1 3.3Å; H129-F155 AromaticContact CE1-CG 3.97Å; H129-F155 AromaticContact CG-CE1 3.61Å; H129-F155 AromaticContact ND1-CD1 3.22Å; H129-F155 WeakPolarHBondContact ND1-CD1 3.32Å; H129-F155 AromaticContact ND1-CE1 3.13Å; H129-F155 WeakPolarHBondContact ND1-CE1 3.49Å; H129-F155 AromaticContact NE2-CE1 3.87Å; K133-F155 HydrophobicContact CB-CB 3.79Å; K133-F155 HydrophobicContact CB-CD2 3.99Å; K133-F155 HydrophobicContact CB-CG 4.03Å; K133-F155 HydrophobicContact CD-CD2 3.48Å; K133-F155 VanDerWaalsContact CD-CD2 3.48Å; K133-F155 HydrophobicContact CD-CE2 3.97Å; K133-F155 HydrophobicContact CD-CG 4.36Å; K133-F155 HydrophobicContact CG-CD2 4.38Å; V153-F155 PolarHBondContact O-N 3.42Å; V153-F155 VanDerWaalsContact O-N 3.09Å; F155-F211 HydrophobicContact CE1-CB 4.05Å; F155-F211 HydrophobicContact CZ-CB 3.65Å; F155-T212 WeakPolarHBondContact CE1-O 3.4Å; F155-T212 WeakPolarHBondContact CZ-O 3.49Å; F155-G213 WeakPolarHBondContact CA-O 3.21Å; F155-E280 HydrophobicContact CE2-CB 4Å; F155-E280 HydrophobicContact CZ-CB 4.38Å
156	S	94.6	Very high	92	Very high	49 Å²	49	69.7 Å²	69.7	34%	0.343	38%	0.382	S	S	.	.			trans	-92.6	146.8	178.3	-61.6	0	0	0	0	111.2	G213 G215	S156-G213 PolarHBondContact N-O 2.83Å; S156-G215 VanDerWaalsContact O-CA 3.3Å; S156-G215 WeakPolarHBondContact O-CA 3.47Å
157	P	95.8	Very high	91.9	Very high	29 Å²	29	70.1 Å²	70.1	19%	0.188	38%	0.384	C	S	.	.			trans	-60.2	153.5	168.3	-20	32.2	0	0	0	111.7	H129 N130 L159 T160 P166	H129-P157 CarbonylContact O-C 3.56Å; H129-P157 VanDerWaalsContact O-CA 3.25Å; H129-P157 WeakPolarHBondContact O-CA 3.5Å; N130-P157 WeakPolarHBondContact O-CG 3.22Å; P157-L159 PolarHBondContact O-N 3.2Å; P157-T160 HydrophobicContact CB-CG2 3.82Å; P157-T160 HydrophobicContact CG-CG2 3.67Å; P157-P166 HydrophobicContact CB-CB 3.85Å; P157-P166 HydrophobicContact CG-CB 4.02Å
158	S	96.4	Very high	91.9	Very high	14 Å²	14	72.7 Å²	72.7	10%	0.098	38%	0.384	C	S	.	.	S	Bend	trans	-65.6	-29.8	175	-61.5	0	0	0	0	113.3	H129 F211 G215	H129-S158 WeakPolarHBondContact CB-OG 3.42Å; H129-S158 PolarHBondContact N-OG 3.05Å; H129-S158 PolarHBondContact O-N 3.15Å; S158-F211 VanDerWaalsContact OG-CD1 3.31Å; S158-F211 WeakPolarHBondContact OG-CD1 3.43Å; S158-F211 WeakPolarHBondContact OG-CE1 3.35Å; S158-G215 VanDerWaalsContact CA-O 3.24Å; S158-G215 WeakPolarHBondContact CA-O 3.24Å; S158-G215 PolarHBondContact OG-O 2.95Å
159	L	95.3	Very high	92	Very high	17 Å²	17	68.4 Å²	68.4	9%	0.089	36%	0.364	C	S	.	.	S	Bend	trans	-151.3	138.8	174.5	179.7	62.2	0	0	0	108.4	P157 M167 L183 V237 V239	P157-L159 PolarHBondContact O-N 3.2Å; L159-M167 HydrophobicContact CB-CB 4.15Å; L159-M167 HydrophobicContact CD2-CB 3.93Å; L159-M167 HydrophobicContact CD2-CG 4.11Å; L159-M167 HydrophobicContact CD2-SD 3.39Å; L159-M167 WeakPolarHBondContact CD2-SD 3.4Å; L159-M167 HydrophobicContact CG-CB 3.87Å; L159-M167 HydrophobicContact CG-SD 4.13Å; L159-M167 PolarHBondContact O-N 3.3Å; L159-L183 HydrophobicContact CD2-CD1 3.58Å; L159-L183 HydrophobicContact CD2-CD2 3.81Å; L159-L183 HydrophobicContact CD2-CG 4.35Å; L159-V237 HydrophobicContact CD2-CG1 4.05Å; L159-V239 HydrophobicContact CD2-CG2 3.94Å
160	T	93.1	Very high	92.1	Very high	73 Å²	73	68.2 Å²	68.2	45%	0.448	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-117.5	142.2	176.3	51.3	0	0	0	0	111	P157 K165	P157-T160 HydrophobicContact CB-CG2 3.82Å; P157-T160 HydrophobicContact CG-CG2 3.67Å; T160-K165 CarbonylContact C-O 3.58Å; T160-K165 VanDerWaalsContact CA-O 3.27Å; T160-K165 WeakPolarHBondContact CA-O 3.16Å
161	L	87.1	Confident	92.3	Very high	66 Å²	66	67.7 Å²	67.7	35%	0.346	36%	0.361	S	S	.	.			trans	-79.9	170.6	164.7	-63.6	175.3	0	0	0	110	G163 G164 K165 M167 P186	L161-G163 PolarHBondContact O-N 3.48Å; L161-G164 PolarHBondContact O-N 3.1Å; L161-K165 PolarHBondContact N-O 3.49Å; L161-M167 HydrophobicContact CD2-CB 4.23Å; L161-M167 HydrophobicContact CD2-CE 3.97Å; L161-M167 HydrophobicContact CD2-CG 3.99Å; L161-M167 HydrophobicContact CD2-SD 3.69Å; L161-M167 HydrophobicContact CG-CB 4.07Å; L161-M167 HydrophobicContact CG-CG 4.23Å; L161-P186 HydrophobicContact CD1-CG 4.48Å
162	F	82.8	Confident	92.5	Very high	212 Å²	212	66 Å²	66	93%	0.93	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	135	168.5	-177.3	-96.3	0	0	0	111
163	G	83.4	Confident	92.8	Very high	71 Å²	71	55.7 Å²	55.7	73%	0.732	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	12	-174.9	0	0	0	0	0	115.1	L161 K165	L161-G163 PolarHBondContact O-N 3.48Å; G163-K165 VanDerWaalsContact C-N 3.29Å; G163-K165 PolarHBondContact O-N 3.48Å
164	G	85.4	Confident	93	Very high	51 Å²	51	53 Å²	53	53%	0.526	29%	0.294	S	S	.	.	S	Bend	trans	77.8	8.4	171	0	0	0	0	0	115.1	L161	L161-G164 PolarHBondContact O-N 3.1Å
165	K	90.6	Very high	93.2	Very high	149 Å²	149	45.9 Å²	45.9	65%	0.648	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-70.3	135	175.4	-70.2	-176.4	178.1	179.5	0	110.1	T160 L161 G163 M167	T160-K165 CarbonylContact C-O 3.58Å; T160-K165 VanDerWaalsContact CA-O 3.27Å; T160-K165 WeakPolarHBondContact CA-O 3.16Å; L161-K165 PolarHBondContact N-O 3.49Å; G163-K165 VanDerWaalsContact C-N 3.29Å; G163-K165 PolarHBondContact O-N 3.48Å; K165-M167 PolarHBondContact O-N 3.49Å
166	P	93.5	Very high	93.3	Very high	56 Å²	56	46.4 Å²	46.4	36%	0.364	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-62.2	136.8	175.4	26.8	-34	0	0	0	110.4	N130 P157	N130-P166 HydrophobicContact CB-CB 3.89Å; N130-P166 HydrophobicContact CB-CG 4.05Å; P157-P166 HydrophobicContact CB-CB 3.85Å; P157-P166 HydrophobicContact CG-CB 4.02Å
167	M	93	Very high	93.3	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.059	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-84.9	131	170.6	-166.9	166.6	-162	0	0	109.2	L159 L161 K165 L183 V239	L159-M167 HydrophobicContact CB-CB 4.15Å; L159-M167 HydrophobicContact CD2-CB 3.93Å; L159-M167 HydrophobicContact CD2-CG 4.11Å; L159-M167 HydrophobicContact CD2-SD 3.39Å; L159-M167 WeakPolarHBondContact CD2-SD 3.4Å; L159-M167 HydrophobicContact CG-CB 3.87Å; L159-M167 HydrophobicContact CG-SD 4.13Å; L159-M167 PolarHBondContact O-N 3.3Å; L161-M167 HydrophobicContact CD2-CB 4.23Å; L161-M167 HydrophobicContact CD2-CE 3.97Å; L161-M167 HydrophobicContact CD2-CG 3.99Å; L161-M167 HydrophobicContact CD2-SD 3.69Å; L161-M167 HydrophobicContact CG-CB 4.07Å; L161-M167 HydrophobicContact CG-CG 4.23Å; K165-M167 PolarHBondContact O-N 3.49Å; M167-L183 HydrophobicContact CE-CB 3.82Å; M167-L183 HydrophobicContact CE-CD1 4.23Å; M167-L183 HydrophobicContact SD-CB 4.18Å; M167-L183 HydrophobicContact SD-CD1 3.86Å; M167-L183 HydrophobicContact SD-CD2 4.44Å; M167-L183 HydrophobicContact SD-CG 4.4Å; M167-V239 HydrophobicContact SD-CG2 4.24Å
168	E	93.3	Very high	93.3	Very high	98 Å²	98	43.5 Å²	43.5	46%	0.458	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-81.4	147.4	175.5	-58.9	-165.9	148.1	0	0	110.9	R86 L184	R86-E168 IonicContact CZ-OE1 3.1Å; R86-E168 IonicContact CZ-OE2 2.63Å; R86-E168 VanDerWaalsContact CZ-OE2 3.29Å; R86-E168 IonicContact NH1-OE2 3.68Å; R86-E168 PolarHBondContact NH1-OE2 2.63Å; R86-E168 IonicContact NH2-OE1 2.81Å; R86-E168 PolarHBondContact NH2-OE1 2.87Å; R86-E168 IonicContact NH2-OE2 2.93Å; R86-E168 PolarHBondContact NH2-OE2 2.7Å; E168-L184 HydrophobicContact CB-CB 4.12Å; E168-L184 HydrophobicContact CB-CD1 3.59Å; E168-L184 HydrophobicContact CB-CG 4.49Å; E168-L184 PolarHBondContact O-N 2.9Å
169	G	95.7	Very high	93.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-175.9	177	0	0	0	0	0	111.3	L128 S182	L128-G169 PolarHBondContact N-O 3.3Å; G169-S182 CarbonylContact C-O 3.52Å; G169-S182 WeakPolarHBondContact CA-O 3.37Å
170	W	97.4	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.6	174.9	58.3	89.5	0	0	0	111.7	L88 C98 L113 S115 S126 W127 V181 S182 L184 L190	L88-W170 HydrophobicContact CD1-CB 3.51Å; L88-W170 HydrophobicContact CD1-CD2 4.45Å; L88-W170 HydrophobicContact CD1-CG 3.96Å; L88-W170 HydrophobicContact CD2-CD2 3.91Å; L88-W170 HydrophobicContact CD2-CE3 3.94Å; L88-W170 HydrophobicContact CD2-CG 4.21Å; L88-W170 HydrophobicContact CD2-CZ3 4.42Å; C98-W170 HydrophobicContact CB-CH2 4.04Å; C98-W170 HydrophobicContact CB-CZ3 4.1Å; L113-W170 HydrophobicContact CB-CH2 4.24Å; S115-W170 PolarHBondContact OG-NE1 3.07Å; S126-W170 CarbonylContact O-C 3.56Å; S126-W170 VanDerWaalsContact O-CA 3.29Å; S126-W170 WeakPolarHBondContact O-CA 3.4Å; S126-W170 WeakPolarHBondContact O-CB 3.48Å; W127-W170 HydrophobicContact CH2-CE3 4.48Å; W127-W170 HydrophobicContact CZ3-CE3 4.08Å; W170-V181 WeakPolarHBondContact O-CA 3.37Å; W170-S182 PolarHBondContact N-O 2.71Å; W170-S182 VanDerWaalsContact NE1-CB 3.33Å; W170-S182 PolarHBondContact NE1-OG 3.44Å; W170-S182 PolarHBondContact O-N 2.82Å; W170-L184 HydrophobicContact CE3-CD1 4.32Å; W170-L184 HydrophobicContact CZ3-CD1 4Å; W170-L184 HydrophobicContact CZ3-CD2 4.1Å; W170-L184 HydrophobicContact CZ3-CG 4.03Å; W170-L190 HydrophobicContact CH2-CD1 3.91Å; W170-L190 HydrophobicContact CH2-CD2 3.51Å; W170-L190 HydrophobicContact CH2-CG 4.38Å; W170-L190 HydrophobicContact CZ2-CD1 4.02Å; W170-L190 HydrophobicContact CZ2-CD2 4.14Å; W170-L190 HydrophobicContact CZ3-CD2 4.09Å
171	L	97.8	Very high	93.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.6	174.6	-179.5	149.6	0	0	0	108.6	S126 L128 V173 V179 T180 V181 I209 I217 V219 V235	S126-L171 PolarHBondContact N-O 2.7Å; S126-L171 PolarHBondContact O-N 3.18Å; L128-L171 HydrophobicContact CD2-CB 4.42Å; L171-V173 HydrophobicContact CD2-CG2 4.13Å; L171-V179 HydrophobicContact CD1-CG1 3.59Å; L171-V179 HydrophobicContact CD2-CG1 4.15Å; L171-V179 HydrophobicContact CG-CG1 3.78Å; L171-T180 CarbonylContact C-O 3.56Å; L171-T180 VanDerWaalsContact CA-O 3.26Å; L171-T180 WeakPolarHBondContact CA-O 3.36Å; L171-V181 HydrophobicContact CB-CG2 4.23Å; L171-V181 HydrophobicContact CD1-CG2 3.79Å; L171-V181 HydrophobicContact CG-CG2 4.06Å; L171-I209 HydrophobicContact CD2-CD1 3.6Å; L171-I209 HydrophobicContact CD2-CG1 4.28Å; L171-I217 HydrophobicContact CD1-CD1 3.71Å; L171-I217 HydrophobicContact CD1-CG2 4.2Å; L171-V219 HydrophobicContact CD2-CG2 4.49Å; L171-V235 HydrophobicContact CD1-CG1 3.98Å
172	A	97.9	Very high	94.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.3	172.7	0	0	0	0	0	111.4	I96 I122 A124 L125 V179 T180	I96-A172 HydrophobicContact CD1-CB 3.51Å; I122-A172 HydrophobicContact CD1-CB 4.19Å; I122-A172 HydrophobicContact CG2-CB 3.95Å; A124-A172 CarbonylContact O-C 3.53Å; A124-A172 VanDerWaalsContact O-CA 3.23Å; A124-A172 WeakPolarHBondContact O-CA 3.37Å; L125-A172 HydrophobicContact CD1-CB 3.78Å; A172-V179 CarbonylContact O-C 3.46Å; A172-V179 WeakPolarHBondContact O-CA 3.29Å; A172-T180 HydrophobicContact CB-CG2 3.69Å; A172-T180 PolarHBondContact N-O 3.03Å; A172-T180 PolarHBondContact O-N 2.98Å
173	V	97.7	Very high	94.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.1	176.4	-176.4	0	0	0	0	108.4	V123 A124 L171 L178 V179 L197 A207 I209 V219	V123-V173 HydrophobicContact CG2-CB 4.31Å; V123-V173 HydrophobicContact CG2-CG1 4.14Å; V123-V173 VanDerWaalsContact CG2-O 3.29Å; V123-V173 WeakPolarHBondContact CG2-O 3.15Å; V123-V173 PolarHBondContact N-O 2.66Å; A124-V173 HydrophobicContact CB-CB 4.16Å; A124-V173 HydrophobicContact CB-CG2 4.3Å; A124-V173 PolarHBondContact N-O 3.31Å; A124-V173 PolarHBondContact O-N 3.32Å; L171-V173 HydrophobicContact CD2-CG2 4.13Å; V173-L178 CarbonylContact C-O 3.55Å; V173-L178 VanDerWaalsContact CA-O 3.3Å; V173-L178 WeakPolarHBondContact CA-O 3.22Å; V173-V179 HydrophobicContact CG2-CG2 4.11Å; V173-L197 HydrophobicContact CG1-CD1 3.87Å; V173-A207 HydrophobicContact CB-CB 4.27Å; V173-A207 HydrophobicContact CG1-CB 4.03Å; V173-I209 HydrophobicContact CG2-CD1 4.29Å; V173-I209 HydrophobicContact CG2-CG1 4.44Å; V173-V219 HydrophobicContact CG1-CG1 4.42Å; V173-V219 HydrophobicContact CG2-CG1 3.72Å; V173-V219 HydrophobicContact CG2-CG2 4.13Å
174	T	96.9	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	166	-178.8	77.7	0	0	0	0	112.9	V117 D120 P121 I122 S176 G177 L178	V117-T174 HydrophobicContact CB-CG2 4.32Å; V117-T174 HydrophobicContact CG1-CG2 4.25Å; V117-T174 HydrophobicContact CG2-CG2 4.29Å; D120-T174 HydrophobicContact CB-CG2 4.34Å; D120-T174 WeakPolarHBondContact OD1-CB 3.47Å; D120-T174 PolarHBondContact OD1-OG1 3.18Å; D120-T174 VanDerWaalsContact OD2-CB 3.25Å; D120-T174 WeakPolarHBondContact OD2-CB 3.33Å; D120-T174 PolarHBondContact OD2-OG1 2.83Å; P121-T174 CarbonylContact O-C 3.55Å; P121-T174 WeakPolarHBondContact O-CA 3.43Å; I122-T174 HydrophobicContact CD1-CG2 3.83Å; T174-S176 PolarHBondContact O-N 3.38Å; T174-S176 PolarHBondContact OG1-N 2.91Å; T174-G177 PolarHBondContact O-N 3.21Å; T174-G177 VanDerWaalsContact O-N 3.09Å; T174-L178 HydrophobicContact CG2-CB 3.94Å; T174-L178 PolarHBondContact N-O 2.96Å; T174-L178 WeakPolarHBondContact OG1-CB 3.01Å; T174-L178 PolarHBondContact OG1-N 3.47Å; T174-L178 VanDerWaalsContact OG1-N 3.12Å
175	V	96	Very high	95.2	Very high	45 Å²	45	23.6 Å²	23.6	27%	0.273	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.3	176.1	-65.2	0	0	0	0	113.5	D120 P121 V123 G177 R203 V204	D120-V175 WeakPolarHBondContact OD1-CG2 3.47Å; P121-V175 HydrophobicContact CB-CG1 3.77Å; P121-V175 HydrophobicContact CB-CG2 4.04Å; P121-V175 VanDerWaalsContact CD-CG2 3.49Å; P121-V175 HydrophobicContact CG-CG1 4.06Å; P121-V175 HydrophobicContact CG-CG2 3.61Å; P121-V175 PolarHBondContact O-N 3.29Å; V123-V175 HydrophobicContact CG1-CB 4.48Å; V123-V175 HydrophobicContact CG1-CG1 3.38Å; V175-G177 PolarHBondContact O-N 3.32Å; V175-R203 CarbonylContact O-C 3.19Å; V175-R203 WeakPolarHBondContact O-CA 3.38Å; V175-V204 WeakPolarHBondContact CA-O 3.31Å; V175-V204 PolarHBondContact O-N 3.24Å
176	S	95.2	Very high	94.6	Very high	29 Å²	29	21.9 Å²	21.9	20%	0.203	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.2	175.9	87	0	0	0	0	113.7	D120 T174 R201 G202	D120-S176 PolarHBondContact OD1-N 3.45Å; D120-S176 VanDerWaalsContact OD1-N 3.12Å; D120-S176 WeakPolarHBondContact OD2-CB 3.16Å; D120-S176 PolarHBondContact OD2-OG 3.06Å; T174-S176 PolarHBondContact O-N 3.38Å; T174-S176 PolarHBondContact OG1-N 2.91Å; S176-R201 VanDerWaalsContact O-CB 3.31Å; S176-R201 WeakPolarHBondContact O-CB 3.3Å; S176-G202 CarbonylContact C-O 3.58Å; S176-G202 VanDerWaalsContact C-O 3.26Å
177	G	95.5	Very high	93.6	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	15%	0.15	C	C	.	.	S	Bend	trans	82.3	24.1	-178.9	0	0	0	0	0	113.8	T174 V175 L197	T174-G177 PolarHBondContact O-N 3.21Å; T174-G177 VanDerWaalsContact O-N 3.09Å; V175-G177 PolarHBondContact O-N 3.32Å; G177-L197 WeakPolarHBondContact O-CB 3.47Å; G177-L197 PolarHBondContact O-N 3.42Å
178	L	95.9	Very high	93	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.068	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.8	166.8	-68.6	178.3	0	0	0	110.9	V117 V173 T174 E195	V117-L178 HydrophobicContact CG1-CD1 3.95Å; V173-L178 CarbonylContact C-O 3.55Å; V173-L178 VanDerWaalsContact CA-O 3.3Å; V173-L178 WeakPolarHBondContact CA-O 3.22Å; T174-L178 HydrophobicContact CG2-CB 3.94Å; T174-L178 PolarHBondContact N-O 2.96Å; T174-L178 WeakPolarHBondContact OG1-CB 3.01Å; T174-L178 PolarHBondContact OG1-N 3.47Å; T174-L178 VanDerWaalsContact OG1-N 3.12Å; L178-E195 WeakPolarHBondContact CA-O 3.19Å
179	V	96.7	Very high	92.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.6	162.1	165.7	0	0	0	0	108.1	L171 A172 V173 V181 S194 E195 L197 V219 V235 I246	L171-V179 HydrophobicContact CD1-CG1 3.59Å; L171-V179 HydrophobicContact CD2-CG1 4.15Å; L171-V179 HydrophobicContact CG-CG1 3.78Å; A172-V179 CarbonylContact O-C 3.46Å; A172-V179 WeakPolarHBondContact O-CA 3.29Å; V173-V179 HydrophobicContact CG2-CG2 4.11Å; V179-V181 HydrophobicContact CG1-CG2 4.38Å; V179-S194 CarbonylContact O-C 3.52Å; V179-S194 VanDerWaalsContact O-CA 3.24Å; V179-S194 WeakPolarHBondContact O-CA 3.48Å; V179-E195 PolarHBondContact N-O 2.73Å; V179-E195 PolarHBondContact O-N 2.93Å; V179-L197 HydrophobicContact CB-CD2 4.49Å; V179-L197 HydrophobicContact CG2-CD1 4.16Å; V179-L197 HydrophobicContact CG2-CD2 3.29Å; V179-L197 HydrophobicContact CG2-CG 3.57Å; V179-V219 HydrophobicContact CG2-CG2 4.47Å; V179-V235 HydrophobicContact CG1-CG1 4.13Å; V179-V235 HydrophobicContact CG2-CG2 4.32Å; V179-I246 HydrophobicContact CG1-CG2 4.32Å
180	T	97	Very high	92.5	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.7	172.6	-175.9	0	0	0	0	110.3	I96 V117 L171 A172 A193 S194	I96-T180 HydrophobicContact CD1-CG2 4.15Å; V117-T180 HydrophobicContact CG2-CG2 3.7Å; L171-T180 CarbonylContact C-O 3.56Å; L171-T180 VanDerWaalsContact CA-O 3.26Å; L171-T180 WeakPolarHBondContact CA-O 3.36Å; A172-T180 HydrophobicContact CB-CG2 3.69Å; A172-T180 PolarHBondContact N-O 3.03Å; A172-T180 PolarHBondContact O-N 2.98Å; T180-A193 CarbonylContact C-O 3.4Å; T180-A193 VanDerWaalsContact CA-O 3.29Å; T180-A193 WeakPolarHBondContact CA-O 3.36Å; T180-A193 PolarHBondContact OG1-O 3.36Å; T180-S194 VanDerWaalsContact CB-OG 3.31Å; T180-S194 WeakPolarHBondContact CB-OG 3.39Å; T180-S194 PolarHBondContact OG1-OG 2.95Å; T180-S194 VanDerWaalsContact OG1-OG 3.07Å
181	V	97.5	Very high	92.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.5	176.4	175.9	0	0	0	0	108.4	W170 L171 V179 L183 T192 A193 V237 I246	W170-V181 WeakPolarHBondContact O-CA 3.37Å; L171-V181 HydrophobicContact CB-CG2 4.23Å; L171-V181 HydrophobicContact CD1-CG2 3.79Å; L171-V181 HydrophobicContact CG-CG2 4.06Å; V179-V181 HydrophobicContact CG1-CG2 4.38Å; V181-L183 HydrophobicContact CG1-CD2 3.56Å; V181-L183 HydrophobicContact CG1-CG 3.93Å; V181-T192 CarbonylContact O-C 3.47Å; V181-T192 VanDerWaalsContact O-CA 3.23Å; V181-T192 WeakPolarHBondContact O-CA 3.27Å; V181-A193 PolarHBondContact N-O 3.06Å; V181-A193 PolarHBondContact O-N 3.03Å; V181-V237 HydrophobicContact CG1-CG1 4Å; V181-V237 HydrophobicContact CG1-CG2 4.41Å; V181-V237 HydrophobicContact CG2-CG2 3.88Å; V181-I246 HydrophobicContact CB-CD1 3.94Å; V181-I246 HydrophobicContact CB-CG1 4.39Å; V181-I246 HydrophobicContact CG2-CD1 3.7Å; V181-I246 HydrophobicContact CG2-CG1 4.06Å
182	S	96.9	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.2	174	-57.7	0	0	0	0	109.1	S115 G169 W170	S115-S182 WeakPolarHBondContact CB-OG 3.4Å; S115-S182 PolarHBondContact OG-OG 3.05Å; G169-S182 CarbonylContact C-O 3.52Å; G169-S182 WeakPolarHBondContact CA-O 3.37Å; W170-S182 PolarHBondContact N-O 2.71Å; W170-S182 VanDerWaalsContact NE1-CB 3.33Å; W170-S182 PolarHBondContact NE1-OG 3.44Å; W170-S182 PolarHBondContact O-N 2.82Å
183	L	95.8	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.4	-178.5	-55	178.4	0	0	0	110.6	L128 L159 M167 V181 K185 L190 L191 V237 V239 C244	L128-L183 HydrophobicContact CD1-CD2 3.42Å; L128-L183 VanDerWaalsContact CD1-CD2 3.42Å; L159-L183 HydrophobicContact CD2-CD1 3.58Å; L159-L183 HydrophobicContact CD2-CD2 3.81Å; L159-L183 HydrophobicContact CD2-CG 4.35Å; M167-L183 HydrophobicContact CE-CB 3.82Å; M167-L183 HydrophobicContact CE-CD1 4.23Å; M167-L183 HydrophobicContact SD-CB 4.18Å; M167-L183 HydrophobicContact SD-CD1 3.86Å; M167-L183 HydrophobicContact SD-CD2 4.44Å; M167-L183 HydrophobicContact SD-CG 4.4Å; V181-L183 HydrophobicContact CG1-CD2 3.56Å; V181-L183 HydrophobicContact CG1-CG 3.93Å; L183-K185 PolarHBondContact O-N 3.33Å; L183-L190 WeakPolarHBondContact O-CA 3.4Å; L183-L191 HydrophobicContact CB-CB 4.28Å; L183-L191 HydrophobicContact CD1-CD2 4.29Å; L183-L191 PolarHBondContact N-O 3.18Å; L183-L191 PolarHBondContact O-N 2.63Å; L183-V237 HydrophobicContact CD1-CG1 4.49Å; L183-V237 HydrophobicContact CD2-CG1 4.46Å; L183-V239 HydrophobicContact CD1-CG2 3.64Å; L183-C244 HydrophobicContact CD1-CB 3.93Å
184	L	92.4	Very high	92	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.4	177.5	-70.1	146	0	0	0	109.1	L113 W127 E168 W170 L190	L113-L184 HydrophobicContact CD1-CD2 3.25Å; W127-L184 HydrophobicContact CZ3-CD1 4.14Å; E168-L184 HydrophobicContact CB-CB 4.12Å; E168-L184 HydrophobicContact CB-CD1 3.59Å; E168-L184 HydrophobicContact CB-CG 4.49Å; E168-L184 PolarHBondContact O-N 2.9Å; W170-L184 HydrophobicContact CE3-CD1 4.32Å; W170-L184 HydrophobicContact CZ3-CD1 4Å; W170-L184 HydrophobicContact CZ3-CD2 4.1Å; W170-L184 HydrophobicContact CZ3-CG 4.03Å; L184-L190 HydrophobicContact CD2-CD2 3.96Å; L184-L190 HydrophobicContact CG-CD2 4.16Å
185	K	86.8	Confident	92	Very high	59 Å²	59	38.8 Å²	38.8	26%	0.257	26%	0.261	S	S	.	.			trans	-72.8	148.6	175.7	-70.2	-160.5	179.2	-162.4	0	111	L183 G187 G188 A189 L191 E242	L183-K185 PolarHBondContact O-N 3.33Å; K185-G187 PolarHBondContact O-N 2.86Å; K185-G188 PolarHBondContact O-N 3.45Å; K185-A189 WeakPolarHBondContact CB-O 3.42Å; K185-A189 PolarHBondContact N-O 3.28Å; K185-L191 HydrophobicContact CG-CB 4.31Å; K185-E242 PolarHBondContact NZ-O 3.26Å; K185-E242 IonicContact NZ-OE2 2.77Å; K185-E242 PolarHBondContact NZ-OE2 3.44Å
186	P	76.8	Confident	91.9	Very high	113 Å²	113	37.8 Å²	37.8	73%	0.734	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	111.8	164.6	-19.6	31.6	0	0	0	109.1	L161	L161-P186 HydrophobicContact CD1-CG 4.48Å
187	G	73.5	Confident	91.9	Very high	85 Å²	85	36.7 Å²	36.7	88%	0.876	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	119.1	-5.3	-172.5	0	0	0	0	0	115.1	K185	K185-G187 PolarHBondContact O-N 2.86Å
188	G	79.5	Confident	91.6	Very high	45 Å²	45	38.8 Å²	38.8	46%	0.464	26%	0.262	S	S	.	.	S	Bend	trans	91	-5.8	169.4	0	0	0	0	0	115.5	L113 K185	L113-G188 WeakPolarHBondContact CD2-O 3.37Å; K185-G188 PolarHBondContact O-N 3.45Å
189	A	86.9	Confident	90.9	Very high	61 Å²	61	50.2 Å²	50.2	50%	0.504	30%	0.304	S	S	.	.			trans	-73	145.3	172.1	0	0	0	0	0	111.6	K185	K185-A189 WeakPolarHBondContact CB-O 3.42Å; K185-A189 PolarHBondContact N-O 3.28Å
190	L	92.6	Very high	90.2	Very high	48 Å²	48	57.2 Å²	57.2	25%	0.251	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134	173	-69	175.1	0	0	0	111	L113 S114 W170 L183 L184	L113-L190 HydrophobicContact CB-CD1 4.22Å; L113-L190 HydrophobicContact CD1-CD2 4.5Å; L113-L190 HydrophobicContact CD2-CD1 4.41Å; L113-L190 HydrophobicContact CD2-CG 4.22Å; S114-L190 WeakPolarHBondContact O-CD1 3.42Å; W170-L190 HydrophobicContact CH2-CD1 3.91Å; W170-L190 HydrophobicContact CH2-CD2 3.51Å; W170-L190 HydrophobicContact CH2-CG 4.38Å; W170-L190 HydrophobicContact CZ2-CD1 4.02Å; W170-L190 HydrophobicContact CZ2-CD2 4.14Å; W170-L190 HydrophobicContact CZ3-CD2 4.09Å; L183-L190 WeakPolarHBondContact O-CA 3.4Å; L184-L190 HydrophobicContact CD2-CD2 3.96Å; L184-L190 HydrophobicContact CG-CD2 4.16Å
191	L	93.9	Very high	89.6	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.141	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.4	167.4	177.1	65.1	0	0	0	108.5	L183 K185 C244	L183-L191 HydrophobicContact CB-CB 4.28Å; L183-L191 HydrophobicContact CD1-CD2 4.29Å; L183-L191 PolarHBondContact N-O 3.18Å; L183-L191 PolarHBondContact O-N 2.63Å; K185-L191 HydrophobicContact CG-CB 4.31Å; L191-C244 HydrophobicContact CD2-CB 3.87Å; L191-C244 HydrophobicContact CG-CB 3.87Å
192	T	94.9	Very high	88.9	Confident	80 Å²	80	66.6 Å²	66.6	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.3	-178.4	57.3	0	0	0	0	111.9	V181	V181-T192 CarbonylContact O-C 3.47Å; V181-T192 VanDerWaalsContact O-CA 3.23Å; V181-T192 WeakPolarHBondContact O-CA 3.27Å
193	A	95.8	Very high	88.8	Confident	18 Å²	18	75.1 Å²	75.1	15%	0.149	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.1	167.9	0	0	0	0	0	109.1	T180 V181 C244 I246	T180-A193 CarbonylContact C-O 3.4Å; T180-A193 VanDerWaalsContact CA-O 3.29Å; T180-A193 WeakPolarHBondContact CA-O 3.36Å; T180-A193 PolarHBondContact OG1-O 3.36Å; V181-A193 PolarHBondContact N-O 3.06Å; V181-A193 PolarHBondContact O-N 3.03Å; A193-C244 HydrophobicContact CB-CB 3.75Å; A193-I246 HydrophobicContact CB-CD1 3.81Å; A193-I246 HydrophobicContact CB-CG1 4.08Å; A193-I246 WeakPolarHBondContact O-CD1 3.44Å
194	S	95.7	Very high	88.8	Confident	57 Å²	57	75.6 Å²	75.6	40%	0.399	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.9	175.4	-58.3	0	0	0	0	110	V179 T180	V179-S194 CarbonylContact O-C 3.52Å; V179-S194 VanDerWaalsContact O-CA 3.24Å; V179-S194 WeakPolarHBondContact O-CA 3.48Å; T180-S194 VanDerWaalsContact CB-OG 3.31Å; T180-S194 WeakPolarHBondContact CB-OG 3.39Å; T180-S194 PolarHBondContact OG1-OG 2.95Å; T180-S194 VanDerWaalsContact OG1-OG 3.07Å
195	E	95.9	Very high	89	Confident	102 Å²	102	76 Å²	76	48%	0.477	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.3	-179.1	-159.6	62.6	-153.4	0	0	109.7	L178 V179 I246	L178-E195 WeakPolarHBondContact CA-O 3.19Å; V179-E195 PolarHBondContact N-O 2.73Å; V179-E195 PolarHBondContact O-N 2.93Å; E195-I246 HydrophobicContact CB-CB 3.85Å; E195-I246 HydrophobicContact CB-CD1 4.43Å; E195-I246 HydrophobicContact CB-CG2 3.99Å
196	S	95.8	Very high	89.5	Confident	25 Å²	25	75.3 Å²	75.3	18%	0.175	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.3	178.1	-169.1	0	0	0	0	111.1	C198 T248	S196-C198 VanDerWaalsContact CB-O 3.27Å; S196-C198 WeakPolarHBondContact CB-O 3.34Å; S196-C198 PolarHBondContact O-N 2.91Å; S196-C198 PolarHBondContact OG-O 3.26Å; S196-T248 PolarHBondContact O-OG1 3.32Å
197	L	94.4	Very high	90.5	Very high	6 Å²	6	70.3 Å²	70.3	3%	0.031	40%	0.397	C	S	.	.	S	Bend	trans	-59.4	-34.3	174.5	-78	170.5	0	0	0	112.6	V173 G177 V179 V219 Y233 V235	V173-L197 HydrophobicContact CG1-CD1 3.87Å; G177-L197 WeakPolarHBondContact O-CB 3.47Å; G177-L197 PolarHBondContact O-N 3.42Å; V179-L197 HydrophobicContact CB-CD2 4.49Å; V179-L197 HydrophobicContact CG2-CD1 4.16Å; V179-L197 HydrophobicContact CG2-CD2 3.29Å; V179-L197 HydrophobicContact CG2-CG 3.57Å; L197-V219 HydrophobicContact CD1-CG1 4.13Å; L197-V219 HydrophobicContact CD2-CB 4.19Å; L197-V219 HydrophobicContact CD2-CG1 4.26Å; L197-V219 HydrophobicContact CD2-CG2 4.37Å; L197-Y233 HydrophobicContact CB-CD1 4.18Å; L197-Y233 HydrophobicContact CB-CD2 4.25Å; L197-Y233 HydrophobicContact CB-CE1 4.16Å; L197-Y233 HydrophobicContact CB-CE2 4.24Å; L197-Y233 HydrophobicContact CB-CG 4.21Å; L197-Y233 HydrophobicContact CD1-CD2 4.26Å; L197-Y233 HydrophobicContact CD1-CE2 4.38Å; L197-Y233 HydrophobicContact CD2-CD1 4.45Å; L197-Y233 HydrophobicContact CD2-CD2 3.95Å; L197-Y233 HydrophobicContact CD2-CG 3.81Å; L197-Y233 HydrophobicContact CG-CD2 4.4Å; L197-Y233 WeakPolarHBondContact O-CD1 3.42Å; L197-Y233 WeakPolarHBondContact O-CE1 3.43Å; L197-V235 HydrophobicContact CD2-CG2 4.15Å
198	C	88.8	Confident	91.6	Very high	49 Å²	49	67.4 Å²	67.4	33%	0.331	36%	0.362	S	S	.	.	S	Bend	trans	-132.5	160.3	-179.8	-161.9	0	0	0	0	110.7	S196 L200 Y233	S196-C198 VanDerWaalsContact CB-O 3.27Å; S196-C198 WeakPolarHBondContact CB-O 3.34Å; S196-C198 PolarHBondContact O-N 2.91Å; S196-C198 PolarHBondContact OG-O 3.26Å; C198-L200 PolarHBondContact O-N 2.88Å; C198-Y233 HydrophobicContact CB-CE1 4.1Å
199	R	81.6	Confident	92.6	Very high	252 Å²	252	65.8 Å²	65.8	95%	0.951	34%	0.342	S	S	*	.	S	Bend	trans	-58.1	-34	178.4	-70.3	-174.4	178	-176.2	-0.6	112.9
200	L	82.4	Confident	93.1	Very high	147 Å²	147	62.9 Å²	62.9	77%	0.77	32%	0.318	S	S	*	.	S	Bend	trans	-110.7	126.8	172.1	-65.6	172.2	0	0	0	107.9	C198	C198-L200 PolarHBondContact O-N 2.88Å
201	R	83.5	Confident	93.3	Very high	158 Å²	158	60.7 Å²	60.7	60%	0.596	31%	0.307	S	S	*	.			trans	-62.8	138	173	-72.5	-166.3	-167.5	179.6	8.9	109.5	S176	S176-R201 VanDerWaalsContact O-CB 3.31Å; S176-R201 WeakPolarHBondContact O-CB 3.3Å
202	G	83.6	Confident	93.3	Very high	42 Å²	42	61 Å²	61	43%	0.433	31%	0.31	S	S	.	.			trans	-135.2	154.7	-179.8	0	0	0	0	0	109.4	S176 V204	S176-G202 CarbonylContact C-O 3.58Å; S176-G202 VanDerWaalsContact C-O 3.26Å; G202-V204 PolarHBondContact O-N 2.77Å
203	R	93.6	Very high	93.1	Very high	179 Å²	179	59.1 Å²	59.1	68%	0.675	31%	0.306	S	S	*	.			trans	-66.1	124.3	176.4	-179.5	175.7	177.3	-99.3	-2.4	109.7	V175 D223	V175-R203 CarbonylContact O-C 3.19Å; V175-R203 WeakPolarHBondContact O-CA 3.38Å; R203-D223 PolarHBondContact NH1-O 3.24Å; R203-D223 WeakPolarHBondContact O-CA 3.25Å; R203-D223 WeakPolarHBondContact O-CB 3.36Å
204	V	96.5	Very high	92.9	Very high	11 Å²	11	60.6 Å²	60.6	7%	0.067	32%	0.323	C	S	.	.			trans	-109.9	107.8	171.6	-177.3	0	0	0	0	107.9	V123 V175 G202 L206 A207 A221 T222	V123-V204 HydrophobicContact CG2-CG1 4.01Å; V175-V204 WeakPolarHBondContact CA-O 3.31Å; V175-V204 PolarHBondContact O-N 3.24Å; G202-V204 PolarHBondContact O-N 2.77Å; V204-L206 WeakPolarHBondContact CG1-O 3.25Å; V204-A207 HydrophobicContact CG1-CB 4Å; V204-A221 HydrophobicContact CG1-CB 3.88Å; V204-A221 HydrophobicContact CG2-CB 4.25Å; V204-T222 CarbonylContact C-O 3.52Å
205	A	96	Very high	92.6	Very high	31 Å²	31	58.1 Å²	58.1	26%	0.256	31%	0.306	S	S	.	.	S	Bend	trans	-84.9	-34.7	176.2	0	0	0	0	0	112	T222 D223	A205-T222 PolarHBondContact N-O 2.75Å; A205-D223 VanDerWaalsContact CB-C 3.45Å; A205-D223 VanDerWaalsContact CB-O 3.31Å; A205-D223 WeakPolarHBondContact CB-O 3Å
206	L	97.1	Very high	92.5	Very high	46 Å²	46	55.7 Å²	55.7	24%	0.241	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.5	177.5	-60.2	170.2	0	0	0	109.4	V204 A221 T222 V271 T272 L274	V204-L206 WeakPolarHBondContact CG1-O 3.25Å; L206-A221 WeakPolarHBondContact O-CA 3.46Å; L206-T222 HydrophobicContact CB-CG2 3.77Å; L206-T222 HydrophobicContact CD1-CG2 4.28Å; L206-T222 HydrophobicContact CG-CG2 4.44Å; L206-T222 PolarHBondContact N-O 2.75Å; L206-T222 PolarHBondContact O-N 3.05Å; L206-V271 HydrophobicContact CD1-CB 4.45Å; L206-V271 HydrophobicContact CD1-CG1 4.05Å; L206-V271 VanDerWaalsContact CD1-O 3.23Å; L206-V271 WeakPolarHBondContact CD1-O 3.21Å; L206-T272 VanDerWaalsContact CD1-C 3.49Å; L206-L274 HydrophobicContact CB-CB 4.32Å
207	A	97.9	Very high	92.6	Very high	7 Å²	7	54.6 Å²	54.6	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.2	169.2	0	0	0	0	0	111.3	V123 A124 V173 V204 A220	V123-A207 HydrophobicContact CG2-CB 4.08Å; A124-A207 HydrophobicContact CB-CB 3.76Å; V173-A207 HydrophobicContact CB-CB 4.27Å; V173-A207 HydrophobicContact CG1-CB 4.03Å; V204-A207 HydrophobicContact CG1-CB 4Å; A207-A220 CarbonylContact C-O 3.54Å; A207-A220 WeakPolarHBondContact CA-O 3.32Å; A207-A220 WeakPolarHBondContact CB-O 3.47Å
208	D	98.4	Very high	92.8	Very high	25 Å²	25	54.5 Å²	54.5	13%	0.134	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156	170.4	-155.2	50.8	0	0	0	109.8	A220 L274 K275 F276	D208-A220 PolarHBondContact N-O 3.41Å; D208-A220 PolarHBondContact O-N 2.9Å; D208-L274 HydrophobicContact CB-CG 4.43Å; D208-L274 WeakPolarHBondContact CB-O 3.5Å; D208-K275 WeakPolarHBondContact OD1-CD 3.35Å; D208-K275 IonicContact OD1-NZ 2.73Å; D208-K275 PolarHBondContact OD1-NZ 2.99Å; D208-K275 WeakPolarHBondContact OD2-CA 3.31Å; D208-F276 HydrophobicContact CB-CD2 4.06Å; D208-F276 HydrophobicContact CB-CE2 4.46Å; D208-F276 WeakPolarHBondContact O-CE2 3.36Å; D208-F276 PolarHBondContact OD2-N 3.42Å
209	I	98.4	Very high	93.3	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.056	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.9	-170.6	-58.7	162.4	0	0	0	109.8	A124 L171 V173 F211 I217 V218 V219	A124-I209 HydrophobicContact CB-CD1 3.95Å; A124-I209 HydrophobicContact CB-CG1 4.19Å; L171-I209 HydrophobicContact CD2-CD1 3.6Å; L171-I209 HydrophobicContact CD2-CG1 4.28Å; V173-I209 HydrophobicContact CG2-CD1 4.29Å; V173-I209 HydrophobicContact CG2-CG1 4.44Å; I209-F211 HydrophobicContact CG2-CE2 4.19Å; I209-F211 HydrophobicContact CG2-CZ 4.11Å; I209-I217 HydrophobicContact CG2-CG2 3.57Å; I209-V218 WeakPolarHBondContact CA-O 3.42Å; I209-V219 HydrophobicContact CG1-CG2 4.42Å
210	A	97.6	Very high	94.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	171.7	172.2	0	0	0	0	0	111.7	V218 F276 R279	A210-V218 PolarHBondContact N-O 2.74Å; A210-V218 PolarHBondContact O-N 3.3Å; A210-F276 HydrophobicContact CB-CB 3.86Å; A210-F276 HydrophobicContact CB-CD1 3.82Å; A210-F276 HydrophobicContact CB-CD2 3.39Å; A210-F276 HydrophobicContact CB-CE1 4.17Å; A210-F276 HydrophobicContact CB-CE2 3.75Å; A210-F276 HydrophobicContact CB-CG 3.41Å; A210-F276 VanDerWaalsContact CB-CG 3.41Å; A210-F276 HydrophobicContact CB-CZ 4.13Å; A210-R279 CarbonylContact C-O 3.59Å; A210-R279 WeakPolarHBondContact CA-O 3.23Å
211	F	96.8	Very high	94.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.6	-174.5	-58.9	-92	0	0	0	110.5	W127 H129 F155 S158 I209 N216 I217 R279 E280	W127-F211 VanDerWaalsContact O-CZ 3.23Å; W127-F211 WeakPolarHBondContact O-CZ 3.38Å; H129-F211 HydrophobicContact CB-CB 4.38Å; H129-F211 HydrophobicContact CB-CD1 3.54Å; H129-F211 HydrophobicContact CB-CD2 4.38Å; H129-F211 HydrophobicContact CB-CE1 3.84Å; H129-F211 HydrophobicContact CB-CG 3.83Å; H129-F211 HydrophobicContact CB-CZ 4.42Å; F155-F211 HydrophobicContact CE1-CB 4.05Å; F155-F211 HydrophobicContact CZ-CB 3.65Å; S158-F211 VanDerWaalsContact OG-CD1 3.31Å; S158-F211 WeakPolarHBondContact OG-CD1 3.43Å; S158-F211 WeakPolarHBondContact OG-CE1 3.35Å; I209-F211 HydrophobicContact CG2-CE2 4.19Å; I209-F211 HydrophobicContact CG2-CZ 4.11Å; F211-N216 WeakPolarHBondContact CA-O 3.44Å; F211-I217 HydrophobicContact CD1-CB 4.5Å; F211-I217 HydrophobicContact CD1-CG1 3.99Å; F211-I217 HydrophobicContact CD1-CG2 4.49Å; F211-I217 HydrophobicContact CE1-CB 4.43Å; F211-I217 HydrophobicContact CE1-CD1 4.28Å; F211-I217 HydrophobicContact CE1-CG1 3.8Å; F211-I217 HydrophobicContact CE1-CG2 4.14Å; F211-R279 HydrophobicContact CD2-CG 3.64Å; F211-R279 WeakPolarHBondContact CD2-O 3.34Å; F211-R279 HydrophobicContact CE2-CG 3.73Å; F211-R279 PolarHBondContact N-O 2.85Å; F211-E280 CarbonylContact O-C 3.58Å
212	T	94.3	Very high	95.5	Very high	34 Å²	34	26 Å²	26	21%	0.209	16%	0.164	C	C	.	.			trans	-91.1	157	174.1	69.4	0	0	0	0	110.6	F155 G214 G215 N216 V218 S282	F155-T212 WeakPolarHBondContact CE1-O 3.4Å; F155-T212 WeakPolarHBondContact CZ-O 3.49Å; T212-G214 PolarHBondContact O-N 3.15Å; T212-G215 PolarHBondContact O-N 2.95Å; T212-N216 HydrophobicContact CG2-CB 4.24Å; T212-N216 PolarHBondContact N-O 3.35Å; T212-N216 WeakPolarHBondContact OG1-CB 3.25Å; T212-N216 PolarHBondContact OG1-N 3.17Å; T212-N216 VanDerWaalsContact OG1-N 3.17Å; T212-N216 PolarHBondContact OG1-ND2 2.91Å; T212-N216 PolarHBondContact OG1-O 3.45Å; T212-V218 HydrophobicContact CG2-CG2 3.73Å; T212-S282 WeakPolarHBondContact CG2-OG 3.35Å
213	G	91.2	Very high	96.1	Very high	39 Å²	39	26.4 Å²	26.4	40%	0.402	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.4	174.6	0	0	0	0	0	114.6	F155 S156 G215	F155-G213 WeakPolarHBondContact CA-O 3.21Å; S156-G213 PolarHBondContact N-O 2.83Å; G213-G215 VanDerWaalsContact C-N 3.32Å
214	G	91.1	Very high	96.2	Very high	49 Å²	49	18.5 Å²	18.5	51%	0.505	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.2	174.2	0	0	0	0	0	115	T212 N216	T212-G214 PolarHBondContact O-N 3.15Å; G214-N216 VanDerWaalsContact C-N 3.32Å
215	G	90.3	Very high	96.1	Very high	5 Å²	5	19.9 Å²	19.9	5%	0.052	14%	0.142	C	C	.	.	S	Bend	trans	88.4	-11.7	-178.3	0	0	0	0	0	114.4	S156 S158 T212 G213	S156-G215 VanDerWaalsContact O-CA 3.3Å; S156-G215 WeakPolarHBondContact O-CA 3.47Å; S158-G215 VanDerWaalsContact CA-O 3.24Å; S158-G215 WeakPolarHBondContact CA-O 3.24Å; S158-G215 PolarHBondContact OG-O 2.95Å; T212-G215 PolarHBondContact O-N 2.95Å; G213-G215 VanDerWaalsContact C-N 3.32Å
216	N	93.9	Very high	96	Very high	51 Å²	51	18.5 Å²	18.5	27%	0.273	13%	0.13	S	C	.	.			trans	-62	144.2	177.3	-49.4	-70.9	0	0	0	111.1	F211 T212 G214 K234	F211-N216 WeakPolarHBondContact CA-O 3.44Å; T212-N216 HydrophobicContact CG2-CB 4.24Å; T212-N216 PolarHBondContact N-O 3.35Å; T212-N216 WeakPolarHBondContact OG1-CB 3.25Å; T212-N216 PolarHBondContact OG1-N 3.17Å; T212-N216 VanDerWaalsContact OG1-N 3.17Å; T212-N216 PolarHBondContact OG1-ND2 2.91Å; T212-N216 PolarHBondContact OG1-O 3.45Å; G214-N216 VanDerWaalsContact C-N 3.32Å; N216-K234 HydrophobicContact CB-CD 4.41Å; N216-K234 HydrophobicContact CB-CG 4.09Å; N216-K234 WeakPolarHBondContact OD1-CE 3.41Å
217	I	98.1	Very high	95.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.8	175.9	-48.3	175.7	0	0	0	107.5	L128 L171 I209 F211 K234 V235 V237	L128-I217 HydrophobicContact CD2-CD1 3.56Å; L171-I217 HydrophobicContact CD1-CD1 3.71Å; L171-I217 HydrophobicContact CD1-CG2 4.2Å; I209-I217 HydrophobicContact CG2-CG2 3.57Å; F211-I217 HydrophobicContact CD1-CB 4.5Å; F211-I217 HydrophobicContact CD1-CG1 3.99Å; F211-I217 HydrophobicContact CD1-CG2 4.49Å; F211-I217 HydrophobicContact CE1-CB 4.43Å; F211-I217 HydrophobicContact CE1-CD1 4.28Å; F211-I217 HydrophobicContact CE1-CG1 3.8Å; F211-I217 HydrophobicContact CE1-CG2 4.14Å; I217-K234 CarbonylContact O-C 3.53Å; I217-K234 WeakPolarHBondContact O-CA 3.24Å; I217-V235 HydrophobicContact CB-CB 4.19Å; I217-V235 PolarHBondContact N-O 3.43Å; I217-V235 VanDerWaalsContact N-O 3.12Å; I217-V235 PolarHBondContact O-N 3.42Å; I217-V237 HydrophobicContact CD1-CG2 3.99Å
218	V	98.4	Very high	95.7	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.03	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.5	175.6	-177	0	0	0	0	108.8	I209 A210 T212 Y233 L251 F276	I209-V218 WeakPolarHBondContact CA-O 3.42Å; A210-V218 PolarHBondContact N-O 2.74Å; A210-V218 PolarHBondContact O-N 3.3Å; T212-V218 HydrophobicContact CG2-CG2 3.73Å; V218-Y233 CarbonylContact C-O 3.48Å; V218-Y233 VanDerWaalsContact CA-O 3.25Å; V218-Y233 WeakPolarHBondContact CA-O 3.3Å; V218-L251 HydrophobicContact CG1-CD1 3.99Å; V218-L251 HydrophobicContact CG2-CD1 4.36Å; V218-F276 HydrophobicContact CB-CZ 4.44Å; V218-F276 HydrophobicContact CG1-CZ 3.91Å
219	V	98.5	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.9	176	178.9	0	0	0	0	108.3	L171 V173 V179 L197 I209 F232 Y233 V235	L171-V219 HydrophobicContact CD2-CG2 4.49Å; V173-V219 HydrophobicContact CG1-CG1 4.42Å; V173-V219 HydrophobicContact CG2-CG1 3.72Å; V173-V219 HydrophobicContact CG2-CG2 4.13Å; V179-V219 HydrophobicContact CG2-CG2 4.47Å; L197-V219 HydrophobicContact CD1-CG1 4.13Å; L197-V219 HydrophobicContact CD2-CB 4.19Å; L197-V219 HydrophobicContact CD2-CG1 4.26Å; L197-V219 HydrophobicContact CD2-CG2 4.37Å; I209-V219 HydrophobicContact CG1-CG2 4.42Å; V219-F232 CarbonylContact O-C 3.54Å; V219-F232 WeakPolarHBondContact O-CA 3.4Å; V219-Y233 PolarHBondContact N-O 3.1Å; V219-Y233 PolarHBondContact O-N 3.43Å; V219-V235 HydrophobicContact CG2-CG2 3.86Å
220	A	98.4	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.7	165.4	0	0	0	0	0	108.7	A207 D208 Q231 F232 L274 F276	A207-A220 CarbonylContact C-O 3.54Å; A207-A220 WeakPolarHBondContact CA-O 3.32Å; A207-A220 WeakPolarHBondContact CB-O 3.47Å; D208-A220 PolarHBondContact N-O 3.41Å; D208-A220 PolarHBondContact O-N 2.9Å; A220-Q231 CarbonylContact C-O 3.47Å; A220-Q231 WeakPolarHBondContact CA-O 3.25Å; A220-F232 HydrophobicContact CB-CD1 3.71Å; A220-F232 HydrophobicContact CB-CE1 3.49Å; A220-F232 VanDerWaalsContact CB-CE1 3.49Å; A220-F232 HydrophobicContact CB-CZ 4.23Å; A220-L274 HydrophobicContact CB-CD1 3.94Å; A220-L274 HydrophobicContact CB-CD2 3.89Å; A220-L274 HydrophobicContact CB-CG 4.22Å; A220-F276 HydrophobicContact CB-CE2 3.75Å; A220-F276 HydrophobicContact CB-CZ 3.7Å
221	A	97.9	Very high	95.4	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.6	-177.6	0	0	0	0	0	111.9	V204 L206 Q231 Y233	V204-A221 HydrophobicContact CG1-CB 3.88Å; V204-A221 HydrophobicContact CG2-CB 4.25Å; L206-A221 WeakPolarHBondContact O-CA 3.46Å; A221-Q231 PolarHBondContact N-O 2.64Å; A221-Q231 PolarHBondContact O-N 3.46Å; A221-Y233 HydrophobicContact CB-CE2 4.18Å
222	T	97.4	Very high	95.4	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.1	172.9	175.3	0	0	0	0	110.3	V204 A205 L206 G224 V271 L274	V204-T222 CarbonylContact C-O 3.52Å; A205-T222 PolarHBondContact N-O 2.75Å; L206-T222 HydrophobicContact CB-CG2 3.77Å; L206-T222 HydrophobicContact CD1-CG2 4.28Å; L206-T222 HydrophobicContact CG-CG2 4.44Å; L206-T222 PolarHBondContact N-O 2.75Å; L206-T222 PolarHBondContact O-N 3.05Å; T222-G224 PolarHBondContact O-N 3.03Å; T222-G224 PolarHBondContact OG1-N 2.93Å; T222-G224 VanDerWaalsContact OG1-N 3.15Å; T222-V271 HydrophobicContact CG2-CB 4.38Å; T222-V271 HydrophobicContact CG2-CG1 4.19Å; T222-L274 HydrophobicContact CG2-CD2 4.03Å
223	D	96.1	Very high	95.6	Very high	51 Å²	51	23 Å²	23	27%	0.273	16%	0.159	S	C	.	.			trans	-75.3	-1.2	171.9	69.6	-5.4	0	0	0	113	R203 A205 S225 S228	R203-D223 PolarHBondContact NH1-O 3.24Å; R203-D223 WeakPolarHBondContact O-CA 3.25Å; R203-D223 WeakPolarHBondContact O-CB 3.36Å; A205-D223 VanDerWaalsContact CB-C 3.45Å; A205-D223 VanDerWaalsContact CB-O 3.31Å; A205-D223 WeakPolarHBondContact CB-O 3Å; D223-S225 VanDerWaalsContact C-N 3.34Å; D223-S225 WeakPolarHBondContact OD1-CB 3.45Å; D223-S225 PolarHBondContact OD1-N 2.8Å; D223-S228 VanDerWaalsContact CG-CB 3.49Å; D223-S228 WeakPolarHBondContact OD1-CB 3.39Å; D223-S228 PolarHBondContact OD1-OG 2.95Å; D223-S228 VanDerWaalsContact OD2-CB 3.23Å; D223-S228 WeakPolarHBondContact OD2-CB 2.96Å; D223-S228 PolarHBondContact OD2-OG 2.84Å
224	G	95.5	Very high	95.9	Very high	14 Å²	14	23.8 Å²	23.8	14%	0.144	15%	0.152	C	C	.	.	S	Bend	trans	87.8	-4.2	179	0	0	0	0	0	114.2	T222 A270 V271	T222-G224 PolarHBondContact O-N 3.03Å; T222-G224 PolarHBondContact OG1-N 2.93Å; T222-G224 VanDerWaalsContact OG1-N 3.15Å; G224-A270 CarbonylContact O-C 3.59Å; G224-A270 VanDerWaalsContact O-CA 3.29Å; G224-A270 WeakPolarHBondContact O-CA 3.05Å; G224-V271 PolarHBondContact O-N 3.32Å
225	S	95.6	Very high	96.2	Very high	40 Å²	40	21.5 Å²	21.5	28%	0.28	13%	0.128	S	C	.	.	B	Isolated β-bridge	trans	-86.8	133.2	172	178.7	0	0	0	0	110.1	D223 S227 S228	D223-S225 VanDerWaalsContact C-N 3.34Å; D223-S225 WeakPolarHBondContact OD1-CB 3.45Å; D223-S225 PolarHBondContact OD1-N 2.8Å; S225-S227 PolarHBondContact O-N 3.26Å; S225-S227 PolarHBondContact OG-N 2.77Å; S225-S228 PolarHBondContact O-N 2.67Å
226	S	94.2	Very high	96.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20	174	63.8	0	0	0	0	112.9	S228 T259 Y268 P269	S226-S228 VanDerWaalsContact C-N 3.34Å; S226-T259 WeakPolarHBondContact O-CG2 3.39Å; S226-Y268 WeakPolarHBondContact CB-O 3.45Å; S226-Y268 PolarHBondContact OG-O 3.5Å; S226-P269 PolarHBondContact N-O 3.02Å; S226-P269 WeakPolarHBondContact OG-CA 3.43Å; S226-P269 PolarHBondContact OG-O 2.82Å
227	S	92.8	Very high	96.5	Very high	74 Å²	74	21.5 Å²	21.5	52%	0.517	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.8	178.8	-61.9	0	0	0	0	113.1	S225	S225-S227 PolarHBondContact O-N 3.26Å; S225-S227 PolarHBondContact OG-N 2.77Å
228	S	93.8	Very high	96.4	Very high	28 Å²	28	23 Å²	23	20%	0.196	14%	0.139	C	C	.	.	S	Bend	trans	-91.7	152.5	176.3	-65.9	0	0	0	0	111	D223 S225 S226	D223-S228 VanDerWaalsContact CG-CB 3.49Å; D223-S228 WeakPolarHBondContact OD1-CB 3.39Å; D223-S228 PolarHBondContact OD1-OG 2.95Å; D223-S228 VanDerWaalsContact OD2-CB 3.23Å; D223-S228 WeakPolarHBondContact OD2-CB 2.96Å; D223-S228 PolarHBondContact OD2-OG 2.84Å; S225-S228 PolarHBondContact O-N 2.67Å; S226-S228 VanDerWaalsContact C-N 3.34Å
229	P	94.8	Very high	96.1	Very high	39 Å²	39	25.5 Å²	25.5	25%	0.253	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-68.6	145.6	174.4	27.2	-31.7	0	0	0	111.5	L254 F255	P229-L254 CarbonylContact C-O 3.6Å; P229-L254 VanDerWaalsContact CA-O 3.29Å; P229-L254 WeakPolarHBondContact CA-O 3.49Å; P229-F255 HydrophobicContact CB-CD1 4.08Å; P229-F255 HydrophobicContact CB-CD2 4.42Å; P229-F255 HydrophobicContact CB-CE1 3.68Å; P229-F255 HydrophobicContact CB-CE2 4.04Å; P229-F255 HydrophobicContact CB-CG 4.45Å; P229-F255 HydrophobicContact CB-CZ 3.66Å; P229-F255 HydrophobicContact CG-CE1 3.99Å; P229-F255 HydrophobicContact CG-CZ 4Å
230	V	97.1	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.4	160.7	-174.6	0	0	0	0	107.6	F232 S253 L254 L256 L274 L287	V230-F232 HydrophobicContact CB-CE2 4.26Å; V230-F232 HydrophobicContact CG1-CE2 3.84Å; V230-F232 HydrophobicContact CG1-CZ 3.93Å; V230-S253 WeakPolarHBondContact O-CA 3.35Å; V230-S253 WeakPolarHBondContact O-CB 3.34Å; V230-L254 HydrophobicContact CB-CD2 4.15Å; V230-L254 HydrophobicContact CG2-CD2 4.05Å; V230-L254 PolarHBondContact N-O 3.32Å; V230-L254 PolarHBondContact O-N 3.24Å; V230-L256 HydrophobicContact CG2-CD1 3.83Å; V230-L274 HydrophobicContact CG1-CD1 4.2Å; V230-L274 HydrophobicContact CG1-CD2 4.13Å; V230-L287 HydrophobicContact CG2-CD1 4.07Å; V230-L287 HydrophobicContact CG2-CD2 3.9Å
231	Q	96.9	Very high	95.1	Very high	70 Å²	70	33.2 Å²	33.2	33%	0.327	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.5	-177.1	-63.5	179.4	-48.4	0	0	110.2	A220 A221 Y233 L250	A220-Q231 CarbonylContact C-O 3.47Å; A220-Q231 WeakPolarHBondContact CA-O 3.25Å; A221-Q231 PolarHBondContact N-O 2.64Å; A221-Q231 PolarHBondContact O-N 3.46Å; Q231-Y233 HydrophobicContact CB-CE2 3.64Å; Q231-Y233 VanDerWaalsContact CD-OH 3.31Å; Q231-Y233 PolarHBondContact OE1-OH 3.03Å; Q231-L250 HydrophobicContact CB-CD1 4.46Å
232	F	98	Very high	94.5	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.6	179.7	-66.5	-95.7	0	0	0	108.9	V219 A220 V230 L251 P252 L254 F276 V285 W330	V219-F232 CarbonylContact O-C 3.54Å; V219-F232 WeakPolarHBondContact O-CA 3.4Å; A220-F232 HydrophobicContact CB-CD1 3.71Å; A220-F232 HydrophobicContact CB-CE1 3.49Å; A220-F232 VanDerWaalsContact CB-CE1 3.49Å; A220-F232 HydrophobicContact CB-CZ 4.23Å; V230-F232 HydrophobicContact CB-CE2 4.26Å; V230-F232 HydrophobicContact CG1-CE2 3.84Å; V230-F232 HydrophobicContact CG1-CZ 3.93Å; F232-L251 HydrophobicContact CB-CB 3.86Å; F232-L251 HydrophobicContact CB-CD1 4.45Å; F232-L251 WeakPolarHBondContact O-CA 3.48Å; F232-L251 WeakPolarHBondContact O-CB 3.31Å; F232-L251 PolarHBondContact O-N 3.27Å; F232-P252 WeakPolarHBondContact CD2-O 3.5Å; F232-L254 HydrophobicContact CE2-CB 4.09Å; F232-F276 HydrophobicContact CD1-CE1 4.33Å; F232-F276 HydrophobicContact CD1-CZ 4.07Å; F232-F276 HydrophobicContact CE1-CE1 4.03Å; F232-F276 HydrophobicContact CE1-CZ 4.03Å; F232-V285 HydrophobicContact CZ-CG1 4.15Å; F232-W330 HydrophobicContact CD1-CH2 4.41Å; F232-W330 AromaticContact CD1-CZ2 3.66Å; F232-W330 HydrophobicContact CD1-CZ2 3.66Å; F232-W330 AromaticContact CD2-CE2 3.94Å; F232-W330 AromaticContact CD2-CZ2 3.99Å; F232-W330 HydrophobicContact CD2-CZ2 3.99Å; F232-W330 AromaticContact CD2-NE1 3.53Å; F232-W330 AromaticContact CE1-CH2 3.83Å; F232-W330 HydrophobicContact CE1-CH2 3.83Å; F232-W330 AromaticContact CE1-CZ2 3.39Å; F232-W330 HydrophobicContact CE1-CZ2 3.39Å; F232-W330 AromaticContact CE2-CE2 3.66Å; F232-W330 AromaticContact CE2-CZ2 3.77Å; F232-W330 HydrophobicContact CE2-CZ2 3.77Å; F232-W330 AromaticContact CE2-NE1 3.54Å; F232-W330 AromaticContact CG-CZ2 3.95Å; F232-W330 HydrophobicContact CG-CZ2 3.95Å; F232-W330 AromaticContact CZ-CE2 3.79Å; F232-W330 AromaticContact CZ-CH2 3.99Å; F232-W330 HydrophobicContact CZ-CH2 3.99Å; F232-W330 AromaticContact CZ-CZ2 3.46Å; F232-W330 HydrophobicContact CZ-CZ2 3.46Å; F232-W330 VanDerWaalsContact CZ-CZ2 3.46Å
233	Y	97.5	Very high	94.2	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.3	-177.2	-56.6	-88.8	0	0	0	109.7	L197 C198 V218 V219 A221 Q231 E249 L250	L197-Y233 HydrophobicContact CB-CD1 4.18Å; L197-Y233 HydrophobicContact CB-CD2 4.25Å; L197-Y233 HydrophobicContact CB-CE1 4.16Å; L197-Y233 HydrophobicContact CB-CE2 4.24Å; L197-Y233 HydrophobicContact CB-CG 4.21Å; L197-Y233 HydrophobicContact CD1-CD2 4.26Å; L197-Y233 HydrophobicContact CD1-CE2 4.38Å; L197-Y233 HydrophobicContact CD2-CD1 4.45Å; L197-Y233 HydrophobicContact CD2-CD2 3.95Å; L197-Y233 HydrophobicContact CD2-CG 3.81Å; L197-Y233 HydrophobicContact CG-CD2 4.4Å; L197-Y233 WeakPolarHBondContact O-CD1 3.42Å; L197-Y233 WeakPolarHBondContact O-CE1 3.43Å; C198-Y233 HydrophobicContact CB-CE1 4.1Å; V218-Y233 CarbonylContact C-O 3.48Å; V218-Y233 VanDerWaalsContact CA-O 3.25Å; V218-Y233 WeakPolarHBondContact CA-O 3.3Å; V219-Y233 PolarHBondContact N-O 3.1Å; V219-Y233 PolarHBondContact O-N 3.43Å; A221-Y233 HydrophobicContact CB-CE2 4.18Å; Q231-Y233 HydrophobicContact CB-CE2 3.64Å; Q231-Y233 VanDerWaalsContact CD-OH 3.31Å; Q231-Y233 PolarHBondContact OE1-OH 3.03Å; Y233-E249 CarbonylContact C-O 3.53Å; Y233-E249 VanDerWaalsContact CA-O 3.3Å; Y233-E249 WeakPolarHBondContact CA-O 3.46Å; Y233-L250 HydrophobicContact CD1-CB 4.46Å; Y233-L250 HydrophobicContact CD1-CD1 3.96Å; Y233-L250 HydrophobicContact CE1-CB 4.46Å; Y233-L250 HydrophobicContact CE1-CD1 3.52Å
234	K	97.4	Very high	94.1	Very high	57 Å²	57	44.6 Å²	44.6	25%	0.248	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.3	165.3	176.1	178.5	155	-145.5	0	108.2	N216 I217 V236 T248 E249 L251	N216-K234 HydrophobicContact CB-CD 4.41Å; N216-K234 HydrophobicContact CB-CG 4.09Å; N216-K234 WeakPolarHBondContact OD1-CE 3.41Å; I217-K234 CarbonylContact O-C 3.53Å; I217-K234 WeakPolarHBondContact O-CA 3.24Å; K234-V236 HydrophobicContact CG-CG2 4.26Å; K234-T248 CarbonylContact O-C 3.59Å; K234-T248 WeakPolarHBondContact O-CA 3.3Å; K234-E249 HydrophobicContact CB-CB 4.26Å; K234-E249 WeakPolarHBondContact CD-OE2 3.5Å; K234-E249 PolarHBondContact N-O 2.9Å; K234-E249 IonicContact NZ-OE2 2.61Å; K234-E249 PolarHBondContact NZ-OE2 3.2Å; K234-E249 PolarHBondContact O-N 3.46Å; K234-L251 HydrophobicContact CB-CD1 4.03Å; K234-L251 HydrophobicContact CB-CD2 4.08Å; K234-L251 HydrophobicContact CB-CG 4.08Å
235	V	97.6	Very high	94.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125	176	-177.8	0	0	0	0	108.3	L171 V179 L197 I217 V219 I246 D247 T248	L171-V235 HydrophobicContact CD1-CG1 3.98Å; V179-V235 HydrophobicContact CG1-CG1 4.13Å; V179-V235 HydrophobicContact CG2-CG2 4.32Å; L197-V235 HydrophobicContact CD2-CG2 4.15Å; I217-V235 HydrophobicContact CB-CB 4.19Å; I217-V235 PolarHBondContact N-O 3.43Å; I217-V235 VanDerWaalsContact N-O 3.12Å; I217-V235 PolarHBondContact O-N 3.42Å; V219-V235 HydrophobicContact CG2-CG2 3.86Å; V235-I246 HydrophobicContact CG1-CG2 3.62Å; V235-D247 WeakPolarHBondContact CA-O 3.32Å; V235-T248 HydrophobicContact CG2-CG2 4.39Å
236	V	96.1	Very high	94.1	Very high	49 Å²	49	49 Å²	49	30%	0.297	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.6	176.3	-177.5	0	0	0	0	108.2	K234 I246 D247	K234-V236 HydrophobicContact CG-CG2 4.26Å; V236-I246 WeakPolarHBondContact O-CA 3.35Å; V236-D247 HydrophobicContact CB-CB 4.4Å; V236-D247 PolarHBondContact N-O 3.37Å; V236-D247 PolarHBondContact O-N 3.47Å
237	V	95.2	Very high	94.2	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132	178.6	-174.3	0	0	0	0	108.3	L159 V181 L183 I217	L159-V237 HydrophobicContact CD2-CG1 4.05Å; V181-V237 HydrophobicContact CG1-CG1 4Å; V181-V237 HydrophobicContact CG1-CG2 4.41Å; V181-V237 HydrophobicContact CG2-CG2 3.88Å; L183-V237 HydrophobicContact CD1-CG1 4.49Å; L183-V237 HydrophobicContact CD2-CG1 4.46Å; I217-V237 HydrophobicContact CD1-CG2 3.99Å
238	S	94.1	Very high	94.4	Very high	33 Å²	33	52.5 Å²	52.5	23%	0.231	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.1	173.7	64.7	0	0	0	0	111.4	C244 R245	S238-C244 WeakPolarHBondContact O-CA 3.44Å; S238-R245 PolarHBondContact N-O 3.15Å; S238-R245 PolarHBondContact O-N 2.9Å
239	V	92.6	Very high	94.5	Very high	57 Å²	57	55.8 Å²	55.8	35%	0.345	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.5	171.6	178.2	0	0	0	0	108	L159 M167 L183 K243	L159-V239 HydrophobicContact CD2-CG2 3.94Å; M167-V239 HydrophobicContact SD-CG2 4.24Å; L183-V239 HydrophobicContact CD1-CG2 3.64Å; V239-K243 CarbonylContact C-O 3.57Å; V239-K243 WeakPolarHBondContact CA-O 3.3Å
240	V	89.2	Confident	94.5	Very high	54 Å²	54	58.5 Å²	58.5	33%	0.327	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.2	-179.3	-176.7	0	0	0	0	108.2	E242 K243	V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.45Å; V240-K243 PolarHBondContact N-O 3.31Å; V240-K243 PolarHBondContact O-N 2.84Å; V240-K243 VanDerWaalsContact O-N 3.09Å
241	S	86.9	Confident	94.4	Very high	109 Å²	109	60.3 Å²	60.3	76%	0.762	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	50.7	-179	-53.4	0	0	0	0	112.4	K243	S241-K243 PolarHBondContact O-N 3.49Å; S241-K243 VanDerWaalsContact O-N 3.08Å
242	E	85.7	Confident	94.4	Very high	131 Å²	131	59.1 Å²	59.1	61%	0.612	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	6.7	-179.1	-65.1	-61.9	138	0	0	116.4	K185 V240	K185-E242 PolarHBondContact NZ-O 3.26Å; K185-E242 IonicContact NZ-OE2 2.77Å; K185-E242 PolarHBondContact NZ-OE2 3.44Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.45Å
243	K	90.8	Very high	94.2	Very high	150 Å²	150	61.2 Å²	61.2	65%	0.652	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	137.8	176.3	-63.2	-175.4	-179.6	-175.6	0	111	V239 V240 S241	V239-K243 CarbonylContact C-O 3.57Å; V239-K243 WeakPolarHBondContact CA-O 3.3Å; V240-K243 PolarHBondContact N-O 3.31Å; V240-K243 PolarHBondContact O-N 2.84Å; V240-K243 VanDerWaalsContact O-N 3.09Å; S241-K243 PolarHBondContact O-N 3.49Å; S241-K243 VanDerWaalsContact O-N 3.08Å
244	C	94	Very high	94.1	Very high	14 Å²	14	61.1 Å²	61.1	10%	0.095	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.9	172.1	-178.7	0	0	0	0	108.8	L183 L191 A193 S238	L183-C244 HydrophobicContact CD1-CB 3.93Å; L191-C244 HydrophobicContact CD2-CB 3.87Å; L191-C244 HydrophobicContact CG-CB 3.87Å; A193-C244 HydrophobicContact CB-CB 3.75Å; S238-C244 WeakPolarHBondContact O-CA 3.44Å
245	R	95.3	Very high	94	Very high	138 Å²	138	64.2 Å²	64.2	52%	0.521	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.8	173.6	-66.4	-172.7	179.6	-179.2	-0.1	109.1	S238	S238-R245 PolarHBondContact N-O 3.15Å; S238-R245 PolarHBondContact O-N 2.9Å
246	I	96.6	Very high	93.8	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.8	-179.9	-55.9	171.1	0	0	0	106.6	V179 V181 A193 E195 V235 V236 T248	V179-I246 HydrophobicContact CG1-CG2 4.32Å; V181-I246 HydrophobicContact CB-CD1 3.94Å; V181-I246 HydrophobicContact CB-CG1 4.39Å; V181-I246 HydrophobicContact CG2-CD1 3.7Å; V181-I246 HydrophobicContact CG2-CG1 4.06Å; A193-I246 HydrophobicContact CB-CD1 3.81Å; A193-I246 HydrophobicContact CB-CG1 4.08Å; A193-I246 WeakPolarHBondContact O-CD1 3.44Å; E195-I246 HydrophobicContact CB-CB 3.85Å; E195-I246 HydrophobicContact CB-CD1 4.43Å; E195-I246 HydrophobicContact CB-CG2 3.99Å; V235-I246 HydrophobicContact CG1-CG2 3.62Å; V236-I246 WeakPolarHBondContact O-CA 3.35Å; I246-T248 HydrophobicContact CG2-CG2 4.23Å
247	D	95.8	Very high	93.6	Very high	99 Å²	99	67.7 Å²	67.7	53%	0.529	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.2	173	-64.4	-56.3	0	0	0	109.1	V235 V236	V235-D247 WeakPolarHBondContact CA-O 3.32Å; V236-D247 HydrophobicContact CB-CB 4.4Å; V236-D247 PolarHBondContact N-O 3.37Å; V236-D247 PolarHBondContact O-N 3.47Å
248	T	96.4	Very high	93.2	Very high	49 Å²	49	67.4 Å²	67.4	30%	0.301	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.7	-177.6	62.7	0	0	0	0	111.5	S196 K234 V235 I246	S196-T248 PolarHBondContact O-OG1 3.32Å; K234-T248 CarbonylContact O-C 3.59Å; K234-T248 WeakPolarHBondContact O-CA 3.3Å; V235-T248 HydrophobicContact CG2-CG2 4.39Å; I246-T248 HydrophobicContact CG2-CG2 4.23Å
249	E	95.6	Very high	92.9	Very high	96 Å²	96	66.7 Å²	66.7	45%	0.449	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.1	-179.5	177.2	-172.2	177.1	0	0	109.9	Y233 K234	Y233-E249 CarbonylContact C-O 3.53Å; Y233-E249 VanDerWaalsContact CA-O 3.3Å; Y233-E249 WeakPolarHBondContact CA-O 3.46Å; K234-E249 HydrophobicContact CB-CB 4.26Å; K234-E249 WeakPolarHBondContact CD-OE2 3.5Å; K234-E249 PolarHBondContact N-O 2.9Å; K234-E249 IonicContact NZ-OE2 2.61Å; K234-E249 PolarHBondContact NZ-OE2 3.2Å; K234-E249 PolarHBondContact O-N 3.46Å
250	L	95.4	Very high	92.5	Very high	97 Å²	97	68.1 Å²	68.1	51%	0.508	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.5	175.8	-179.3	69.9	0	0	0	110.4	Q231 Y233	Q231-L250 HydrophobicContact CB-CD1 4.46Å; Y233-L250 HydrophobicContact CD1-CB 4.46Å; Y233-L250 HydrophobicContact CD1-CD1 3.96Å; Y233-L250 HydrophobicContact CE1-CB 4.46Å; Y233-L250 HydrophobicContact CE1-CD1 3.52Å
251	L	95.9	Very high	92.2	Very high	38 Å²	38	67.2 Å²	67.2	20%	0.199	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	169.7	175.4	-60.9	-179.8	0	0	0	110.8	V218 F232 K234 S253	V218-L251 HydrophobicContact CG1-CD1 3.99Å; V218-L251 HydrophobicContact CG2-CD1 4.36Å; F232-L251 HydrophobicContact CB-CB 3.86Å; F232-L251 HydrophobicContact CB-CD1 4.45Å; F232-L251 WeakPolarHBondContact O-CA 3.48Å; F232-L251 WeakPolarHBondContact O-CB 3.31Å; F232-L251 PolarHBondContact O-N 3.27Å; K234-L251 HydrophobicContact CB-CD1 4.03Å; K234-L251 HydrophobicContact CB-CD2 4.08Å; K234-L251 HydrophobicContact CB-CG 4.08Å; L251-S253 PolarHBondContact O-N 3.03Å
252	P	95.7	Very high	91.9	Very high	44 Å²	44	67.3 Å²	67.3	29%	0.286	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	125.6	176.4	-28.6	36.2	0	0	0	112.2	F232 L302 L328 W330	F232-P252 WeakPolarHBondContact CD2-O 3.5Å; P252-L302 HydrophobicContact CB-CD1 4.41Å; P252-L328 HydrophobicContact CG-CB 3.92Å; P252-L328 WeakPolarHBondContact CG-O 3.22Å; P252-W330 VanDerWaalsContact O-CD1 3.29Å; P252-W330 PolarHBondContact O-NE1 2.68Å
253	S	95.5	Very high	91.7	Very high	46 Å²	46	68.7 Å²	68.7	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	167	176.8	-58.1	0	0	0	0	111.3	V230 L251	V230-S253 WeakPolarHBondContact O-CA 3.35Å; V230-S253 WeakPolarHBondContact O-CB 3.34Å; L251-S253 PolarHBondContact O-N 3.03Å
254	L	95.3	Very high	91.2	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.2	-175.5	167.2	150.1	0	0	0	110.7	P229 V230 F232 L256 L287 W300 W330	P229-L254 CarbonylContact C-O 3.6Å; P229-L254 VanDerWaalsContact CA-O 3.29Å; P229-L254 WeakPolarHBondContact CA-O 3.49Å; V230-L254 HydrophobicContact CB-CD2 4.15Å; V230-L254 HydrophobicContact CG2-CD2 4.05Å; V230-L254 PolarHBondContact N-O 3.32Å; V230-L254 PolarHBondContact O-N 3.24Å; F232-L254 HydrophobicContact CE2-CB 4.09Å; L254-L256 HydrophobicContact CD2-CD1 4.42Å; L254-L287 HydrophobicContact CD2-CD1 3.38Å; L254-W300 HydrophobicContact CD1-CB 3.72Å; L254-W300 HydrophobicContact CD1-CD2 3.22Å; L254-W300 HydrophobicContact CD1-CE3 3.31Å; L254-W300 HydrophobicContact CD1-CG 3.42Å; L254-W300 VanDerWaalsContact CD1-CG 3.42Å; L254-W300 HydrophobicContact CD1-CH2 4.46Å; L254-W300 HydrophobicContact CD1-CZ2 4.39Å; L254-W300 HydrophobicContact CD1-CZ3 3.96Å; L254-W300 HydrophobicContact CG-CD2 4.16Å; L254-W300 HydrophobicContact CG-CE3 4.18Å; L254-W300 HydrophobicContact CG-CZ3 4.37Å; L254-W330 HydrophobicContact CB-CB 4.2Å; L254-W330 HydrophobicContact CB-CG 3.99Å; L254-W330 HydrophobicContact CD1-CB 3.66Å; L254-W330 HydrophobicContact CD1-CD2 4.07Å; L254-W330 HydrophobicContact CD1-CE3 4.27Å; L254-W330 HydrophobicContact CD1-CG 3.81Å; L254-W330 HydrophobicContact CG-CB 4.38Å
255	F	94.8	Very high	90.5	Very high	121 Å²	121	70.8 Å²	70.8	53%	0.531	35%	0.351	S	S	.	.			trans	-111.8	134.7	169.3	-66.5	-94.6	0	0	0	108.4	P229 W300	P229-F255 HydrophobicContact CB-CD1 4.08Å; P229-F255 HydrophobicContact CB-CD2 4.42Å; P229-F255 HydrophobicContact CB-CE1 3.68Å; P229-F255 HydrophobicContact CB-CE2 4.04Å; P229-F255 HydrophobicContact CB-CG 4.45Å; P229-F255 HydrophobicContact CB-CZ 3.66Å; P229-F255 HydrophobicContact CG-CE1 3.99Å; P229-F255 HydrophobicContact CG-CZ 4Å; F255-W300 WeakPolarHBondContact O-CH2 3.26Å
256	L	93.3	Very high	90	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	36%	0.361	C	S	.	.			trans	-60.1	144.5	178.6	-79.6	77.7	0	0	0	110.4	V230 L254 C258 T259 V271 L287 A289	V230-L256 HydrophobicContact CG2-CD1 3.83Å; L254-L256 HydrophobicContact CD2-CD1 4.42Å; L256-C258 VanDerWaalsContact C-N 3.33Å; L256-T259 PolarHBondContact O-N 3.3Å; L256-T259 PolarHBondContact O-OG1 3.43Å; L256-V271 HydrophobicContact CD1-CG2 4.15Å; L256-V271 HydrophobicContact CD2-CG2 4.18Å; L256-L287 HydrophobicContact CD1-CD1 4.14Å; L256-L287 HydrophobicContact CG-CD1 4.23Å; L256-A289 HydrophobicContact CD2-CB 3.75Å
257	R	91.7	Very high	89.8	Confident	121 Å²	121	74 Å²	74	46%	0.457	38%	0.375	S	S	.	.	H	α-helix	trans	-72.2	-33.3	-178.7	-178.8	-179.5	179.4	178.8	-0.6	110.7	T259 T260 D261 E298 W300 I332	R257-T259 PolarHBondContact O-N 3.44Å; R257-T259 VanDerWaalsContact O-N 3.1Å; R257-T260 PolarHBondContact O-N 3.32Å; R257-T260 PolarHBondContact O-OG1 2.85Å; R257-D261 PolarHBondContact O-N 3.21Å; R257-E298 WeakPolarHBondContact CA-OE1 3.4Å; R257-E298 WeakPolarHBondContact CB-OE1 3.36Å; R257-E298 PolarHBondContact N-OE1 2.84Å; R257-E298 VanDerWaalsContact N-OE1 3.07Å; R257-E298 PolarHBondContact N-OE2 3.29Å; R257-W300 HydrophobicContact CB-CH2 4.37Å; R257-W300 HydrophobicContact CB-CZ2 3.92Å; R257-I332 HydrophobicContact CB-CD1 3.8Å; R257-I332 VanDerWaalsContact CD-CD1 3.46Å; R257-I332 HydrophobicContact CG-CD1 4.3Å
258	C	87.6	Confident	89.8	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.02	35%	0.35	C	S	.	.	H	α-helix	trans	-56.2	-26.2	178.7	69.6	0	0	0	0	113.5	L256 R264 R265 I296 E298	L256-C258 VanDerWaalsContact C-N 3.33Å; C258-R264 CarbonylContact O-C 3.21Å; C258-R264 WeakPolarHBondContact O-CB 3.49Å; C258-R265 WeakPolarHBondContact O-CA 3.41Å; C258-R265 PolarHBondContact O-N 2.99Å; C258-I296 HydrophobicContact CB-CD1 4.29Å; C258-I296 HydrophobicContact CB-CG2 4.12Å; C258-E298 PolarHBondContact N-OE1 2.71Å
259	T	87.4	Confident	89.7	Confident	17 Å²	17	70.5 Å²	70.5	10%	0.104	36%	0.358	C	S	.	.	H	α-helix	trans	-85.2	-20.6	176	59.4	0	0	0	0	113.9	S226 L256 R257 R265	S226-T259 WeakPolarHBondContact O-CG2 3.39Å; L256-T259 PolarHBondContact O-N 3.3Å; L256-T259 PolarHBondContact O-OG1 3.43Å; R257-T259 PolarHBondContact O-N 3.44Å; R257-T259 VanDerWaalsContact O-N 3.1Å; T259-R265 WeakPolarHBondContact O-CG 3.06Å; T259-R265 PolarHBondContact O-NE 3.48Å; T259-R265 VanDerWaalsContact O-NE 3.14Å
260	T	83.9	Confident	89.7	Confident	88 Å²	88	67.9 Å²	67.9	54%	0.54	35%	0.353	S	S	.	.	H	α-helix	trans	-82	-25.4	174.4	65.1	0	0	0	0	113.1	R257 P262	R257-T260 PolarHBondContact O-N 3.32Å; R257-T260 PolarHBondContact O-OG1 2.85Å; T260-P262 WeakPolarHBondContact O-CD 3.37Å
261	D	82.3	Confident	89.8	Confident	35 Å²	35	63.6 Å²	63.6	19%	0.187	33%	0.331	C	S	.	.	S	Bend	trans	-77.9	115.8	177.4	-178.1	-8.5	0	0	0	110.8	R257 L263 R264 R265	R257-D261 PolarHBondContact O-N 3.21Å; D261-L263 PolarHBondContact O-N 2.83Å; D261-L263 VanDerWaalsContact O-N 3.09Å; D261-L263 PolarHBondContact OD1-N 3.4Å; D261-R264 HydrophobicContact CB-CB 4.23Å; D261-R264 PolarHBondContact O-N 3.02Å; D261-R264 IonicContact OD2-CZ 3.79Å; D261-R264 IonicContact OD2-NE 2.67Å; D261-R264 IonicContact OD2-NH1 2.8Å; D261-R264 PolarHBondContact OD2-NH1 3.17Å; D261-R265 PolarHBondContact O-N 3.1Å
262	P	80.3	Confident	89.9	Confident	111 Å²	111	63.7 Å²	63.7	72%	0.721	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.4	-178.5	-25.4	34.8	0	0	0	114.4	T260 R264	T260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-R264 VanDerWaalsContact C-N 3.33Å
263	L	81.9	Confident	90	Very high	159 Å²	159	63.5 Å²	63.5	83%	0.832	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.8	179.9	-67.3	170.4	0	0	0	113.2	D261	D261-L263 PolarHBondContact O-N 2.83Å; D261-L263 VanDerWaalsContact O-N 3.09Å; D261-L263 PolarHBondContact OD1-N 3.4Å
264	R	81.3	Confident	90.1	Very high	80 Å²	80	61.5 Å²	61.5	30%	0.302	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-7.9	-172.6	-63.3	-176.4	176.6	118.8	-8.9	114	C258 D261 P262 D266 K267	C258-R264 CarbonylContact O-C 3.21Å; C258-R264 WeakPolarHBondContact O-CB 3.49Å; D261-R264 HydrophobicContact CB-CB 4.23Å; D261-R264 PolarHBondContact O-N 3.02Å; D261-R264 IonicContact OD2-CZ 3.79Å; D261-R264 IonicContact OD2-NE 2.67Å; D261-R264 IonicContact OD2-NH1 2.8Å; D261-R264 PolarHBondContact OD2-NH1 3.17Å; P262-R264 VanDerWaalsContact C-N 3.33Å; R264-D266 VanDerWaalsContact C-N 3.25Å; R264-D266 PolarHBondContact O-N 3.43Å; R264-D266 VanDerWaalsContact O-N 3.08Å; R264-K267 WeakPolarHBondContact O-CB 3.4Å; R264-K267 PolarHBondContact O-N 3.07Å
265	R	78.8	Confident	90.2	Very high	129 Å²	129	64.9 Å²	64.9	49%	0.487	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-46	-169.8	-179.5	176.3	-71.4	179.9	2.7	114.1	C258 T259 D261	C258-R265 WeakPolarHBondContact O-CA 3.41Å; C258-R265 PolarHBondContact O-N 2.99Å; T259-R265 WeakPolarHBondContact O-CG 3.06Å; T259-R265 PolarHBondContact O-NE 3.48Å; T259-R265 VanDerWaalsContact O-NE 3.14Å; D261-R265 PolarHBondContact O-N 3.1Å
266	D	85	Confident	90.3	Very high	135 Å²	135	59.3 Å²	59.3	72%	0.722	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	2.7	-176	-54.5	-48	0	0	0	113.3	R264	R264-D266 VanDerWaalsContact C-N 3.25Å; R264-D266 PolarHBondContact O-N 3.43Å; R264-D266 VanDerWaalsContact O-N 3.08Å
267	K	92.3	Very high	90.4	Very high	79 Å²	79	59.2 Å²	59.2	34%	0.343	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-36.1	-173.9	-171.7	172.9	-178.7	173.9	0	112.4	R264 N291 D338	R264-K267 WeakPolarHBondContact O-CB 3.4Å; R264-K267 PolarHBondContact O-N 3.07Å; K267-N291 VanDerWaalsContact O-CB 3.3Å; K267-N291 WeakPolarHBondContact O-CB 3.47Å; K267-N291 PolarHBondContact O-ND2 3.47Å; K267-D338 IonicContact NZ-OD1 3.49Å; K267-D338 PolarHBondContact NZ-OD1 3.48Å; K267-D338 IonicContact NZ-OD2 2.66Å; K267-D338 PolarHBondContact NZ-OD2 2.87Å
268	Y	94.9	Very high	90.4	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	29%	0.292	C	S	.	.			trans	-126	83.8	-174.3	-57.5	-65.2	0	0	0	110.1	S226 N291 I296 D338	S226-Y268 WeakPolarHBondContact CB-O 3.45Å; S226-Y268 PolarHBondContact OG-O 3.5Å; Y268-N291 HydrophobicContact CD1-CB 4.44Å; Y268-I296 HydrophobicContact CD2-CB 3.95Å; Y268-I296 HydrophobicContact CD2-CG2 3.46Å; Y268-I296 VanDerWaalsContact CD2-CG2 3.46Å; Y268-I296 HydrophobicContact CE2-CB 3.77Å; Y268-I296 HydrophobicContact CE2-CD1 4.43Å; Y268-I296 HydrophobicContact CE2-CG2 3.86Å; Y268-I296 HydrophobicContact CG-CG2 3.87Å; Y268-D338 WeakPolarHBondContact OH-CB 3.44Å; Y268-D338 PolarHBondContact OH-OD1 3.01Å
269	P	94.7	Very high	90.5	Very high	73 Å²	73	58.9 Å²	58.9	47%	0.474	31%	0.306	S	S	.	.			trans	-77.3	-20.9	-169.5	30	-35.7	0	0	0	114.2	S226	S226-P269 PolarHBondContact N-O 3.02Å; S226-P269 WeakPolarHBondContact OG-CA 3.43Å; S226-P269 PolarHBondContact OG-O 2.82Å
270	A	96.3	Very high	90.8	Very high	40 Å²	40	60 Å²	60	33%	0.331	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.7	-172.8	0	0	0	0	0	112	G224 A289 S290	G224-A270 CarbonylContact O-C 3.59Å; G224-A270 VanDerWaalsContact O-CA 3.29Å; G224-A270 WeakPolarHBondContact O-CA 3.05Å; A270-A289 CarbonylContact O-C 3.47Å; A270-A289 WeakPolarHBondContact O-CA 3.47Å; A270-S290 PolarHBondContact N-O 2.85Å; A270-S290 PolarHBondContact O-N 3.3Å
271	V	97.5	Very high	91.1	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.1	163.7	-174.1	0	0	0	0	107.5	L206 T222 G224 L256 L287 C288	L206-V271 HydrophobicContact CD1-CB 4.45Å; L206-V271 HydrophobicContact CD1-CG1 4.05Å; L206-V271 VanDerWaalsContact CD1-O 3.23Å; L206-V271 WeakPolarHBondContact CD1-O 3.21Å; T222-V271 HydrophobicContact CG2-CB 4.38Å; T222-V271 HydrophobicContact CG2-CG1 4.19Å; G224-V271 PolarHBondContact O-N 3.32Å; L256-V271 HydrophobicContact CD1-CG2 4.15Å; L256-V271 HydrophobicContact CD2-CG2 4.18Å; V271-L287 HydrophobicContact CG1-CD2 4.07Å; V271-C288 CarbonylContact C-O 3.46Å; V271-C288 WeakPolarHBondContact CA-O 3.45Å
272	T	96.8	Very high	91.6	Very high	41 Å²	41	56.2 Å²	56.2	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-25.8	-176.9	56.6	0	0	0	0	113.1	L206 C288 S290	L206-T272 VanDerWaalsContact CD1-C 3.49Å; T272-C288 PolarHBondContact N-O 3.49Å; T272-C288 PolarHBondContact OG1-O 3Å; T272-S290 WeakPolarHBondContact CG2-OG 3.2Å; T272-S290 PolarHBondContact OG1-OG 3.01Å
273	H	97.8	Very high	92.3	Very high	39 Å²	39	55.8 Å²	55.8	18%	0.181	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.5	176.7	-55.1	75.9	0	0	0	110.5	L287 C288 V345	H273-L287 WeakPolarHBondContact O-CA 3.47Å; H273-C288 HydrophobicContact CB-CB 3.81Å; H273-C288 PolarHBondContact N-O 3.38Å; H273-C288 PolarHBondContact O-N 2.93Å; H273-V345 HydrophobicContact CB-CG2 4.09Å
274	L	98	Very high	93	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	116.2	173.4	163.1	57.4	0	0	0	106.9	L206 D208 A220 T222 V230 V285 L287	L206-L274 HydrophobicContact CB-CB 4.32Å; D208-L274 HydrophobicContact CB-CG 4.43Å; D208-L274 WeakPolarHBondContact CB-O 3.5Å; A220-L274 HydrophobicContact CB-CD1 3.94Å; A220-L274 HydrophobicContact CB-CD2 3.89Å; A220-L274 HydrophobicContact CB-CG 4.22Å; T222-L274 HydrophobicContact CG2-CD2 4.03Å; V230-L274 HydrophobicContact CG1-CD1 4.2Å; V230-L274 HydrophobicContact CG1-CD2 4.13Å; L274-V285 HydrophobicContact CD1-CG2 3.44Å; L274-V285 VanDerWaalsContact CD1-CG2 3.44Å; L274-L287 HydrophobicContact CB-CD2 4.17Å; L274-L287 HydrophobicContact CD1-CD2 3.68Å; L274-L287 HydrophobicContact CD1-CG 4.47Å; L274-L287 HydrophobicContact CG-CD2 4.46Å
275	K	97.6	Very high	93.7	Very high	76 Å²	76	45.3 Å²	45.3	33%	0.33	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.8	-178.5	-67.2	-66.9	168.9	-168.2	0	112.9	D208 V285 L286 L347	D208-K275 WeakPolarHBondContact OD1-CD 3.35Å; D208-K275 IonicContact OD1-NZ 2.73Å; D208-K275 PolarHBondContact OD1-NZ 2.99Å; D208-K275 WeakPolarHBondContact OD2-CA 3.31Å; K275-V285 CarbonylContact O-C 3.47Å; K275-V285 WeakPolarHBondContact O-CA 3.44Å; K275-V285 WeakPolarHBondContact O-CG2 3.16Å; K275-L286 PolarHBondContact N-O 2.92Å; K275-L286 PolarHBondContact O-N 3.03Å; K275-L347 HydrophobicContact CB-CD1 3.73Å; K275-L347 HydrophobicContact CG-CD1 4.42Å
276	F	97.6	Very high	94.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138.2	163.1	-71.9	-75.9	0	0	0	109.8	D208 A210 V218 A220 F232 T278 S282 Q284 L347	D208-F276 HydrophobicContact CB-CD2 4.06Å; D208-F276 HydrophobicContact CB-CE2 4.46Å; D208-F276 WeakPolarHBondContact O-CE2 3.36Å; D208-F276 PolarHBondContact OD2-N 3.42Å; A210-F276 HydrophobicContact CB-CB 3.86Å; A210-F276 HydrophobicContact CB-CD1 3.82Å; A210-F276 HydrophobicContact CB-CD2 3.39Å; A210-F276 HydrophobicContact CB-CE1 4.17Å; A210-F276 HydrophobicContact CB-CE2 3.75Å; A210-F276 HydrophobicContact CB-CG 3.41Å; A210-F276 VanDerWaalsContact CB-CG 3.41Å; A210-F276 HydrophobicContact CB-CZ 4.13Å; V218-F276 HydrophobicContact CB-CZ 4.44Å; V218-F276 HydrophobicContact CG1-CZ 3.91Å; A220-F276 HydrophobicContact CB-CE2 3.75Å; A220-F276 HydrophobicContact CB-CZ 3.7Å; F232-F276 HydrophobicContact CD1-CE1 4.33Å; F232-F276 HydrophobicContact CD1-CZ 4.07Å; F232-F276 HydrophobicContact CE1-CE1 4.03Å; F232-F276 HydrophobicContact CE1-CZ 4.03Å; F276-T278 PolarHBondContact O-N 3.25Å; F276-S282 WeakPolarHBondContact CE1-O 3.48Å; F276-Q284 WeakPolarHBondContact CA-O 3.48Å; F276-L347 WeakPolarHBondContact O-CD1 3.46Å
277	L	94.6	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-27.4	-176.4	-71.2	-170.3	0	0	0	113.6	Q284 L286 L347 L373 R387 L388	L277-Q284 HydrophobicContact CB-CB 4.15Å; L277-Q284 HydrophobicContact CD1-CB 3.93Å; L277-Q284 HydrophobicContact CG-CB 4.1Å; L277-Q284 PolarHBondContact N-O 3.15Å; L277-L286 HydrophobicContact CD2-CB 3.85Å; L277-L286 HydrophobicContact CD2-CD1 4.41Å; L277-L347 HydrophobicContact CD2-CD2 4.12Å; L277-L373 HydrophobicContact CD2-CD2 4.47Å; L277-R387 WeakPolarHBondContact CD1-O 3.45Å; L277-R387 PolarHBondContact O-NH2 3.39Å; L277-R387 VanDerWaalsContact O-NH2 3.11Å; L277-L388 HydrophobicContact CD1-CD2 3.73Å
278	T	91.6	Very high	95.5	Very high	36 Å²	36	29.3 Å²	29.3	22%	0.221	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.9	163.9	69.1	0	0	0	0	109.7	F276 E280 N281	F276-T278 PolarHBondContact O-N 3.25Å; T278-E280 PolarHBondContact O-N 3.15Å; T278-N281 PolarHBondContact O-N 3Å; T278-N281 WeakPolarHBondContact OG1-CB 3.41Å; T278-N281 PolarHBondContact OG1-N 3.4Å
279	R	90.8	Very high	95.6	Very high	80 Å²	80	29.2 Å²	29.2	30%	0.302	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.5	175.1	-174.6	169.9	176.1	-174.8	-0.7	112.9	S126 W127 A210 F211	S126-R279 PolarHBondContact OG-NE 3.32Å; S126-R279 PolarHBondContact OG-NH2 3.42Å; S126-R279 VanDerWaalsContact OG-NH2 3.13Å; W127-R279 PolarHBondContact O-NH2 3Å; A210-R279 CarbonylContact C-O 3.59Å; A210-R279 WeakPolarHBondContact CA-O 3.23Å; F211-R279 HydrophobicContact CD2-CG 3.64Å; F211-R279 WeakPolarHBondContact CD2-O 3.34Å; F211-R279 HydrophobicContact CE2-CG 3.73Å; F211-R279 PolarHBondContact N-O 2.85Å
280	E	92.2	Very high	95.7	Very high	40 Å²	40	25.8 Å²	25.8	19%	0.187	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	19.6	-175.9	-56.3	167.8	159.5	0	0	112.9	H129 K133 F155 F211 T278	H129-E280 IonicContact NE2-OE1 2.75Å; K133-E280 HydrophobicContact CD-CB 3.94Å; K133-E280 HydrophobicContact CD-CG 4.37Å; K133-E280 WeakPolarHBondContact CD-OE2 3.47Å; K133-E280 WeakPolarHBondContact CE-OE2 3.23Å; K133-E280 WeakPolarHBondContact CG-OE2 3.48Å; K133-E280 PolarHBondContact NZ-O 2.66Å; F155-E280 HydrophobicContact CE2-CB 4Å; F155-E280 HydrophobicContact CZ-CB 4.38Å; F211-E280 CarbonylContact O-C 3.58Å; T278-E280 PolarHBondContact O-N 3.15Å
281	N	90.9	Very high	95.6	Very high	29 Å²	29	25.6 Å²	25.6	16%	0.155	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	105.6	174.3	-174.2	-1.7	0	0	0	110.7	T278 E283	T278-N281 PolarHBondContact O-N 3Å; T278-N281 WeakPolarHBondContact OG1-CB 3.41Å; T278-N281 PolarHBondContact OG1-N 3.4Å; N281-E283 VanDerWaalsContact C-N 3.3Å; N281-E283 PolarHBondContact O-N 3.33Å; N281-E283 WeakPolarHBondContact OD1-CB 3.37Å; N281-E283 PolarHBondContact OD1-N 3.11Å
282	S	93.6	Very high	95.2	Very high	15 Å²	15	33.6 Å²	33.6	11%	0.105	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	2.7	177.1	64.1	0	0	0	0	114.3	T212 F276	T212-S282 WeakPolarHBondContact CG2-OG 3.35Å; F276-S282 WeakPolarHBondContact CE1-O 3.48Å
283	E	94.4	Very high	94.9	Very high	103 Å²	103	35.7 Å²	35.7	48%	0.481	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-0.7	-174.6	-57.2	-178.3	162.9	0	0	112.8	N281 S301 L302	N281-E283 VanDerWaalsContact C-N 3.3Å; N281-E283 PolarHBondContact O-N 3.33Å; N281-E283 WeakPolarHBondContact OD1-CB 3.37Å; N281-E283 PolarHBondContact OD1-N 3.11Å; E283-S301 CarbonylContact O-C 3.56Å; E283-S301 WeakPolarHBondContact O-CA 3.4Å; E283-L302 HydrophobicContact CB-CB 4.17Å; E283-L302 PolarHBondContact O-N 2.64Å
284	Q	95.6	Very high	94.8	Very high	19 Å²	19	34.1 Å²	34.1	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.3	-179.3	-66.6	178.8	-16.1	0	0	111.1	F276 L277 W300	F276-Q284 WeakPolarHBondContact CA-O 3.48Å; L277-Q284 HydrophobicContact CB-CB 4.15Å; L277-Q284 HydrophobicContact CD1-CB 3.93Å; L277-Q284 HydrophobicContact CG-CB 4.1Å; L277-Q284 PolarHBondContact N-O 3.15Å; Q284-W300 WeakPolarHBondContact CA-O 3.25Å
285	V	97.4	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.9	-174.8	68.8	0	0	0	0	111.1	F232 L274 K275 W300 W330	F232-V285 HydrophobicContact CZ-CG1 4.15Å; L274-V285 HydrophobicContact CD1-CG2 3.44Å; L274-V285 VanDerWaalsContact CD1-CG2 3.44Å; K275-V285 CarbonylContact O-C 3.47Å; K275-V285 WeakPolarHBondContact O-CA 3.44Å; K275-V285 WeakPolarHBondContact O-CG2 3.16Å; V285-W300 HydrophobicContact CG1-CB 3.79Å; V285-W300 PolarHBondContact N-O 2.99Å; V285-W300 PolarHBondContact O-N 3.27Å; V285-W330 HydrophobicContact CB-CH2 4.45Å; V285-W330 HydrophobicContact CB-CZ3 4.39Å; V285-W330 HydrophobicContact CG1-CE3 4.23Å; V285-W330 HydrophobicContact CG1-CH2 4.07Å; V285-W330 HydrophobicContact CG1-CZ3 3.7Å
286	L	98	Very high	94.7	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.2	172.9	-168	79.3	0	0	0	109	K275 L277 V297 C299 V345 L347 L373 L390	K275-L286 PolarHBondContact N-O 2.92Å; K275-L286 PolarHBondContact O-N 3.03Å; L277-L286 HydrophobicContact CD2-CB 3.85Å; L277-L286 HydrophobicContact CD2-CD1 4.41Å; L286-V297 HydrophobicContact CD1-CG1 3.48Å; L286-V297 VanDerWaalsContact CD1-CG1 3.48Å; L286-V297 HydrophobicContact CD2-CG1 4.26Å; L286-V297 HydrophobicContact CG-CG1 3.82Å; L286-C299 HydrophobicContact CD1-CB 4.22Å; L286-V345 HydrophobicContact CD2-CG1 3.97Å; L286-L347 HydrophobicContact CD2-CD2 4.33Å; L286-L373 HydrophobicContact CD1-CD2 4.05Å; L286-L373 HydrophobicContact CD2-CD2 3.9Å; L286-L390 HydrophobicContact CD1-CD1 4.44Å; L286-L390 HydrophobicContact CD1-CD2 3.92Å
287	L	97.9	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	177.4	-74.8	162.7	0	0	0	109.2	V230 L254 L256 V271 H273 L274 V297 E298	V230-L287 HydrophobicContact CG2-CD1 4.07Å; V230-L287 HydrophobicContact CG2-CD2 3.9Å; L254-L287 HydrophobicContact CD2-CD1 3.38Å; L256-L287 HydrophobicContact CD1-CD1 4.14Å; L256-L287 HydrophobicContact CG-CD1 4.23Å; V271-L287 HydrophobicContact CG1-CD2 4.07Å; H273-L287 WeakPolarHBondContact O-CA 3.47Å; L274-L287 HydrophobicContact CB-CD2 4.17Å; L274-L287 HydrophobicContact CD1-CD2 3.68Å; L274-L287 HydrophobicContact CD1-CG 4.47Å; L274-L287 HydrophobicContact CG-CD2 4.46Å; L287-V297 CarbonylContact O-C 3.59Å; L287-V297 VanDerWaalsContact O-CA 3.3Å; L287-V297 WeakPolarHBondContact O-CA 3.27Å; L287-E298 PolarHBondContact N-O 2.74Å; L287-E298 PolarHBondContact O-N 3.5Å
288	C	97.9	Very high	94.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	169.2	-173.1	0	0	0	0	109.2	V271 T272 H273 I296 V297	V271-C288 CarbonylContact C-O 3.46Å; V271-C288 WeakPolarHBondContact CA-O 3.45Å; T272-C288 PolarHBondContact N-O 3.49Å; T272-C288 PolarHBondContact OG1-O 3Å; H273-C288 HydrophobicContact CB-CB 3.81Å; H273-C288 PolarHBondContact N-O 3.38Å; H273-C288 PolarHBondContact O-N 2.93Å; C288-I296 WeakPolarHBondContact CA-O 3.03Å; C288-V297 HydrophobicContact CB-CG2 4.14Å
289	A	97.1	Very high	95.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.4	168.9	0	0	0	0	0	109.6	L256 A270 S295 I296	L256-A289 HydrophobicContact CD2-CB 3.75Å; A270-A289 CarbonylContact O-C 3.47Å; A270-A289 WeakPolarHBondContact O-CA 3.47Å; A289-S295 CarbonylContact O-C 3.57Å; A289-S295 VanDerWaalsContact O-CA 3.25Å; A289-S295 WeakPolarHBondContact O-CA 3.32Å; A289-I296 HydrophobicContact CB-CG2 3.98Å; A289-I296 PolarHBondContact N-O 2.97Å; A289-I296 PolarHBondContact O-N 3.22Å
290	S	96.7	Very high	95.4	Very high	2 Å²	2	26 Å²	26	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.3	-172.7	-47.5	0	0	0	0	111.7	A270 T272 G294 S295	A270-S290 PolarHBondContact N-O 2.85Å; A270-S290 PolarHBondContact O-N 3.3Å; T272-S290 WeakPolarHBondContact CG2-OG 3.2Å; T272-S290 PolarHBondContact OG1-OG 3.01Å; S290-G294 WeakPolarHBondContact CA-O 3.22Å; S290-S295 VanDerWaalsContact CB-OG 3.27Å; S290-S295 WeakPolarHBondContact CB-OG 3.05Å; S290-S295 PolarHBondContact OG-OG 3.34Å
291	N	94.3	Very high	95.6	Very high	36 Å²	36	24.7 Å²	24.7	19%	0.193	13%	0.131	C	C	.	.			trans	-120.4	-159.8	161.6	67.3	20	0	0	0	109	K267 Y268 S293 G294 R341	K267-N291 VanDerWaalsContact O-CB 3.3Å; K267-N291 WeakPolarHBondContact O-CB 3.47Å; K267-N291 PolarHBondContact O-ND2 3.47Å; Y268-N291 HydrophobicContact CD1-CB 4.44Å; N291-S293 VanDerWaalsContact C-N 3.31Å; N291-S293 PolarHBondContact O-N 3.48Å; N291-S293 PolarHBondContact OD1-N 2.97Å; N291-S293 PolarHBondContact OD1-OG 3.41Å; N291-G294 PolarHBondContact N-O 2.9Å; N291-G294 PolarHBondContact OD1-N 2.93Å; N291-G294 PolarHBondContact OD1-O 3.25Å; N291-R341 WeakPolarHBondContact O-CD 3.36Å; N291-R341 PolarHBondContact O-NE 3.23Å
292	Q	89.3	Confident	95.8	Very high	174 Å²	174	24.3 Å²	24.3	81%	0.813	13%	0.129	S	C	*	.	S	Bend	trans	-69.4	-26.9	-179.5	-65.3	-177.4	7.5	0	0	113.9	R341	Q292-R341 WeakPolarHBondContact O-CD 3.32Å; Q292-R341 PolarHBondContact O-NH1 2.99Å
293	S	89.2	Confident	95.8	Very high	86 Å²	86	29.9 Å²	29.9	60%	0.601	15%	0.148	S	C	*	.	S	Bend	trans	-123.1	-4.8	-168.2	65.5	0	0	0	0	114.9	N291	N291-S293 VanDerWaalsContact C-N 3.31Å; N291-S293 PolarHBondContact O-N 3.48Å; N291-S293 PolarHBondContact OD1-N 2.97Å; N291-S293 PolarHBondContact OD1-OG 3.41Å
294	G	95.1	Very high	95.6	Very high	6 Å²	6	32.2 Å²	32.2	6%	0.062	16%	0.157	C	C	.	.			trans	-165.8	173.2	-173.6	0	0	0	0	0	113.5	S290 N291 L339	S290-G294 WeakPolarHBondContact CA-O 3.22Å; N291-G294 PolarHBondContact N-O 2.9Å; N291-G294 PolarHBondContact OD1-N 2.93Å; N291-G294 PolarHBondContact OD1-O 3.25Å; G294-L339 CarbonylContact C-O 3.54Å; G294-L339 WeakPolarHBondContact CA-O 3.48Å
295	S	97.4	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.6	-179.1	-64.3	0	0	0	0	112.4	A289 S290 L339 V342	A289-S295 CarbonylContact O-C 3.57Å; A289-S295 VanDerWaalsContact O-CA 3.25Å; A289-S295 WeakPolarHBondContact O-CA 3.32Å; S290-S295 VanDerWaalsContact CB-OG 3.27Å; S290-S295 WeakPolarHBondContact CB-OG 3.05Å; S290-S295 PolarHBondContact OG-OG 3.34Å; S295-L339 PolarHBondContact N-O 3.49Å; S295-L339 WeakPolarHBondContact O-CB 3.5Å; S295-L339 PolarHBondContact O-N 2.8Å; S295-V342 PolarHBondContact OG-N 3.35Å; S295-V342 VanDerWaalsContact OG-N 3.1Å
296	I	96.6	Very high	94.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143	166.9	-168.2	167.7	0	0	0	108.5	C258 Y268 C288 A289	C258-I296 HydrophobicContact CB-CD1 4.29Å; C258-I296 HydrophobicContact CB-CG2 4.12Å; Y268-I296 HydrophobicContact CD2-CB 3.95Å; Y268-I296 HydrophobicContact CD2-CG2 3.46Å; Y268-I296 VanDerWaalsContact CD2-CG2 3.46Å; Y268-I296 HydrophobicContact CE2-CB 3.77Å; Y268-I296 HydrophobicContact CE2-CD1 4.43Å; Y268-I296 HydrophobicContact CE2-CG2 3.86Å; Y268-I296 HydrophobicContact CG-CG2 3.87Å; C288-I296 WeakPolarHBondContact CA-O 3.03Å; A289-I296 HydrophobicContact CB-CG2 3.98Å; A289-I296 PolarHBondContact N-O 2.97Å; A289-I296 PolarHBondContact O-N 3.22Å
297	V	97.8	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128	178.4	-177.6	0	0	0	0	109.3	L286 L287 C288 T335 T336 L339 V342 L375 L390	L286-V297 HydrophobicContact CD1-CG1 3.48Å; L286-V297 VanDerWaalsContact CD1-CG1 3.48Å; L286-V297 HydrophobicContact CD2-CG1 4.26Å; L286-V297 HydrophobicContact CG-CG1 3.82Å; L287-V297 CarbonylContact O-C 3.59Å; L287-V297 VanDerWaalsContact O-CA 3.3Å; L287-V297 WeakPolarHBondContact O-CA 3.27Å; C288-V297 HydrophobicContact CB-CG2 4.14Å; V297-T335 CarbonylContact O-C 3.53Å; V297-T335 WeakPolarHBondContact O-CA 3.14Å; V297-T336 HydrophobicContact CB-CG2 3.92Å; V297-T336 PolarHBondContact N-OG1 3.13Å; V297-T336 PolarHBondContact O-N 2.92Å; V297-T336 PolarHBondContact O-OG1 3.38Å; V297-L339 HydrophobicContact CG2-CD1 3.97Å; V297-V342 HydrophobicContact CG2-CG2 4.48Å; V297-L375 HydrophobicContact CG2-CD1 4.06Å; V297-L390 HydrophobicContact CB-CD1 4.42Å; V297-L390 HydrophobicContact CG1-CD1 4Å
298	E	96.9	Very high	92.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.4	178.7	-57.8	-176.7	174.9	0	0	110.2	R257 C258 L287 W300 I332	R257-E298 WeakPolarHBondContact CA-OE1 3.4Å; R257-E298 WeakPolarHBondContact CB-OE1 3.36Å; R257-E298 PolarHBondContact N-OE1 2.84Å; R257-E298 VanDerWaalsContact N-OE1 3.07Å; R257-E298 PolarHBondContact N-OE2 3.29Å; C258-E298 PolarHBondContact N-OE1 2.71Å; L287-E298 PolarHBondContact N-O 2.74Å; L287-E298 PolarHBondContact O-N 3.5Å; E298-W300 VanDerWaalsContact CB-NE1 3.3Å; E298-W300 VanDerWaalsContact OE2-CZ2 3.31Å; E298-W300 WeakPolarHBondContact OE2-CZ2 3.46Å; E298-W300 PolarHBondContact OE2-NE1 2.87Å; E298-I332 HydrophobicContact CB-CD1 4.35Å; E298-I332 HydrophobicContact CG-CD1 4.35Å
299	C	97.2	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.2	174	179.5	0	0	0	0	109.2	L286 L333 T334 L390	L286-C299 HydrophobicContact CD1-CB 4.22Å; C299-L333 WeakPolarHBondContact O-CB 3.36Å; C299-L333 PolarHBondContact O-N 3.01Å; C299-T334 HydrophobicContact CB-CG2 3.74Å; C299-T334 PolarHBondContact N-O 3.39Å; C299-T334 PolarHBondContact O-N 3.33Å; C299-L390 HydrophobicContact CB-CD1 4Å; C299-L390 HydrophobicContact CB-CG 4.29Å
300	W	97.4	Very high	90.5	Very high	24 Å²	24	50.1 Å²	50.1	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.5	-173	-68.1	84.6	0	0	0	111.4	L254 F255 R257 Q284 V285 E298 W330 R331 I332	L254-W300 HydrophobicContact CD1-CB 3.72Å; L254-W300 HydrophobicContact CD1-CD2 3.22Å; L254-W300 HydrophobicContact CD1-CE3 3.31Å; L254-W300 HydrophobicContact CD1-CG 3.42Å; L254-W300 VanDerWaalsContact CD1-CG 3.42Å; L254-W300 HydrophobicContact CD1-CH2 4.46Å; L254-W300 HydrophobicContact CD1-CZ2 4.39Å; L254-W300 HydrophobicContact CD1-CZ3 3.96Å; L254-W300 HydrophobicContact CG-CD2 4.16Å; L254-W300 HydrophobicContact CG-CE3 4.18Å; L254-W300 HydrophobicContact CG-CZ3 4.37Å; F255-W300 WeakPolarHBondContact O-CH2 3.26Å; R257-W300 HydrophobicContact CB-CH2 4.37Å; R257-W300 HydrophobicContact CB-CZ2 3.92Å; Q284-W300 WeakPolarHBondContact CA-O 3.25Å; V285-W300 HydrophobicContact CG1-CB 3.79Å; V285-W300 PolarHBondContact N-O 2.99Å; V285-W300 PolarHBondContact O-N 3.27Å; E298-W300 VanDerWaalsContact CB-NE1 3.3Å; E298-W300 VanDerWaalsContact OE2-CZ2 3.31Å; E298-W300 WeakPolarHBondContact OE2-CZ2 3.46Å; E298-W300 PolarHBondContact OE2-NE1 2.87Å; W300-W330 HydrophobicContact CB-CE3 4.08Å; W300-W330 HydrophobicContact CE3-CB 4.21Å; W300-R331 WeakPolarHBondContact CA-O 3.17Å; W300-I332 HydrophobicContact CD2-CB 3.86Å; W300-I332 HydrophobicContact CD2-CG1 4.12Å; W300-I332 VanDerWaalsContact CE3-CA 3.47Å; W300-I332 HydrophobicContact CE3-CB 3.79Å; W300-I332 HydrophobicContact CH2-CB 3.91Å; W300-I332 HydrophobicContact CZ2-CB 3.95Å; W300-I332 HydrophobicContact CZ2-CD1 4.04Å; W300-I332 HydrophobicContact CZ2-CG1 4.17Å; W300-I332 HydrophobicContact CZ3-CB 3.83Å
301	S	96.3	Very high	89.2	Confident	13 Å²	13	55.2 Å²	55.2	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.2	176.6	170.5	0	0	0	0	111.6	E283 W330 R331	E283-S301 CarbonylContact O-C 3.56Å; E283-S301 WeakPolarHBondContact O-CA 3.4Å; S301-W330 VanDerWaalsContact C-CE3 3.47Å; S301-R331 PolarHBondContact N-O 2.8Å; S301-R331 PolarHBondContact O-N 2.92Å
302	L	95.8	Very high	88.3	Confident	22 Å²	22	58.4 Å²	58.4	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.1	172.6	-170.1	64.4	0	0	0	108.8	P252 E283 L328 W330	P252-L302 HydrophobicContact CB-CD1 4.41Å; E283-L302 HydrophobicContact CB-CB 4.17Å; E283-L302 PolarHBondContact O-N 2.64Å; L302-L328 HydrophobicContact CD1-CB 4.08Å; L302-L328 HydrophobicContact CD2-CD1 4.37Å; L302-L328 HydrophobicContact CG-CB 4.35Å; L302-L328 HydrophobicContact CG-CD2 4.45Å; L302-W330 HydrophobicContact CB-CD2 4.1Å; L302-W330 HydrophobicContact CB-CE3 3.94Å; L302-W330 HydrophobicContact CB-CH2 3.95Å; L302-W330 HydrophobicContact CB-CZ2 4.11Å; L302-W330 HydrophobicContact CB-CZ3 3.86Å; L302-W330 HydrophobicContact CD1-CD2 3.92Å; L302-W330 HydrophobicContact CD1-CG 3.99Å; L302-W330 HydrophobicContact CD1-CZ2 4.36Å; L302-W330 HydrophobicContact CD2-CZ2 4.47Å; L302-W330 VanDerWaalsContact N-CE3 3.32Å
303	R	92.9	Very high	87.4	Confident	132 Å²	132	56.2 Å²	56.2	50%	0.498	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.9	-179.9	-64	-170.4	178.7	-167.7	0.2	111.1	L328 K329	R303-L328 CarbonylContact O-C 3.5Å; R303-L328 WeakPolarHBondContact O-CA 3.38Å; R303-K329 PolarHBondContact N-O 2.9Å; R303-K329 PolarHBondContact O-N 3.42Å
304	K	91.6	Very high	86.2	Confident	152 Å²	152	56.2 Å²	56.2	66%	0.661	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.1	169.8	-170.3	173.2	-178.2	176.8	0	108.9	T326 I327 L328	K304-T326 VanDerWaalsContact CE-CB 3.48Å; K304-T326 WeakPolarHBondContact CE-OG1 3.4Å; K304-T326 HydrophobicContact CG-CG2 4.15Å; K304-I327 WeakPolarHBondContact CA-O 3.46Å; K304-L328 HydrophobicContact CB-CD2 4.08Å
305	E	87.8	Confident	84.6	Confident	50 Å²	50	63.8 Å²	63.8	23%	0.234	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.7	-177.9	-64	-169.9	163.1	0	0	111.1	L307 T326 I327 R331	E305-L307 PolarHBondContact O-N 3.1Å; E305-T326 CarbonylContact O-C 3.59Å; E305-T326 WeakPolarHBondContact O-CA 3.31Å; E305-T326 WeakPolarHBondContact O-CB 3.42Å; E305-I327 PolarHBondContact N-O 3.06Å; E305-I327 PolarHBondContact O-N 3.42Å; E305-R331 VanDerWaalsContact CD-NH2 3.32Å; E305-R331 WeakPolarHBondContact OE1-CG 3.35Å; E305-R331 IonicContact OE1-CZ 3.88Å; E305-R331 VanDerWaalsContact OE1-CZ 3.26Å; E305-R331 IonicContact OE1-NE 2.95Å; E305-R331 PolarHBondContact OE1-NE 3.41Å; E305-R331 IonicContact OE1-NH2 2.76Å; E305-R331 PolarHBondContact OE1-NH2 3Å; E305-R331 VanDerWaalsContact OE1-NH2 3.14Å; E305-R331 IonicContact OE2-CZ 3.31Å; E305-R331 IonicContact OE2-NE 2.93Å; E305-R331 PolarHBondContact OE2-NE 3.11Å; E305-R331 IonicContact OE2-NH2 3.63Å; E305-R331 PolarHBondContact OE2-NH2 2.88Å
306	G	83.6	Confident	83	Confident	34 Å²	34	73.8 Å²	73.8	35%	0.351	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.6	171.2	0	0	0	0	0	110.8	P308 P325	G306-P308 WeakPolarHBondContact O-CD 2.97Å; G306-P325 CarbonylContact C-O 3.58Å; G306-P325 WeakPolarHBondContact CA-O 3.48Å
307	L	81.5	Confident	81	Confident	70 Å²	70	75.9 Å²	75.9	37%	0.366	37%	0.374	S	S	.	.			trans	-76.4	118.6	169.6	-80.3	161	0	0	0	107.9	E305 V309 Q324 P325 I327	E305-L307 PolarHBondContact O-N 3.1Å; L307-V309 PolarHBondContact O-N 3.22Å; L307-Q324 WeakPolarHBondContact O-CG 3.44Å; L307-Q324 PolarHBondContact O-NE2 3.27Å; L307-P325 HydrophobicContact CB-CB 4.49Å; L307-P325 HydrophobicContact CB-CG 4.2Å; L307-P325 HydrophobicContact CD1-CB 4.37Å; L307-P325 PolarHBondContact N-O 2.92Å; L307-I327 HydrophobicContact CD1-CB 3.92Å; L307-I327 HydrophobicContact CD1-CG2 4.44Å; L307-I327 HydrophobicContact CD2-CB 4.06Å; L307-I327 HydrophobicContact CD2-CD1 4.36Å; L307-I327 HydrophobicContact CD2-CG2 3.79Å; L307-I327 HydrophobicContact CG-CB 3.85Å; L307-I327 HydrophobicContact CG-CG2 3.81Å
308	P	73.8	Confident	79	Confident	119 Å²	119	81.5 Å²	81.5	77%	0.773	41%	0.41	S	S	*	.			trans	-65.5	111	172.1	26.1	-30.8	0	0	0	108.3	G306	G306-P308 WeakPolarHBondContact O-CD 2.97Å
309	V	71	Confident	77.1	Confident	36 Å²	36	86.9 Å²	86.9	22%	0.218	44%	0.443	C	S	.	.			trans	-87.7	131.6	175.9	-176.4	0	0	0	0	107.7	L307 N311 F313 Q314 V320 P325	L307-V309 PolarHBondContact O-N 3.22Å; V309-N311 PolarHBondContact O-N 2.83Å; V309-F313 HydrophobicContact CG1-CB 3.69Å; V309-Q314 HydrophobicContact CB-CG 4.31Å; V309-Q314 HydrophobicContact CG1-CG 4.32Å; V309-Q314 PolarHBondContact O-NE2 2.84Å; V309-V320 HydrophobicContact CG1-CG1 4.34Å; V309-V320 HydrophobicContact CG2-CG1 4.41Å; V309-P325 HydrophobicContact CG2-CG 3.31Å
310	N	78.1	Confident	75	Confident	93 Å²	93	89 Å²	89	50%	0.497	46%	0.456	S	S	.	.			trans	-57.1	138.1	176	-176.8	-58.4	0	0	0	110.6	I312 F313 Q314	N310-I312 PolarHBondContact O-N 2.81Å; N310-I312 WeakPolarHBondContact OD1-CB 3.27Å; N310-I312 WeakPolarHBondContact OD1-CG1 3.11Å; N310-I312 PolarHBondContact OD1-N 3.44Å; N310-F313 HydrophobicContact CB-CD2 3.95Å; N310-F313 HydrophobicContact CB-CE2 4.27Å; N310-F313 PolarHBondContact O-N 3.41Å; N310-Q314 PolarHBondContact O-N 3.19Å
311	N	70.5	Confident	73	Confident	108 Å²	108	91 Å²	91	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-49.2	-32.1	-177.2	-63.9	-3.5	0	0	0	113.4	V309 F313 Q314 H315	V309-N311 PolarHBondContact O-N 2.83Å; N311-F313 VanDerWaalsContact C-N 3.28Å; N311-F313 PolarHBondContact O-N 2.77Å; N311-Q314 PolarHBondContact O-N 3.25Å; N311-H315 PolarHBondContact O-CD2 2.75Å
312	I	73.9	Confident	71.3	Confident	104 Å²	104	98.7 Å²	98.7	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-35.5	178.2	-62.8	169	0	0	0	112.3	N310	N310-I312 PolarHBondContact O-N 2.81Å; N310-I312 WeakPolarHBondContact OD1-CB 3.27Å; N310-I312 WeakPolarHBondContact OD1-CG1 3.11Å; N310-I312 PolarHBondContact OD1-N 3.44Å
313	F	70.3	Confident	70	Confident	128 Å²	128	106.2 Å²	106.2	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-89.1	-17	-179.3	-57.5	-70.3	0	0	0	113	V309 N310 N311 H315	V309-F313 HydrophobicContact CG1-CB 3.69Å; N310-F313 HydrophobicContact CB-CD2 3.95Å; N310-F313 HydrophobicContact CB-CE2 4.27Å; N310-F313 PolarHBondContact O-N 3.41Å; N311-F313 VanDerWaalsContact C-N 3.28Å; N311-F313 PolarHBondContact O-N 2.77Å; F313-H315 VanDerWaalsContact C-N 3.33Å
314	Q	65.3	Low	69.1	Low	86 Å²	86	105.4 Å²	105.4	40%	0.402	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-34.1	176.3	-63.4	178.7	6.8	0	0	111.6	V309 N310 N311	V309-Q314 HydrophobicContact CB-CG 4.31Å; V309-Q314 HydrophobicContact CG1-CG 4.32Å; V309-Q314 PolarHBondContact O-NE2 2.84Å; N310-Q314 PolarHBondContact O-N 3.19Å; N311-Q314 PolarHBondContact O-N 3.25Å
315	H	61.9	Low	68.6	Low	165 Å²	165	100.7 Å²	100.7	76%	0.764	54%	0.537	S	S	*	.	S	Bend	trans	-87.2	-10.7	-178.8	-61.6	-61.3	0	0	0	114.9	N311 F313	N311-H315 PolarHBondContact O-CD2 2.75Å; F313-H315 VanDerWaalsContact C-N 3.33Å
316	R	62.4	Low	68.6	Low	210 Å²	210	101.6 Å²	101.6	79%	0.792	55%	0.546	S	S	*	.	S	Bend	trans	-102.7	-4.7	-172.7	-74.2	-172.6	178	-153.2	0.7	115
317	S	55.9	Low	68.9	Low	45 Å²	45	103.9 Å²	103.9	32%	0.315	55%	0.549	S	S	.	.			trans	-136.7	119	-179.9	-180	0	0	0	0	111.3	V319 V320	S317-V319 PolarHBondContact O-N 3.41Å; S317-V319 VanDerWaalsContact O-N 3.15Å; S317-V319 PolarHBondContact OG-N 2.77Å; S317-V320 PolarHBondContact O-N 2.88Å
318	P	55.6	Low	69.4	Low	118 Å²	118	104.2 Å²	104.2	77%	0.766	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-19.3	177.6	23.9	-30.9	0	0	0	112.8
319	V	56.4	Low	70.3	Confident	116 Å²	116	103.2 Å²	103.2	70%	0.703	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-25.7	179.4	-175.2	0	0	0	0	112.6	S317	S317-V319 PolarHBondContact O-N 3.41Å; S317-V319 VanDerWaalsContact O-N 3.15Å; S317-V319 PolarHBondContact OG-N 2.77Å
320	V	54	Low	71.5	Confident	45 Å²	45	102.3 Å²	102.3	27%	0.273	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.7	-179.3	179.6	0	0	0	0	111.8	V309 S317	V309-V320 HydrophobicContact CG1-CG1 4.34Å; V309-V320 HydrophobicContact CG2-CG1 4.41Å; S317-V320 PolarHBondContact O-N 2.88Å
321	G	55.3	Low	72.3	Confident	66 Å²	66	102.5 Å²	102.5	68%	0.68	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.5	178.9	0	0	0	0	0	115
322	E	60.6	Low	73.5	Confident	174 Å²	174	99.4 Å²	99.4	81%	0.813	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-32.8	-173.8	-70.8	-171.4	165.9	0	0	114.5
323	K	67.4	Low	74.4	Confident	180 Å²	180	97.2 Å²	97.2	78%	0.783	49%	0.493	S	S	*	.	S	Bend	trans	-145.3	122.4	176.5	-72.8	-175.8	-178.5	170.7	0	111.3
324	Q	73.4	Confident	75.6	Confident	115 Å²	115	92.4 Å²	92.4	54%	0.537	48%	0.475	S	S	.	.			trans	-59	130.6	175.2	-169.5	179.3	5.5	0	0	110.3	L307	L307-Q324 WeakPolarHBondContact O-CG 3.44Å; L307-Q324 PolarHBondContact O-NE2 3.27Å
325	P	81.8	Confident	77.1	Confident	52 Å²	52	90.3 Å²	90.3	34%	0.338	47%	0.467	S	S	.	.			trans	-59.9	150.8	174.6	23.7	-31.5	0	0	0	110	G306 L307 V309	G306-P325 CarbonylContact C-O 3.58Å; G306-P325 WeakPolarHBondContact CA-O 3.48Å; L307-P325 HydrophobicContact CB-CB 4.49Å; L307-P325 HydrophobicContact CB-CG 4.2Å; L307-P325 HydrophobicContact CD1-CB 4.37Å; L307-P325 PolarHBondContact N-O 2.92Å; V309-P325 HydrophobicContact CG2-CG 3.31Å
326	T	87.1	Confident	78.7	Confident	69 Å²	69	83 Å²	83	42%	0.423	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.6	-174.6	47.1	0	0	0	0	111.2	K304 E305	K304-T326 VanDerWaalsContact CE-CB 3.48Å; K304-T326 WeakPolarHBondContact CE-OG1 3.4Å; K304-T326 HydrophobicContact CG-CG2 4.15Å; E305-T326 CarbonylContact O-C 3.59Å; E305-T326 WeakPolarHBondContact O-CA 3.31Å; E305-T326 WeakPolarHBondContact O-CB 3.42Å
327	I	90.5	Very high	80.1	Confident	82 Å²	82	75.2 Å²	75.2	42%	0.421	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.6	175.8	-167.6	166.2	0	0	0	110	K304 E305 L307	K304-I327 WeakPolarHBondContact CA-O 3.46Å; E305-I327 PolarHBondContact N-O 3.06Å; E305-I327 PolarHBondContact O-N 3.42Å; L307-I327 HydrophobicContact CD1-CB 3.92Å; L307-I327 HydrophobicContact CD1-CG2 4.44Å; L307-I327 HydrophobicContact CD2-CB 4.06Å; L307-I327 HydrophobicContact CD2-CD1 4.36Å; L307-I327 HydrophobicContact CD2-CG2 3.79Å; L307-I327 HydrophobicContact CG-CB 3.85Å; L307-I327 HydrophobicContact CG-CG2 3.81Å
328	L	92.3	Very high	81.9	Confident	78 Å²	78	77.2 Å²	77.2	41%	0.408	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.8	168.3	-68.6	174.8	0	0	0	109.5	P252 L302 R303 K304	P252-L328 HydrophobicContact CG-CB 3.92Å; P252-L328 WeakPolarHBondContact CG-O 3.22Å; L302-L328 HydrophobicContact CD1-CB 4.08Å; L302-L328 HydrophobicContact CD2-CD1 4.37Å; L302-L328 HydrophobicContact CG-CB 4.35Å; L302-L328 HydrophobicContact CG-CD2 4.45Å; R303-L328 CarbonylContact O-C 3.5Å; R303-L328 WeakPolarHBondContact O-CA 3.38Å; K304-L328 HydrophobicContact CB-CD2 4.08Å
329	K	93.4	Very high	83.8	Confident	97 Å²	97	73.1 Å²	73.1	42%	0.422	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.7	-179.2	-175	174.5	178.7	178.5	0	110.8	R303	R303-K329 PolarHBondContact N-O 2.9Å; R303-K329 PolarHBondContact O-N 3.42Å
330	W	96.2	Very high	85.7	Confident	17 Å²	17	71.3 Å²	71.3	6%	0.064	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.9	172.1	-70.3	102	0	0	0	111.2	F232 P252 L254 V285 W300 S301 L302	F232-W330 HydrophobicContact CD1-CH2 4.41Å; F232-W330 AromaticContact CD1-CZ2 3.66Å; F232-W330 HydrophobicContact CD1-CZ2 3.66Å; F232-W330 AromaticContact CD2-CE2 3.94Å; F232-W330 AromaticContact CD2-CZ2 3.99Å; F232-W330 HydrophobicContact CD2-CZ2 3.99Å; F232-W330 AromaticContact CD2-NE1 3.53Å; F232-W330 AromaticContact CE1-CH2 3.83Å; F232-W330 HydrophobicContact CE1-CH2 3.83Å; F232-W330 AromaticContact CE1-CZ2 3.39Å; F232-W330 HydrophobicContact CE1-CZ2 3.39Å; F232-W330 AromaticContact CE2-CE2 3.66Å; F232-W330 AromaticContact CE2-CZ2 3.77Å; F232-W330 HydrophobicContact CE2-CZ2 3.77Å; F232-W330 AromaticContact CE2-NE1 3.54Å; F232-W330 AromaticContact CG-CZ2 3.95Å; F232-W330 HydrophobicContact CG-CZ2 3.95Å; F232-W330 AromaticContact CZ-CE2 3.79Å; F232-W330 AromaticContact CZ-CH2 3.99Å; F232-W330 HydrophobicContact CZ-CH2 3.99Å; F232-W330 AromaticContact CZ-CZ2 3.46Å; F232-W330 HydrophobicContact CZ-CZ2 3.46Å; F232-W330 VanDerWaalsContact CZ-CZ2 3.46Å; P252-W330 VanDerWaalsContact O-CD1 3.29Å; P252-W330 PolarHBondContact O-NE1 2.68Å; L254-W330 HydrophobicContact CB-CB 4.2Å; L254-W330 HydrophobicContact CB-CG 3.99Å; L254-W330 HydrophobicContact CD1-CB 3.66Å; L254-W330 HydrophobicContact CD1-CD2 4.07Å; L254-W330 HydrophobicContact CD1-CE3 4.27Å; L254-W330 HydrophobicContact CD1-CG 3.81Å; L254-W330 HydrophobicContact CG-CB 4.38Å; V285-W330 HydrophobicContact CB-CH2 4.45Å; V285-W330 HydrophobicContact CB-CZ3 4.39Å; V285-W330 HydrophobicContact CG1-CE3 4.23Å; V285-W330 HydrophobicContact CG1-CH2 4.07Å; V285-W330 HydrophobicContact CG1-CZ3 3.7Å; W300-W330 HydrophobicContact CB-CE3 4.08Å; W300-W330 HydrophobicContact CE3-CB 4.21Å; S301-W330 VanDerWaalsContact C-CE3 3.47Å; L302-W330 HydrophobicContact CB-CD2 4.1Å; L302-W330 HydrophobicContact CB-CE3 3.94Å; L302-W330 HydrophobicContact CB-CH2 3.95Å; L302-W330 HydrophobicContact CB-CZ2 4.11Å; L302-W330 HydrophobicContact CB-CZ3 3.86Å; L302-W330 HydrophobicContact CD1-CD2 3.92Å; L302-W330 HydrophobicContact CD1-CG 3.99Å; L302-W330 HydrophobicContact CD1-CZ2 4.36Å; L302-W330 HydrophobicContact CD2-CZ2 4.47Å; L302-W330 VanDerWaalsContact N-CE3 3.32Å
331	R	95	Very high	87.7	Confident	97 Å²	97	73.1 Å²	73.1	37%	0.366	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.9	175.8	-68.1	-61.9	-173	162	4.2	109.9	W300 S301 E305 L333	W300-R331 WeakPolarHBondContact CA-O 3.17Å; S301-R331 PolarHBondContact N-O 2.8Å; S301-R331 PolarHBondContact O-N 2.92Å; E305-R331 VanDerWaalsContact CD-NH2 3.32Å; E305-R331 WeakPolarHBondContact OE1-CG 3.35Å; E305-R331 IonicContact OE1-CZ 3.88Å; E305-R331 VanDerWaalsContact OE1-CZ 3.26Å; E305-R331 IonicContact OE1-NE 2.95Å; E305-R331 PolarHBondContact OE1-NE 3.41Å; E305-R331 IonicContact OE1-NH2 2.76Å; E305-R331 PolarHBondContact OE1-NH2 3Å; E305-R331 VanDerWaalsContact OE1-NH2 3.14Å; E305-R331 IonicContact OE2-CZ 3.31Å; E305-R331 IonicContact OE2-NE 2.93Å; E305-R331 PolarHBondContact OE2-NE 3.11Å; E305-R331 IonicContact OE2-NH2 3.63Å; E305-R331 PolarHBondContact OE2-NH2 2.88Å; R331-L333 PolarHBondContact O-N 3.18Å
332	I	94.3	Very high	89.7	Confident	44 Å²	44	70.2 Å²	70.2	23%	0.226	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.3	174	-165.5	169.5	0	0	0	108.4	R257 E298 W300	R257-I332 HydrophobicContact CB-CD1 3.8Å; R257-I332 VanDerWaalsContact CD-CD1 3.46Å; R257-I332 HydrophobicContact CG-CD1 4.3Å; E298-I332 HydrophobicContact CB-CD1 4.35Å; E298-I332 HydrophobicContact CG-CD1 4.35Å; W300-I332 HydrophobicContact CD2-CB 3.86Å; W300-I332 HydrophobicContact CD2-CG1 4.12Å; W300-I332 VanDerWaalsContact CE3-CA 3.47Å; W300-I332 HydrophobicContact CE3-CB 3.79Å; W300-I332 HydrophobicContact CH2-CB 3.91Å; W300-I332 HydrophobicContact CZ2-CB 3.95Å; W300-I332 HydrophobicContact CZ2-CD1 4.04Å; W300-I332 HydrophobicContact CZ2-CG1 4.17Å; W300-I332 HydrophobicContact CZ3-CB 3.83Å
333	L	93.9	Very high	91.3	Very high	57 Å²	57	62.6 Å²	62.6	30%	0.298	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-48.5	172.8	-68	-179.9	0	0	0	110	C299 R331 L388	C299-L333 WeakPolarHBondContact O-CB 3.36Å; C299-L333 PolarHBondContact O-N 3.01Å; R331-L333 PolarHBondContact O-N 3.18Å; L333-L388 HydrophobicContact CD1-CD2 4.37Å
334	T	95.8	Very high	92.7	Very high	28 Å²	28	54.3 Å²	54.3	17%	0.172	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	162.9	-176.8	-174	0	0	0	0	110.5	C299 L388 S389 L390	C299-T334 HydrophobicContact CB-CG2 3.74Å; C299-T334 PolarHBondContact N-O 3.39Å; C299-T334 PolarHBondContact O-N 3.33Å; T334-L388 WeakPolarHBondContact CG2-O 3.49Å; T334-S389 PolarHBondContact OG1-O 2.82Å; T334-L390 HydrophobicContact CG2-CB 3.93Å; T334-L390 HydrophobicContact CG2-CD1 3.66Å; T334-L390 HydrophobicContact CG2-CG 3.48Å; T334-L390 VanDerWaalsContact CG2-CG 3.48Å
335	T	95.3	Very high	93.8	Very high	41 Å²	41	49.9 Å²	49.9	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.4	174	-179	0	0	0	0	108.8	V297	V297-T335 CarbonylContact O-C 3.53Å; V297-T335 WeakPolarHBondContact O-CA 3.14Å
336	T	96.1	Very high	94.5	Very high	13 Å²	13	47.5 Å²	47.5	8%	0.08	25%	0.249	C	C	.	.			trans	-75	166.5	169.8	64.2	0	0	0	0	110.8	V297 L339 L385 L390	V297-T336 HydrophobicContact CB-CG2 3.92Å; V297-T336 PolarHBondContact N-OG1 3.13Å; V297-T336 PolarHBondContact O-N 2.92Å; V297-T336 PolarHBondContact O-OG1 3.38Å; T336-L339 HydrophobicContact CG2-CD1 4.08Å; T336-L385 HydrophobicContact CG2-CD1 4.16Å; T336-L390 HydrophobicContact CG2-CB 3.91Å; T336-L390 HydrophobicContact CG2-CD1 3.88Å; T336-L390 HydrophobicContact CG2-CG 4.48Å
337	G	92.3	Very high	95	Very high	45 Å²	45	45.7 Å²	45.7	46%	0.464	24%	0.237	S	C	.	.			trans	-69.6	-170.9	156.9	0	0	0	0	0	111.5	L339	G337-L339 PolarHBondContact O-N 2.99Å
338	D	93.3	Very high	95.2	Very high	88 Å²	88	42.1 Å²	42.1	47%	0.471	22%	0.219	S	C	.	.	S	Bend	trans	-67.4	125.6	171.6	-61.3	-35.8	0	0	0	109.3	K267 Y268	K267-D338 IonicContact NZ-OD1 3.49Å; K267-D338 PolarHBondContact NZ-OD1 3.48Å; K267-D338 IonicContact NZ-OD2 2.66Å; K267-D338 PolarHBondContact NZ-OD2 2.87Å; Y268-D338 WeakPolarHBondContact OH-CB 3.44Å; Y268-D338 PolarHBondContact OH-OD1 3.01Å
339	L	95.9	Very high	95.2	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.168	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-110.3	162.1	178.6	-57.7	175.6	0	0	0	110.4	G294 S295 V297 T336 G337 L375 F377	G294-L339 CarbonylContact C-O 3.54Å; G294-L339 WeakPolarHBondContact CA-O 3.48Å; S295-L339 PolarHBondContact N-O 3.49Å; S295-L339 WeakPolarHBondContact O-CB 3.5Å; S295-L339 PolarHBondContact O-N 2.8Å; V297-L339 HydrophobicContact CG2-CD1 3.97Å; T336-L339 HydrophobicContact CG2-CD1 4.08Å; G337-L339 PolarHBondContact O-N 2.99Å; L339-L375 HydrophobicContact CD1-CD1 4.09Å; L339-F377 HydrophobicContact CB-CE1 3.97Å; L339-F377 HydrophobicContact CD1-CE1 4.27Å; L339-F377 HydrophobicContact CD1-CZ 4.44Å
340	E	95.6	Very high	95.2	Very high	78 Å²	78	36.4 Å²	36.4	36%	0.364	19%	0.191	S	C	.	.	S	Bend	trans	-55.5	159.4	160.3	-176.5	51.9	-135.3	0	0	110.3	V342 F377 D379	E340-V342 PolarHBondContact O-N 3.43Å; E340-V342 VanDerWaalsContact O-N 3.07Å; E340-F377 HydrophobicContact CB-CB 4.19Å; E340-F377 HydrophobicContact CB-CD1 3.72Å; E340-F377 HydrophobicContact CB-CE1 4.46Å; E340-F377 HydrophobicContact CB-CG 4.18Å; E340-F377 HydrophobicContact CG-CB 3.9Å; E340-F377 HydrophobicContact CG-CD1 4.27Å; E340-F377 HydrophobicContact CG-CG 4.43Å; E340-F377 VanDerWaalsContact O-CD1 3.26Å; E340-F377 WeakPolarHBondContact O-CD1 3.36Å; E340-F377 WeakPolarHBondContact O-CE1 3.32Å; E340-D379 HydrophobicContact CG-CB 4.08Å
341	R	95.6	Very high	95	Very high	83 Å²	83	36.8 Å²	36.8	31%	0.313	20%	0.196	S	C	.	.			trans	-65.6	115.4	-176.2	-172.8	179.1	177.3	176.7	-0.5	111.3	N291 Q292 S343 F377 H378	N291-R341 WeakPolarHBondContact O-CD 3.36Å; N291-R341 PolarHBondContact O-NE 3.23Å; Q292-R341 WeakPolarHBondContact O-CD 3.32Å; Q292-R341 PolarHBondContact O-NH1 2.99Å; R341-S343 PolarHBondContact O-N 2.8Å; R341-F377 WeakPolarHBondContact O-CA 3.39Å; R341-H378 HydrophobicContact CB-CB 4.39Å; R341-H378 WeakPolarHBondContact CG-ND1 3.45Å; R341-H378 PolarHBondContact O-N 3.29Å; R341-H378 PolarHBondContact O-ND1 3.14Å
342	V	97.1	Very high	94.9	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	130	177.1	177.2	0	0	0	0	109.8	S295 V297 E340 V345 L375 A376 F377	S295-V342 PolarHBondContact OG-N 3.35Å; S295-V342 VanDerWaalsContact OG-N 3.1Å; V297-V342 HydrophobicContact CG2-CG2 4.48Å; E340-V342 PolarHBondContact O-N 3.43Å; E340-V342 VanDerWaalsContact O-N 3.07Å; V342-V345 HydrophobicContact CG1-CG2 3.92Å; V342-L375 HydrophobicContact CG1-CD2 4.43Å; V342-L375 HydrophobicContact CG2-CD1 4.34Å; V342-A376 CarbonylContact C-O 3.52Å; V342-A376 WeakPolarHBondContact CA-O 3.29Å; V342-F377 HydrophobicContact CG2-CD1 4.08Å; V342-F377 HydrophobicContact CG2-CE1 3.63Å; V342-F377 HydrophobicContact CG2-CZ 4.41Å
343	S	94.9	Very high	94.5	Very high	15 Å²	15	31.9 Å²	31.9	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-29	179	63.4	0	0	0	0	113.5	R341 A376 F421	R341-S343 PolarHBondContact O-N 2.8Å; S343-A376 PolarHBondContact N-O 3.25Å; S343-A376 WeakPolarHBondContact OG-CB 3.34Å; S343-A376 PolarHBondContact OG-O 3.36Å; S343-F421 VanDerWaalsContact CB-O 3.32Å; S343-F421 WeakPolarHBondContact CB-O 3.48Å; S343-F421 PolarHBondContact OG-O 3.46Å
344	A	95.9	Very high	94	Very high	5 Å²	5	32 Å²	32	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154	176.1	0	0	0	0	0	111.5	A376 L424	A344-A376 HydrophobicContact CB-CB 4.2Å; A344-A376 PolarHBondContact O-N 2.85Å; A344-L424 HydrophobicContact CB-CB 4.34Å; A344-L424 HydrophobicContact CB-CD1 4.47Å; A344-L424 HydrophobicContact CB-CG 4.11Å
345	V	97.3	Very high	93.5	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.139	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.4	178.4	-179.6	0	0	0	0	109.5	H273 L286 V342 L347 A374 L375	H273-V345 HydrophobicContact CB-CG2 4.09Å; L286-V345 HydrophobicContact CD2-CG1 3.97Å; V342-V345 HydrophobicContact CG1-CG2 3.92Å; V345-L347 HydrophobicContact CG1-CD2 4.49Å; V345-A374 WeakPolarHBondContact CA-O 3.23Å; V345-L375 HydrophobicContact CB-CD2 4.33Å; V345-L375 HydrophobicContact CG1-CD2 4.07Å; V345-L375 HydrophobicContact CG2-CD2 3.72Å
346	A	97.3	Very high	93.2	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.6	169.8	0	0	0	0	0	111	L373 A374 L424 F426 L433	A346-L373 WeakPolarHBondContact O-CA 3.03Å; A346-A374 HydrophobicContact CB-CB 4.33Å; A346-A374 PolarHBondContact N-O 3.46Å; A346-A374 PolarHBondContact O-N 3.17Å; A346-L424 HydrophobicContact CB-CB 3.72Å; A346-F426 HydrophobicContact CB-CD2 3.75Å; A346-F426 HydrophobicContact CB-CE2 4.09Å; A346-F426 WeakPolarHBondContact O-CE2 3.35Å; A346-L433 HydrophobicContact CB-CD1 3.99Å
347	L	96.4	Very high	92.8	Very high	30 Å²	30	40.2 Å²	40.2	16%	0.157	23%	0.226	C	C	.	.			trans	-100.6	147.2	177.3	-65.7	178.6	0	0	0	111.2	K275 F276 L277 L286 V345 L373	K275-L347 HydrophobicContact CB-CD1 3.73Å; K275-L347 HydrophobicContact CG-CD1 4.42Å; F276-L347 WeakPolarHBondContact O-CD1 3.46Å; L277-L347 HydrophobicContact CD2-CD2 4.12Å; L286-L347 HydrophobicContact CD2-CD2 4.33Å; V345-L347 HydrophobicContact CG1-CD2 4.49Å; L347-L373 HydrophobicContact CD2-CB 3.88Å; L347-L373 HydrophobicContact CD2-CD2 4.06Å
348	P	94.3	Very high	92.6	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.045	20%	0.204	C	C	.	.			trans	-68.1	142.4	176	27.7	-32.5	0	0	0	111	G370 G372	P348-G370 WeakPolarHBondContact CG-O 3.38Å; P348-G372 WeakPolarHBondContact CD-O 3.38Å; P348-G372 WeakPolarHBondContact CG-O 3.25Å
349	K	92.6	Very high	92.4	Very high	53 Å²	53	35.7 Å²	35.7	23%	0.23	19%	0.191	C	C	.	.			trans	-100.2	-15.5	179.2	-67.5	173.7	-177.5	158.1	0	113.6	W27 F426 W428	W27-K349 PolarHBondContact O-NZ 3.14Å; K349-F426 PolarHBondContact NZ-O 3.47Å; K349-F426 VanDerWaalsContact NZ-O 3.11Å; K349-W428 HydrophobicContact CB-CD2 4.31Å; K349-W428 HydrophobicContact CB-CE3 4.37Å; K349-W428 HydrophobicContact CD-CD2 4.23Å; K349-W428 HydrophobicContact CD-CG 4.3Å
350	L	94.1	Very high	92.2	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	-68.1	123	-179.7	-170.5	67.9	0	0	0	109.8	L136 I352 F367 P369 W428 L467 Y470	L136-L350 HydrophobicContact CD1-CD1 3.94Å; L136-L350 HydrophobicContact CD1-CD2 4.27Å; L136-L350 HydrophobicContact CD1-CG 4.24Å; L350-I352 HydrophobicContact CD2-CD1 4.01Å; L350-I352 HydrophobicContact CD2-CG1 4Å; L350-I352 HydrophobicContact CG-CG1 4.05Å; L350-I352 PolarHBondContact O-N 3.42Å; L350-F367 HydrophobicContact CD2-CZ 4.48Å; L350-P369 HydrophobicContact CD2-CB 3.82Å; L350-W428 PolarHBondContact N-O 3.03Å; L350-L467 HydrophobicContact CD1-CD2 4.45Å; L350-L467 HydrophobicContact CD2-CD2 3.94Å; L350-Y470 HydrophobicContact CD1-CD1 3.88Å; L350-Y470 HydrophobicContact CD1-CE1 3.54Å
351	P	92.1	Very high	91.9	Very high	26 Å²	26	39 Å²	39	17%	0.169	21%	0.207	C	C	.	.			trans	-86	65.5	-170	36.3	-36.6	0	0	0	111.3	L134 L136 Y470	L134-P351 WeakPolarHBondContact O-CB 3.19Å; L134-P351 VanDerWaalsContact O-CG 3.24Å; L134-P351 WeakPolarHBondContact O-CG 3.44Å; L136-P351 PolarHBondContact N-O 3.17Å; P351-Y470 WeakPolarHBondContact CD-OH 3.38Å; P351-Y470 HydrophobicContact CG-CE2 4.48Å; P351-Y470 WeakPolarHBondContact CG-OH 3.45Å
352	I	92.4	Very high	91.6	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.056	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-67.5	132.9	176.5	-62.7	-166	0	0	0	110.1	L136 V138 L350 I354 F367 P369 L371	L136-I352 HydrophobicContact CD2-CG1 4.25Å; V138-I352 HydrophobicContact CG2-CD1 4.28Å; V138-I352 HydrophobicContact CG2-CG2 3.98Å; L350-I352 HydrophobicContact CD2-CD1 4.01Å; L350-I352 HydrophobicContact CD2-CG1 4Å; L350-I352 HydrophobicContact CG-CG1 4.05Å; L350-I352 PolarHBondContact O-N 3.42Å; I352-I354 PolarHBondContact O-N 3.27Å; I352-F367 HydrophobicContact CD1-CD1 4.34Å; I352-F367 HydrophobicContact CD1-CE1 3.79Å; I352-P369 WeakPolarHBondContact CD1-O 3.28Å; I352-L371 HydrophobicContact CD1-CD2 4.46Å; I352-L371 HydrophobicContact CD1-CG 4.5Å; I352-L371 HydrophobicContact CG2-CD2 4.33Å
353	S	85.8	Confident	91.2	Very high	27 Å²	27	38.2 Å²	38.2	19%	0.189	21%	0.214	C	C	.	.			trans	-61.7	123.3	167.5	170.6	0	0	0	0	109.9	L136 S355 D358	L136-S353 PolarHBondContact O-N 3.15Å; S353-S355 PolarHBondContact O-N 2.91Å; S353-D358 WeakPolarHBondContact CB-OD2 3.42Å; S353-D358 WeakPolarHBondContact O-CB 3.46Å; S353-D358 PolarHBondContact OG-OD2 3.45Å
354	I	84.6	Confident	91	Very high	58 Å²	58	42.4 Å²	42.4	30%	0.297	24%	0.235	S	C	.	.			trans	-91.1	28.4	-179.6	56.1	168.3	0	0	0	112.1	I352	I352-I354 PolarHBondContact O-N 3.27Å
355	S	85.4	Confident	90.7	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	24%	0.242	S	C	.	.			trans	-64.9	152.4	173.3	82	0	0	0	0	110	S353 T357 D358 L359	S353-S355 PolarHBondContact O-N 2.91Å; S355-T357 PolarHBondContact O-N 3.47Å; S355-T357 PolarHBondContact OG-OG1 2.96Å; S355-D358 WeakPolarHBondContact CB-OD2 3.45Å; S355-D358 PolarHBondContact O-N 2.96Å; S355-D358 WeakPolarHBondContact OG-CB 3.39Å; S355-D358 VanDerWaalsContact OG-CG 3.24Å; S355-D358 PolarHBondContact OG-N 3.41Å; S355-D358 PolarHBondContact OG-OD2 3.27Å; S355-L359 WeakPolarHBondContact O-CG 3.5Å; S355-L359 PolarHBondContact O-N 3Å
356	N	88.3	Confident	90.6	Very high	142 Å²	142	46.1 Å²	46.1	76%	0.759	25%	0.251	S	S	*	.	H	α-helix	trans	-60.4	-32.1	178.2	-74.5	-22.9	0	0	0	112	K360	N356-K360 VanDerWaalsContact O-CB 3.31Å; N356-K360 WeakPolarHBondContact O-CB 3.48Å; N356-K360 PolarHBondContact O-N 3.09Å; N356-K360 VanDerWaalsContact O-N 3.08Å
357	T	88.4	Confident	90.5	Very high	75 Å²	75	46.1 Å²	46.1	46%	0.46	25%	0.251	S	S	.	.	H	α-helix	trans	-72.2	-45.6	178.5	48.1	0	0	0	0	111.1	E139 S355 L359 K360 V361	E139-T357 WeakPolarHBondContact OE2-CB 3.3Å; E139-T357 PolarHBondContact OE2-OG1 2.92Å; S355-T357 PolarHBondContact O-N 3.47Å; S355-T357 PolarHBondContact OG-OG1 2.96Å; T357-L359 PolarHBondContact O-N 3.18Å; T357-K360 PolarHBondContact O-N 3.1Å; T357-V361 WeakPolarHBondContact O-CG2 3.34Å; T357-V361 PolarHBondContact O-N 3.09Å
358	D	87.4	Confident	90.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-46.4	174.7	-76.2	-62.8	0	0	0	112.1	H137 V138 E139 S353 S355 K360 V361 A362	H137-D358 WeakPolarHBondContact CA-OD1 3.28Å; V138-D358 PolarHBondContact N-OD1 3.36Å; E139-D358 PolarHBondContact N-OD1 2.56Å; S353-D358 WeakPolarHBondContact CB-OD2 3.42Å; S353-D358 WeakPolarHBondContact O-CB 3.46Å; S353-D358 PolarHBondContact OG-OD2 3.45Å; S355-D358 WeakPolarHBondContact CB-OD2 3.45Å; S355-D358 PolarHBondContact O-N 2.96Å; S355-D358 WeakPolarHBondContact OG-CB 3.39Å; S355-D358 VanDerWaalsContact OG-CG 3.24Å; S355-D358 PolarHBondContact OG-N 3.41Å; S355-D358 PolarHBondContact OG-OD2 3.27Å; D358-K360 VanDerWaalsContact C-N 3.3Å; D358-K360 PolarHBondContact O-N 3.17Å; D358-V361 PolarHBondContact O-N 3.08Å; D358-A362 VanDerWaalsContact O-CB 3.25Å; D358-A362 WeakPolarHBondContact O-CB 3.27Å; D358-A362 PolarHBondContact O-N 3.5Å
359	L	89.5	Confident	90.4	Very high	37 Å²	37	45 Å²	45	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-38.8	178.2	-69.3	175.1	0	0	0	111.8	S355 T357 S363 L371 L388	S355-L359 WeakPolarHBondContact O-CG 3.5Å; S355-L359 PolarHBondContact O-N 3Å; T357-L359 PolarHBondContact O-N 3.18Å; L359-S363 WeakPolarHBondContact O-CB 3.47Å; L359-S363 PolarHBondContact O-N 2.83Å; L359-L371 HydrophobicContact CD2-CD2 3.76Å; L359-L388 HydrophobicContact CD1-CD1 4.21Å
360	K	91.1	Very high	90.4	Very high	139 Å²	139	42.5 Å²	42.5	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-65	-51.2	175.4	-176.2	-178.1	176.7	-173.4	0	111	N356 T357 D358 A362 S363 D364	N356-K360 VanDerWaalsContact O-CB 3.31Å; N356-K360 WeakPolarHBondContact O-CB 3.48Å; N356-K360 PolarHBondContact O-N 3.09Å; N356-K360 VanDerWaalsContact O-N 3.08Å; T357-K360 PolarHBondContact O-N 3.1Å; D358-K360 VanDerWaalsContact C-N 3.3Å; D358-K360 PolarHBondContact O-N 3.17Å; K360-A362 VanDerWaalsContact C-N 3.32Å; K360-A362 PolarHBondContact O-N 2.75Å; K360-S363 WeakPolarHBondContact O-CB 3.46Å; K360-S363 PolarHBondContact O-N 3.18Å; K360-S363 VanDerWaalsContact O-N 3.12Å; K360-D364 VanDerWaalsContact O-CG 3.3Å; K360-D364 PolarHBondContact O-N 3.25Å
361	V	89.9	Confident	90.4	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.255	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-42.9	179.9	175.5	0	0	0	0	110.8	V138 E139 T357 D358 S363 D364 T365	V138-V361 HydrophobicContact CG1-CG1 4.33Å; E139-V361 HydrophobicContact CB-CB 4.45Å; E139-V361 HydrophobicContact CB-CG2 3.99Å; T357-V361 WeakPolarHBondContact O-CG2 3.34Å; T357-V361 PolarHBondContact O-N 3.09Å; D358-V361 PolarHBondContact O-N 3.08Å; V361-S363 VanDerWaalsContact C-N 3.3Å; V361-S363 PolarHBondContact O-N 3.25Å; V361-D364 PolarHBondContact O-N 2.99Å; V361-T365 HydrophobicContact CG1-CG2 4.05Å; V361-T365 WeakPolarHBondContact O-CB 3.47Å; V361-T365 WeakPolarHBondContact O-CG2 3.5Å; V361-T365 PolarHBondContact O-N 2.95Å; V361-T365 PolarHBondContact O-OG1 3.46Å
362	A	88.6	Confident	90.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-38.6	176.7	0	0	0	0	0	112.5	V138 D358 K360 K366 F367 L371	V138-A362 HydrophobicContact CG1-CB 4.01Å; D358-A362 VanDerWaalsContact O-CB 3.25Å; D358-A362 WeakPolarHBondContact O-CB 3.27Å; D358-A362 PolarHBondContact O-N 3.5Å; K360-A362 VanDerWaalsContact C-N 3.32Å; K360-A362 PolarHBondContact O-N 2.75Å; A362-K366 CarbonylContact O-C 3.44Å; A362-K366 WeakPolarHBondContact O-CA 3.42Å; A362-K366 PolarHBondContact O-N 3.37Å; A362-F367 HydrophobicContact CB-CB 4.48Å; A362-F367 PolarHBondContact O-N 3.41Å; A362-L371 HydrophobicContact CB-CD1 3.76Å
363	S	89.9	Confident	90.6	Very high	68 Å²	68	41.2 Å²	41.2	48%	0.476	23%	0.227	S	C	.	.	H	α-helix	trans	-69.3	-35.3	174.1	175.7	0	0	0	0	113.2	L359 K360 V361 K366	L359-S363 WeakPolarHBondContact O-CB 3.47Å; L359-S363 PolarHBondContact O-N 2.83Å; K360-S363 WeakPolarHBondContact O-CB 3.46Å; K360-S363 PolarHBondContact O-N 3.18Å; K360-S363 VanDerWaalsContact O-N 3.12Å; V361-S363 VanDerWaalsContact C-N 3.3Å; V361-S363 PolarHBondContact O-N 3.25Å; S363-K366 VanDerWaalsContact O-CD 3.26Å; S363-K366 WeakPolarHBondContact O-CD 3.25Å; S363-K366 PolarHBondContact O-NZ 3.45Å
364	D	90.7	Very high	91.2	Very high	104 Å²	104	40 Å²	40	56%	0.556	22%	0.218	S	C	*	.	H	α-helix	trans	-74.9	-40.4	179.8	-69.8	-15.6	0	0	0	111	K360 V361	K360-D364 VanDerWaalsContact O-CG 3.3Å; K360-D364 PolarHBondContact O-N 3.25Å; V361-D364 PolarHBondContact O-N 2.99Å
365	T	89.6	Confident	91.8	Very high	32 Å²	32	37.2 Å²	37.2	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-85.5	-9.1	178.7	61.9	0	0	0	0	113.9	V361 F367 H463	V361-T365 HydrophobicContact CG1-CG2 4.05Å; V361-T365 WeakPolarHBondContact O-CB 3.47Å; V361-T365 WeakPolarHBondContact O-CG2 3.5Å; V361-T365 PolarHBondContact O-N 2.95Å; V361-T365 PolarHBondContact O-OG1 3.46Å; T365-F367 VanDerWaalsContact C-N 3.28Å; T365-F367 PolarHBondContact O-N 3.37Å; T365-H463 PolarHBondContact O-CE1 3.29Å; T365-H463 PolarHBondContact O-NE2 3.43Å
366	K	94	Very high	92.3	Very high	73 Å²	73	35.4 Å²	35.4	32%	0.317	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	33.7	-173.8	-46.2	-49.1	-171.2	-165.6	0	112.9	A362 S363 C368 S450 L455	A362-K366 CarbonylContact O-C 3.44Å; A362-K366 WeakPolarHBondContact O-CA 3.42Å; A362-K366 PolarHBondContact O-N 3.37Å; S363-K366 VanDerWaalsContact O-CD 3.26Å; S363-K366 WeakPolarHBondContact O-CD 3.25Å; S363-K366 PolarHBondContact O-NZ 3.45Å; K366-C368 PolarHBondContact O-N 3.36Å; K366-S450 WeakPolarHBondContact O-CA 3.45Å; K366-L455 HydrophobicContact CB-CD2 3.8Å; K366-L455 HydrophobicContact CG-CD2 3.92Å
367	F	94.7	Very high	92.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	16%	0.155	C	C	.	.			trans	-82.9	96.1	171.5	-174	-97.8	0	0	0	109.6	V138 L350 I352 A362 T365 P369 L371 H463 F466 L467	V138-F367 HydrophobicContact CG1-CB 4.29Å; V138-F367 HydrophobicContact CG1-CD1 3.92Å; V138-F367 HydrophobicContact CG1-CG 4.26Å; V138-F367 HydrophobicContact CG2-CD1 3.86Å; V138-F367 HydrophobicContact CG2-CE1 3.93Å; L350-F367 HydrophobicContact CD2-CZ 4.48Å; I352-F367 HydrophobicContact CD1-CD1 4.34Å; I352-F367 HydrophobicContact CD1-CE1 3.79Å; A362-F367 HydrophobicContact CB-CB 4.48Å; A362-F367 PolarHBondContact O-N 3.41Å; T365-F367 VanDerWaalsContact C-N 3.28Å; T365-F367 PolarHBondContact O-N 3.37Å; F367-P369 VanDerWaalsContact C-CD 3.43Å; F367-P369 HydrophobicContact CD2-CG 4.18Å; F367-P369 HydrophobicContact CE1-CB 4.11Å; F367-P369 HydrophobicContact CE1-CG 4.2Å; F367-P369 HydrophobicContact CE2-CB 4.4Å; F367-P369 HydrophobicContact CE2-CG 3.76Å; F367-P369 HydrophobicContact CZ-CB 3.9Å; F367-P369 HydrophobicContact CZ-CG 3.78Å; F367-L371 WeakPolarHBondContact O-CD1 3.41Å; F367-H463 HydrophobicContact CD2-CB 4.09Å; F367-H463 AromaticContact CD2-CD2 3.68Å; F367-H463 AromaticContact CD2-CG 3.76Å; F367-H463 HydrophobicContact CE2-CB 4.37Å; F367-F466 HydrophobicContact CE2-CD1 4.07Å; F367-F466 HydrophobicContact CZ-CD1 4.02Å; F367-F466 HydrophobicContact CZ-CE1 4.29Å; F367-L467 HydrophobicContact CE2-CD1 4.38Å; F367-L467 HydrophobicContact CE2-CD2 4.4Å; F367-L467 HydrophobicContact CE2-CG 4.21Å; F367-L467 HydrophobicContact CZ-CD2 3.95Å; F367-L467 HydrophobicContact CZ-CG 4.27Å
368	C	94.1	Very high	92.8	Very high	12 Å²	12	27.4 Å²	27.4	8%	0.081	14%	0.144	C	C	.	.			trans	-94.5	-11	-179.8	-57.3	0	0	0	0	117.8	K366 G370 L371 M393 P449 M451	K366-C368 PolarHBondContact O-N 3.36Å; C368-G370 PolarHBondContact O-N 3.1Å; C368-L371 PolarHBondContact O-N 2.79Å; C368-M393 HydrophobicContact CB-CE 3.78Å; C368-P449 WeakPolarHBondContact CA-O 3.5Å; C368-P449 VanDerWaalsContact CB-O 3.26Å; C368-P449 WeakPolarHBondContact CB-O 3.33Å; C368-P449 PolarHBondContact N-O 3.2Å; C368-M451 HydrophobicContact CB-CB 4.46Å; C368-M451 HydrophobicContact CB-CE 4.04Å; C368-M451 HydrophobicContact CB-CG 3.49Å; C368-M451 VanDerWaalsContact CB-CG 3.49Å
369	P	95.1	Very high	92.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	145.1	174.1	-25.5	37.3	0	0	0	110.1	L350 I352 F367 L371 T429 L431 P449 L467	L350-P369 HydrophobicContact CD2-CB 3.82Å; I352-P369 WeakPolarHBondContact CD1-O 3.28Å; F367-P369 VanDerWaalsContact C-CD 3.43Å; F367-P369 HydrophobicContact CD2-CG 4.18Å; F367-P369 HydrophobicContact CE1-CB 4.11Å; F367-P369 HydrophobicContact CE1-CG 4.2Å; F367-P369 HydrophobicContact CE2-CB 4.4Å; F367-P369 HydrophobicContact CE2-CG 3.76Å; F367-P369 HydrophobicContact CZ-CB 3.9Å; F367-P369 HydrophobicContact CZ-CG 3.78Å; P369-L371 PolarHBondContact O-N 3.05Å; P369-T429 WeakPolarHBondContact CB-O 3.42Å; P369-L431 HydrophobicContact CB-CD2 4.4Å; P369-L431 HydrophobicContact CG-CD2 3.81Å; P369-P449 WeakPolarHBondContact CD-O 3.36Å; P369-P449 HydrophobicContact CG-CB 4.13Å; P369-L467 HydrophobicContact CG-CD1 4.14Å
370	G	92.9	Very high	92.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-11.1	179.2	0	0	0	0	0	117.3	P348 C368 R387	P348-G370 WeakPolarHBondContact CG-O 3.38Å; C368-G370 PolarHBondContact O-N 3.1Å; G370-R387 VanDerWaalsContact O-CD 3.28Å; G370-R387 WeakPolarHBondContact O-CD 3.37Å; G370-R387 PolarHBondContact O-NH1 2.77Å
371	L	93.3	Very high	93	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.052	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-21	-179.5	-61.8	-174.2	0	0	0	114.1	I352 L359 A362 F367 C368 P369 R387	I352-L371 HydrophobicContact CD1-CD2 4.46Å; I352-L371 HydrophobicContact CD1-CG 4.5Å; I352-L371 HydrophobicContact CG2-CD2 4.33Å; L359-L371 HydrophobicContact CD2-CD2 3.76Å; A362-L371 HydrophobicContact CB-CD1 3.76Å; F367-L371 WeakPolarHBondContact O-CD1 3.41Å; C368-L371 PolarHBondContact O-N 2.79Å; P369-L371 PolarHBondContact O-N 3.05Å; L371-R387 VanDerWaalsContact O-CB 3.28Å; L371-R387 WeakPolarHBondContact O-CB 3.16Å; L371-R387 VanDerWaalsContact O-CG 3.23Å; L371-R387 WeakPolarHBondContact O-CG 3.14Å; L371-R387 PolarHBondContact O-N 3.46Å
372	G	93.2	Very high	93.3	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.5	-179.9	0	0	0	0	0	113	P348 L385	P348-G372 WeakPolarHBondContact CD-O 3.38Å; P348-G372 WeakPolarHBondContact CG-O 3.25Å; G372-L385 CarbonylContact C-O 3.6Å; G372-L385 VanDerWaalsContact CA-O 3.31Å; G372-L385 WeakPolarHBondContact CA-O 3.49Å
373	L	96.3	Very high	93.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	153.3	160	65.3	82.2	0	0	0	109.6	L277 L286 A346 L347 L375 I384 L385 R387 L390	L277-L373 HydrophobicContact CD2-CD2 4.47Å; L286-L373 HydrophobicContact CD1-CD2 4.05Å; L286-L373 HydrophobicContact CD2-CD2 3.9Å; A346-L373 WeakPolarHBondContact O-CA 3.03Å; L347-L373 HydrophobicContact CD2-CB 3.88Å; L347-L373 HydrophobicContact CD2-CD2 4.06Å; L373-L375 HydrophobicContact CD1-CD2 3.78Å; L373-L375 HydrophobicContact CD1-CG 3.91Å; L373-I384 CarbonylContact O-C 3.48Å; L373-I384 VanDerWaalsContact O-CA 3.22Å; L373-I384 WeakPolarHBondContact O-CA 3.47Å; L373-L385 HydrophobicContact CD1-CB 4.04Å; L373-L385 HydrophobicContact CD1-CD1 4.48Å; L373-L385 HydrophobicContact CD1-CG 4.4Å; L373-L385 HydrophobicContact CG-CB 4.38Å; L373-L385 PolarHBondContact N-O 2.74Å; L373-L385 PolarHBondContact O-N 3.34Å; L373-R387 HydrophobicContact CD2-CB 4.43Å; L373-L390 HydrophobicContact CD2-CD2 4.01Å
374	A	97.6	Very high	93.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	-179.5	0	0	0	0	0	110.9	V345 A346 I382 Q383 I384 L424 F426 L433	V345-A374 WeakPolarHBondContact CA-O 3.23Å; A346-A374 HydrophobicContact CB-CB 4.33Å; A346-A374 PolarHBondContact N-O 3.46Å; A346-A374 PolarHBondContact O-N 3.17Å; A374-I382 HydrophobicContact CB-CG2 4.2Å; A374-Q383 CarbonylContact C-O 3.52Å; A374-Q383 WeakPolarHBondContact CA-O 3.44Å; A374-I384 HydrophobicContact CB-CG1 4.27Å; A374-L424 HydrophobicContact CB-CD1 4.41Å; A374-F426 HydrophobicContact CB-CE2 3.63Å; A374-F426 HydrophobicContact CB-CZ 3.69Å; A374-L433 HydrophobicContact CB-CD1 4.26Å; A374-L433 HydrophobicContact CB-CD2 4.18Å
375	L	97.8	Very high	94.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.7	171.2	-56.4	-176.8	0	0	0	108.3	V297 L339 V342 V345 L373 F377 I382 Q383 L385	V297-L375 HydrophobicContact CG2-CD1 4.06Å; L339-L375 HydrophobicContact CD1-CD1 4.09Å; V342-L375 HydrophobicContact CG1-CD2 4.43Å; V342-L375 HydrophobicContact CG2-CD1 4.34Å; V345-L375 HydrophobicContact CB-CD2 4.33Å; V345-L375 HydrophobicContact CG1-CD2 4.07Å; V345-L375 HydrophobicContact CG2-CD2 3.72Å; L373-L375 HydrophobicContact CD1-CD2 3.78Å; L373-L375 HydrophobicContact CD1-CG 3.91Å; L375-F377 HydrophobicContact CB-CE1 4.44Å; L375-F377 HydrophobicContact CB-CE2 3.74Å; L375-F377 HydrophobicContact CB-CZ 3.65Å; L375-F377 HydrophobicContact CD1-CZ 4.01Å; L375-F377 HydrophobicContact CG-CZ 4.5Å; L375-F377 WeakPolarHBondContact O-CE2 3.42Å; L375-I382 CarbonylContact O-C 3.52Å; L375-I382 VanDerWaalsContact O-CA 3.23Å; L375-I382 WeakPolarHBondContact O-CA 3.17Å; L375-Q383 PolarHBondContact N-O 3.21Å; L375-Q383 PolarHBondContact O-N 3.07Å; L375-L385 HydrophobicContact CD1-CD1 3.49Å; L375-L385 VanDerWaalsContact CD1-CD1 3.49Å; L375-L385 HydrophobicContact CD1-CG 4.22Å; L375-L385 HydrophobicContact CG-CD1 4.24Å
376	A	96.2	Very high	94.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.3	163.5	0	0	0	0	0	110.2	V342 S343 A344 S381 I382 F421 L424	V342-A376 CarbonylContact C-O 3.52Å; V342-A376 WeakPolarHBondContact CA-O 3.29Å; S343-A376 PolarHBondContact N-O 3.25Å; S343-A376 WeakPolarHBondContact OG-CB 3.34Å; S343-A376 PolarHBondContact OG-O 3.36Å; A344-A376 HydrophobicContact CB-CB 4.2Å; A344-A376 PolarHBondContact O-N 2.85Å; A376-S381 WeakPolarHBondContact CA-O 3.31Å; A376-I382 HydrophobicContact CB-CG1 4.49Å; A376-F421 HydrophobicContact CB-CB 3.83Å; A376-L424 HydrophobicContact CB-CD1 3.54Å; A376-L424 HydrophobicContact CB-CG 4.09Å
377	F	95.4	Very high	94.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.8	-176.1	-62.8	-81.5	0	0	0	111.6	L339 E340 R341 V342 L375 D379 G380 S381 Q383 H420	L339-F377 HydrophobicContact CB-CE1 3.97Å; L339-F377 HydrophobicContact CD1-CE1 4.27Å; L339-F377 HydrophobicContact CD1-CZ 4.44Å; E340-F377 HydrophobicContact CB-CB 4.19Å; E340-F377 HydrophobicContact CB-CD1 3.72Å; E340-F377 HydrophobicContact CB-CE1 4.46Å; E340-F377 HydrophobicContact CB-CG 4.18Å; E340-F377 HydrophobicContact CG-CB 3.9Å; E340-F377 HydrophobicContact CG-CD1 4.27Å; E340-F377 HydrophobicContact CG-CG 4.43Å; E340-F377 VanDerWaalsContact O-CD1 3.26Å; E340-F377 WeakPolarHBondContact O-CD1 3.36Å; E340-F377 WeakPolarHBondContact O-CE1 3.32Å; R341-F377 WeakPolarHBondContact O-CA 3.39Å; V342-F377 HydrophobicContact CG2-CD1 4.08Å; V342-F377 HydrophobicContact CG2-CE1 3.63Å; V342-F377 HydrophobicContact CG2-CZ 4.41Å; L375-F377 HydrophobicContact CB-CE1 4.44Å; L375-F377 HydrophobicContact CB-CE2 3.74Å; L375-F377 HydrophobicContact CB-CZ 3.65Å; L375-F377 HydrophobicContact CD1-CZ 4.01Å; L375-F377 HydrophobicContact CG-CZ 4.5Å; L375-F377 WeakPolarHBondContact O-CE2 3.42Å; F377-D379 WeakPolarHBondContact CB-OD1 3.47Å; F377-D379 PolarHBondContact O-N 3.39Å; F377-G380 PolarHBondContact O-N 3.26Å; F377-S381 WeakPolarHBondContact CD2-OG 3.37Å; F377-S381 PolarHBondContact N-O 3.16Å; F377-Q383 HydrophobicContact CD2-CG 4.23Å; F377-Q383 HydrophobicContact CE2-CB 3.7Å; F377-Q383 HydrophobicContact CE2-CG 3.46Å; F377-Q383 VanDerWaalsContact CE2-CG 3.46Å; F377-Q383 HydrophobicContact CZ-CB 4.31Å; F377-Q383 HydrophobicContact CZ-CG 4.16Å; F377-H420 WeakPolarHBondContact O-CB 3.37Å
378	H	91.9	Very high	94.1	Very high	49 Å²	49	12.9 Å²	12.9	23%	0.227	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.7	179.3	-79.5	77.4	0	0	0	113.9	R341 G380 H420	R341-H378 HydrophobicContact CB-CB 4.39Å; R341-H378 WeakPolarHBondContact CG-ND1 3.45Å; R341-H378 PolarHBondContact O-N 3.29Å; R341-H378 PolarHBondContact O-ND1 3.14Å; H378-G380 PolarHBondContact O-N 3.23Å; H378-H420 AromaticContact CD2-CE1 3.75Å; H378-H420 AromaticContact CD2-NE2 3.56Å; H378-H420 AromaticContact NE2-NE2 3.81Å
379	D	89.6	Confident	94	Very high	71 Å²	71	14.1 Å²	14.1	38%	0.38	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.5	171.8	71.8	-6.3	0	0	0	113.6	E340 F377 S381	E340-D379 HydrophobicContact CG-CB 4.08Å; F377-D379 WeakPolarHBondContact CB-OD1 3.47Å; F377-D379 PolarHBondContact O-N 3.39Å; D379-S381 VanDerWaalsContact OD1-CB 3.28Å; D379-S381 WeakPolarHBondContact OD1-CB 3.35Å; D379-S381 PolarHBondContact OD1-N 2.8Å; D379-S381 PolarHBondContact OD1-OG 3.28Å; D379-S381 PolarHBondContact OD2-OG 3.24Å
380	G	88.9	Confident	94	Very high	5 Å²	5	14.6 Å²	14.6	5%	0.052	8%	0.079	C	C	.	.	S	Bend	trans	88.7	1.2	-179.2	0	0	0	0	0	114.7	F377 H378 G398 L419	F377-G380 PolarHBondContact O-N 3.26Å; H378-G380 PolarHBondContact O-N 3.23Å; G380-G398 PolarHBondContact O-N 3.04Å; G380-L419 VanDerWaalsContact CA-O 3.27Å; G380-L419 WeakPolarHBondContact CA-O 3.23Å
381	S	93	Very high	94.1	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	156.9	174.4	71.8	0	0	0	0	112.2	A376 F377 D379 F396	A376-S381 WeakPolarHBondContact CA-O 3.31Å; F377-S381 WeakPolarHBondContact CD2-OG 3.37Å; F377-S381 PolarHBondContact N-O 3.16Å; D379-S381 VanDerWaalsContact OD1-CB 3.28Å; D379-S381 WeakPolarHBondContact OD1-CB 3.35Å; D379-S381 PolarHBondContact OD1-N 2.8Å; D379-S381 PolarHBondContact OD1-OG 3.28Å; D379-S381 PolarHBondContact OD2-OG 3.24Å; S381-F396 CarbonylContact C-O 3.5Å; S381-F396 WeakPolarHBondContact CA-O 3.25Å
382	I	95.9	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.4	168.9	-56.6	175.7	0	0	0	107.7	M1 A374 L375 A376 V395 F396 F421 L424 L433 L445	M1-I382 HydrophobicContact CE-CB 4.47Å; M1-I382 HydrophobicContact CE-CG2 4.13Å; M1-I382 HydrophobicContact SD-CG2 4.37Å; A374-I382 HydrophobicContact CB-CG2 4.2Å; L375-I382 CarbonylContact O-C 3.52Å; L375-I382 VanDerWaalsContact O-CA 3.23Å; L375-I382 WeakPolarHBondContact O-CA 3.17Å; A376-I382 HydrophobicContact CB-CG1 4.49Å; I382-V395 CarbonylContact O-C 3.54Å; I382-V395 WeakPolarHBondContact O-CA 3.41Å; I382-F396 HydrophobicContact CB-CB 4.35Å; I382-F396 HydrophobicContact CD1-CD1 4.24Å; I382-F396 HydrophobicContact CG1-CD1 4.48Å; I382-F396 PolarHBondContact N-O 3.23Å; I382-F396 PolarHBondContact O-N 2.96Å; I382-F421 HydrophobicContact CD1-CD2 3.69Å; I382-F421 HydrophobicContact CD1-CE2 3.56Å; I382-F421 HydrophobicContact CD1-CZ 4.35Å; I382-F421 HydrophobicContact CG1-CD2 3.83Å; I382-F421 HydrophobicContact CG1-CE2 3.98Å; I382-L424 HydrophobicContact CD1-CD2 4.26Å; I382-L433 HydrophobicContact CD1-CD2 4.05Å; I382-L433 HydrophobicContact CG2-CD2 4.14Å; I382-L445 HydrophobicContact CD1-CD1 4.43Å; I382-L445 HydrophobicContact CD1-CD2 4.22Å
383	Q	96.1	Very high	94.1	Very high	37 Å²	37	26.4 Å²	26.4	17%	0.173	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.4	169.8	-59.2	-178.2	19.4	0	0	110.1	A374 L375 F377 L385 G394 V395	A374-Q383 CarbonylContact C-O 3.52Å; A374-Q383 WeakPolarHBondContact CA-O 3.44Å; L375-Q383 PolarHBondContact N-O 3.21Å; L375-Q383 PolarHBondContact O-N 3.07Å; F377-Q383 HydrophobicContact CD2-CG 4.23Å; F377-Q383 HydrophobicContact CE2-CB 3.7Å; F377-Q383 HydrophobicContact CE2-CG 3.46Å; F377-Q383 VanDerWaalsContact CE2-CG 3.46Å; F377-Q383 HydrophobicContact CZ-CB 4.31Å; F377-Q383 HydrophobicContact CZ-CG 4.16Å; Q383-L385 HydrophobicContact CB-CD2 4.21Å; Q383-G394 CarbonylContact C-O 3.5Å; Q383-G394 WeakPolarHBondContact CA-O 3.47Å; Q383-V395 HydrophobicContact CG-CB 4.49Å; Q383-V395 HydrophobicContact CG-CG1 4.05Å; Q383-V395 HydrophobicContact CG-CG2 4.02Å
384	I	96.7	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.1	166.7	-65.7	176	0	0	0	107.9	M1 L373 A374 M393 G394 V447 M451	M1-I384 HydrophobicContact CE-CD1 3.64Å; M1-I384 HydrophobicContact CE-CG1 3.62Å; M1-I384 HydrophobicContact CG-CD1 3.88Å; M1-I384 HydrophobicContact SD-CD1 3.45Å; M1-I384 WeakPolarHBondContact SD-CD1 3.5Å; M1-I384 HydrophobicContact SD-CG1 3.93Å; L373-I384 CarbonylContact O-C 3.48Å; L373-I384 VanDerWaalsContact O-CA 3.22Å; L373-I384 WeakPolarHBondContact O-CA 3.47Å; A374-I384 HydrophobicContact CB-CG1 4.27Å; I384-M393 HydrophobicContact CG2-CB 4.2Å; I384-M393 HydrophobicContact CG2-SD 4.39Å; I384-M393 PolarHBondContact O-N 2.79Å; I384-G394 PolarHBondContact N-O 2.93Å; I384-G394 PolarHBondContact O-N 2.84Å; I384-V447 HydrophobicContact CD1-CG1 3.73Å; I384-M451 HydrophobicContact CD1-CE 4.03Å; I384-M451 HydrophobicContact CD1-SD 3.74Å; I384-M451 HydrophobicContact CG2-CE 3.93Å; I384-M451 HydrophobicContact CG2-SD 4.07Å
385	L	96.3	Very high	93.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.3	176.9	-52	-173.4	0	0	0	110.2	T336 G372 L373 L375 Q383 R387 L390 H391 T392	T336-L385 HydrophobicContact CG2-CD1 4.16Å; G372-L385 CarbonylContact C-O 3.6Å; G372-L385 VanDerWaalsContact CA-O 3.31Å; G372-L385 WeakPolarHBondContact CA-O 3.49Å; L373-L385 HydrophobicContact CD1-CB 4.04Å; L373-L385 HydrophobicContact CD1-CD1 4.48Å; L373-L385 HydrophobicContact CD1-CG 4.4Å; L373-L385 HydrophobicContact CG-CB 4.38Å; L373-L385 PolarHBondContact N-O 2.74Å; L373-L385 PolarHBondContact O-N 3.34Å; L375-L385 HydrophobicContact CD1-CD1 3.49Å; L375-L385 VanDerWaalsContact CD1-CD1 3.49Å; L375-L385 HydrophobicContact CD1-CG 4.22Å; L375-L385 HydrophobicContact CG-CD1 4.24Å; Q383-L385 HydrophobicContact CB-CD2 4.21Å; L385-R387 PolarHBondContact O-N 2.84Å; L385-L390 HydrophobicContact CD1-CB 4.44Å; L385-L390 HydrophobicContact CD1-CD2 4.4Å; L385-H391 CarbonylContact C-O 3.55Å; L385-H391 WeakPolarHBondContact CA-O 3.46Å; L385-T392 HydrophobicContact CD2-CG2 4.23Å; L385-T392 WeakPolarHBondContact CD2-OG1 3.36Å
386	H	94.2	Very high	93	Very high	38 Å²	38	31.7 Å²	31.7	18%	0.176	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.1	171.8	-178.5	-103.1	0	0	0	109.8	L388 S389 L390 H391 M393	H386-L388 PolarHBondContact O-N 2.91Å; H386-S389 WeakPolarHBondContact CB-OG 3.14Å; H386-S389 PolarHBondContact ND1-N 3.07Å; H386-S389 PolarHBondContact ND1-OG 2.76Å; H386-S389 PolarHBondContact O-N 3.41Å; H386-L390 WeakPolarHBondContact O-CA 3.49Å; H386-L390 PolarHBondContact O-N 2.75Å; H386-H391 PolarHBondContact N-O 2.97Å; H386-M393 VanDerWaalsContact CA-SD 3.54Å; H386-M393 HydrophobicContact CB-CG 4.02Å; H386-M393 HydrophobicContact CB-SD 3.79Å
387	R	91	Very high	92.4	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.019	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-165.2	67.3	-177.3	-68.3	179.2	2.7	115.8	L277 G370 L371 L373 L385	L277-R387 WeakPolarHBondContact CD1-O 3.45Å; L277-R387 PolarHBondContact O-NH2 3.39Å; L277-R387 VanDerWaalsContact O-NH2 3.11Å; G370-R387 VanDerWaalsContact O-CD 3.28Å; G370-R387 WeakPolarHBondContact O-CD 3.37Å; G370-R387 PolarHBondContact O-NH1 2.77Å; L371-R387 VanDerWaalsContact O-CB 3.28Å; L371-R387 WeakPolarHBondContact O-CB 3.16Å; L371-R387 VanDerWaalsContact O-CG 3.23Å; L371-R387 WeakPolarHBondContact O-CG 3.14Å; L371-R387 PolarHBondContact O-N 3.46Å; L373-R387 HydrophobicContact CD2-CB 4.43Å; L385-R387 PolarHBondContact O-N 2.84Å
388	L	89.8	Confident	90.9	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.168	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-35.8	178.9	-64.2	-178	0	0	0	113.4	L277 L333 T334 L359 H386	L277-L388 HydrophobicContact CD1-CD2 3.73Å; L333-L388 HydrophobicContact CD1-CD2 4.37Å; T334-L388 WeakPolarHBondContact CG2-O 3.49Å; L359-L388 HydrophobicContact CD1-CD1 4.21Å; H386-L388 PolarHBondContact O-N 2.91Å
389	S	92.8	Very high	88.8	Confident	39 Å²	39	42.6 Å²	42.6	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.1	-175.1	68.5	0	0	0	0	113	T334 H386 H391	T334-S389 PolarHBondContact OG1-O 2.82Å; H386-S389 WeakPolarHBondContact CB-OG 3.14Å; H386-S389 PolarHBondContact ND1-N 3.07Å; H386-S389 PolarHBondContact ND1-OG 2.76Å; H386-S389 PolarHBondContact O-N 3.41Å; S389-H391 WeakPolarHBondContact CB-ND1 3.42Å; S389-H391 PolarHBondContact O-N 2.9Å; S389-H391 VanDerWaalsContact O-N 3.1Å; S389-H391 PolarHBondContact O-ND1 2.89Å; S389-H391 PolarHBondContact OG-ND1 3.39Å
390	L	95.4	Very high	86.5	Confident	11 Å²	11	42.7 Å²	42.7	6%	0.058	25%	0.248	C	C	.	.			trans	54.4	19.1	-175.9	-59	-179.6	0	0	0	114.5	L286 V297 C299 T334 T336 L373 L385 H386	L286-L390 HydrophobicContact CD1-CD1 4.44Å; L286-L390 HydrophobicContact CD1-CD2 3.92Å; V297-L390 HydrophobicContact CB-CD1 4.42Å; V297-L390 HydrophobicContact CG1-CD1 4Å; C299-L390 HydrophobicContact CB-CD1 4Å; C299-L390 HydrophobicContact CB-CG 4.29Å; T334-L390 HydrophobicContact CG2-CB 3.93Å; T334-L390 HydrophobicContact CG2-CD1 3.66Å; T334-L390 HydrophobicContact CG2-CG 3.48Å; T334-L390 VanDerWaalsContact CG2-CG 3.48Å; T336-L390 HydrophobicContact CG2-CB 3.91Å; T336-L390 HydrophobicContact CG2-CD1 3.88Å; T336-L390 HydrophobicContact CG2-CG 4.48Å; L373-L390 HydrophobicContact CD2-CD2 4.01Å; L385-L390 HydrophobicContact CD1-CB 4.44Å; L385-L390 HydrophobicContact CD1-CD2 4.4Å; H386-L390 WeakPolarHBondContact O-CA 3.49Å; H386-L390 PolarHBondContact O-N 2.75Å
391	H	94.1	Very high	83.9	Confident	131 Å²	131	50.8 Å²	50.8	61%	0.606	29%	0.285	S	S	*	.			trans	-72.2	136.3	172.9	-73.7	61.7	0	0	0	109.9	L385 H386 S389 M393	L385-H391 CarbonylContact C-O 3.55Å; L385-H391 WeakPolarHBondContact CA-O 3.46Å; H386-H391 PolarHBondContact N-O 2.97Å; S389-H391 WeakPolarHBondContact CB-ND1 3.42Å; S389-H391 PolarHBondContact O-N 2.9Å; S389-H391 VanDerWaalsContact O-N 3.1Å; S389-H391 PolarHBondContact O-ND1 2.89Å; S389-H391 PolarHBondContact OG-ND1 3.39Å; H391-M393 PolarHBondContact O-N 3.3Å
392	T	94.2	Very high	81	Confident	82 Å²	82	62.2 Å²	62.2	50%	0.503	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123.1	177.9	-50.8	0	0	0	0	110.8	L385 V395	L385-T392 HydrophobicContact CD2-CG2 4.23Å; L385-T392 WeakPolarHBondContact CD2-OG1 3.36Å; T392-V395 HydrophobicContact CG2-CG2 3.7Å
393	M	93.4	Very high	78.1	Confident	49 Å²	49	68.5 Å²	68.5	24%	0.241	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-29.1	176.7	-58.9	179.1	76.5	0	0	111.8	C368 I384 H386 H391 M451	C368-M393 HydrophobicContact CB-CE 3.78Å; I384-M393 HydrophobicContact CG2-CB 4.2Å; I384-M393 HydrophobicContact CG2-SD 4.39Å; I384-M393 PolarHBondContact O-N 2.79Å; H386-M393 VanDerWaalsContact CA-SD 3.54Å; H386-M393 HydrophobicContact CB-CG 4.02Å; H386-M393 HydrophobicContact CB-SD 3.79Å; H391-M393 PolarHBondContact O-N 3.3Å; M393-M451 HydrophobicContact CB-CG 4.28Å; M393-M451 HydrophobicContact CE-CG 4.08Å
394	G	90.4	Very high	75.2	Confident	20 Å²	20	69.6 Å²	69.6	21%	0.206	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	153.2	177.7	0	0	0	0	0	112.3	Q383 I384	Q383-G394 CarbonylContact C-O 3.5Å; Q383-G394 WeakPolarHBondContact CA-O 3.47Å; I384-G394 PolarHBondContact N-O 2.93Å; I384-G394 PolarHBondContact O-N 2.84Å
395	V	91.2	Very high	72.1	Confident	58 Å²	58	77.4 Å²	77.4	35%	0.352	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140	177.8	-173.3	0	0	0	0	108.9	I382 Q383 T392 Y397	I382-V395 CarbonylContact O-C 3.54Å; I382-V395 WeakPolarHBondContact O-CA 3.41Å; Q383-V395 HydrophobicContact CG-CB 4.49Å; Q383-V395 HydrophobicContact CG-CG1 4.05Å; Q383-V395 HydrophobicContact CG-CG2 4.02Å; T392-V395 HydrophobicContact CG2-CG2 3.7Å; V395-Y397 HydrophobicContact CB-CE2 4.48Å; V395-Y397 HydrophobicContact CG1-CD2 4.34Å; V395-Y397 HydrophobicContact CG1-CE1 4.07Å; V395-Y397 HydrophobicContact CG1-CE2 3.79Å
396	F	87.2	Confident	69	Low	32 Å²	32	85.2 Å²	85.2	14%	0.14	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.2	172.5	176.7	-97.1	0	0	0	108.2	M1 L3 S381 I382 L445	M1-F396 HydrophobicContact CB-CB 4.13Å; M1-F396 HydrophobicContact CB-CD2 4.06Å; M1-F396 HydrophobicContact CB-CG 4.32Å; M1-F396 HydrophobicContact CE-CB 3.53Å; M1-F396 HydrophobicContact SD-CB 4.19Å; L3-F396 HydrophobicContact CB-CZ 4.48Å; S381-F396 CarbonylContact C-O 3.5Å; S381-F396 WeakPolarHBondContact CA-O 3.25Å; I382-F396 HydrophobicContact CB-CB 4.35Å; I382-F396 HydrophobicContact CD1-CD1 4.24Å; I382-F396 HydrophobicContact CG1-CD1 4.48Å; I382-F396 PolarHBondContact N-O 3.23Å; I382-F396 PolarHBondContact O-N 2.96Å; F396-L445 HydrophobicContact CD1-CD2 3.64Å; F396-L445 HydrophobicContact CD2-CD2 4.31Å; F396-L445 HydrophobicContact CE1-CD2 3.39Å; F396-L445 HydrophobicContact CE2-CD2 4.1Å; F396-L445 HydrophobicContact CG-CD2 4.1Å; F396-L445 HydrophobicContact CZ-CD2 3.64Å
397	Y	82.6	Confident	66.1	Low	167 Å²	167	88.2 Å²	88.2	66%	0.655	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.1	168.7	-58.9	-79.2	0	0	0	106.3	V395	V395-Y397 HydrophobicContact CB-CE2 4.48Å; V395-Y397 HydrophobicContact CG1-CD2 4.34Å; V395-Y397 HydrophobicContact CG1-CE1 4.07Å; V395-Y397 HydrophobicContact CG1-CE2 3.79Å
398	G	63.4	Low	63.6	Low	13 Å²	13	92.2 Å²	92.2	13%	0.134	54%	0.539	C	S	.	.			trans	-53.3	169.1	171.4	0	0	0	0	0	111.2	G380 A400	G380-G398 PolarHBondContact O-N 3.04Å; G398-A400 PolarHBondContact O-N 3.48Å
399	A	47.6	Very low	61.1	Low	98 Å²	98	97.6 Å²	97.6	81%	0.81	57%	0.566	S	S	*	*	S	Bend	trans	-63.8	21.1	-179.9	0	0	0	0	0	115.2	Q401	A399-Q401 VanDerWaalsContact C-N 3.27Å; A399-Q401 PolarHBondContact O-N 3.33Å
400	A	41.9	Very low	58.7	Low	73 Å²	73	106 Å²	106	60%	0.603	60%	0.598	S	S	*	*			trans	-64.4	93.7	150.8	0	0	0	0	0	107.9	G398	G398-A400 PolarHBondContact O-N 3.48Å
401	Q	35.8	Very low	55.9	Low	176 Å²	176	115.6 Å²	115.6	82%	0.822	63%	0.633	S	S	*	*			trans	108.4	87.3	171.5	-57.2	-176.6	7	0	0	116.6	A399	A399-Q401 VanDerWaalsContact C-N 3.27Å; A399-Q401 PolarHBondContact O-N 3.33Å
402	R	30	Very low	53.1	Low	243 Å²	243	115.6 Å²	115.6	92%	0.917	65%	0.645	S	S	*	*				-139	108.2	109.5	-76.6	-166	-176.6	163.6	1.3	109.5	G404	R402-G404 PolarHBondContact O-N 3.06Å
403	P	35	Very low	50.3	Low	132 Å²	132	123 Å²	123	86%	0.857	66%	0.663	S	S	*	*			trans	-76.7	106.3	163.8	29.4	-25.2	0	0	0	107.8
404	G	36	Very low	47.4	Very low	61 Å²	61	127 Å²	127	63%	0.629	69%	0.691	S	S	*	*			trans	-179.4	67.3	179.6	0	0	0	0	0	109.5	R402	R402-G404 PolarHBondContact O-N 3.06Å
405	D	31.9	Very low	44.9	Very low	164 Å²	164	133 Å²	133	88%	0.877	72%	0.724	S	S	*	*	S	Bend	trans	172.2	39.5	150.4	-87.1	-10.8	0	0	0	111.7
406	D	32	Very low	42.8	Very low	165 Å²	165	133 Å²	133	88%	0.882	74%	0.735	S	S	*	*			trans	-137.1	82.1	158	-92.6	-30	0	0	0	106.8
407	A	33.2	Very low	41.3	Very low	102 Å²	102	137.6 Å²	137.6	84%	0.843	77%	0.768	S	S	*	*			trans	-67.8	131.9	161.6	0	0	0	0	0	108.1
408	A	36.8	Very low	40.5	Very low	89 Å²	89	132 Å²	132	74%	0.736	76%	0.757	S	S	*	*	S	Bend	trans	81	91.9	175	0	0	0	0	0	116.6
409	I	37.7	Very low	41.3	Very low	145 Å²	145	135.6 Å²	135.6	74%	0.744	77%	0.772	S	S	*	*				179.1	115	100.2	-82.2	152.1	0	0	0	107	R411	I409-R411 HydrophobicContact CG2-CG 4.23Å; I409-R411 PolarHBondContact O-N 3.38Å
410	K	42.8	Very low	43.3	Very low	216 Å²	216	132 Å²	132	94%	0.939	74%	0.738	S	S	*	*			trans	-68.4	96.5	173	-71.1	-179.5	177.8	178.5	0	109.3
411	R	35.8	Very low	45.8	Very low	211 Å²	211	128.9 Å²	128.9	80%	0.796	71%	0.711	S	S	*	*			trans	-118.8	132.1	153.4	-76.1	-176.3	-179.7	174.2	1	107.8	I409 R413	I409-R411 HydrophobicContact CG2-CG 4.23Å; I409-R411 PolarHBondContact O-N 3.38Å; R411-R413 PolarHBondContact O-N 2.97Å
412	P	35.9	Very low	48.5	Very low	131 Å²	131	124.4 Å²	124.4	85%	0.851	69%	0.689	S	S	*	*			trans	-68.7	102	174.4	28.5	-29.6	0	0	0	107.6	T414	P412-T414 PolarHBondContact O-N 2.78Å
413	R	34.9	Very low	51.6	Low	237 Å²	237	113.2 Å²	113.2	89%	0.894	65%	0.649	S	S	*	*			trans	-69.9	121.4	167.1	-95.7	178.4	161.2	160.4	-3.8	107.2	R411 T415	R411-R413 PolarHBondContact O-N 2.97Å; R413-T415 PolarHBondContact O-N 2.91Å
414	T	32.4	Very low	54.5	Low	135 Å²	135	107.1 Å²	107.1	83%	0.828	61%	0.609	S	S	*	*			trans	-43.6	128.2	162.5	42.9	0	0	0	0	109.5	P412 G416	P412-T414 PolarHBondContact O-N 2.78Å; T414-G416 VanDerWaalsContact C-N 3.35Å; T414-G416 PolarHBondContact O-N 2.86Å
415	T	39.8	Very low	57.4	Low	146 Å²	146	106.2 Å²	106.2	90%	0.896	59%	0.588	S	S	*	*			trans	-58.7	92.1	176.9	43.8	0	0	0	0	109.8	R413	R413-T415 PolarHBondContact O-N 2.91Å
416	G	46.8	Very low	60.5	Low	56 Å²	56	98.5 Å²	98.5	58%	0.577	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-64.4	159.5	167.7	0	0	0	0	0	110.6	T414 A418	T414-G416 VanDerWaalsContact C-N 3.35Å; T414-G416 PolarHBondContact O-N 2.86Å; G416-A418 PolarHBondContact O-N 2.84Å
417	P	54.3	Low	63.6	Low	129 Å²	129	90.6 Å²	90.6	84%	0.838	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-56.2	136.8	175.6	22.9	-31.4	0	0	0	110.3	L419	P417-L419 PolarHBondContact O-N 3.38Å
418	A	65.8	Low	66.6	Low	51 Å²	51	88 Å²	88	42%	0.421	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-60.3	136.7	179.1	0	0	0	0	0	110.6	G416 H420	G416-A418 PolarHBondContact O-N 2.84Å; A418-H420 PolarHBondContact O-N 2.94Å; A418-H420 PolarHBondContact O-ND1 2.79Å
419	L	80.9	Confident	69.4	Low	87 Å²	87	83.8 Å²	83.8	46%	0.455	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-65.2	119.7	175.6	-176.2	138.4	0	0	0	108.9	G380 P417 D437	G380-L419 VanDerWaalsContact CA-O 3.27Å; G380-L419 WeakPolarHBondContact CA-O 3.23Å; P417-L419 PolarHBondContact O-N 3.38Å; L419-D437 HydrophobicContact CD2-CB 4.19Å; L419-D437 HydrophobicContact CG-CB 4.35Å
420	H	89.8	Confident	72.2	Confident	22 Å²	22	77 Å²	77	10%	0.102	40%	0.404	C	S	.	.			trans	-138.6	160.3	-179.9	62.4	-83.7	0	0	0	112	F377 H378 A418 K422 D437 G438	F377-H420 WeakPolarHBondContact O-CB 3.37Å; H378-H420 AromaticContact CD2-CE1 3.75Å; H378-H420 AromaticContact CD2-NE2 3.56Å; H378-H420 AromaticContact NE2-NE2 3.81Å; A418-H420 PolarHBondContact O-N 2.94Å; A418-H420 PolarHBondContact O-ND1 2.79Å; H420-K422 WeakPolarHBondContact NE2-CE 3.3Å; H420-K422 PolarHBondContact NE2-NZ 3.47Å; H420-D437 WeakPolarHBondContact O-CA 3.47Å; H420-G438 PolarHBondContact O-N 2.59Å
421	F	93.4	Very high	74.7	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.035	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.5	178.9	-62.1	-74.7	0	0	0	111.1	S343 A376 I382 L424 D437 H443	S343-F421 VanDerWaalsContact CB-O 3.32Å; S343-F421 WeakPolarHBondContact CB-O 3.48Å; S343-F421 PolarHBondContact OG-O 3.46Å; A376-F421 HydrophobicContact CB-CB 3.83Å; I382-F421 HydrophobicContact CD1-CD2 3.69Å; I382-F421 HydrophobicContact CD1-CE2 3.56Å; I382-F421 HydrophobicContact CD1-CZ 4.35Å; I382-F421 HydrophobicContact CG1-CD2 3.83Å; I382-F421 HydrophobicContact CG1-CE2 3.98Å; F421-L424 HydrophobicContact CB-CD2 3.95Å; F421-L424 HydrophobicContact CB-CG 4.26Å; F421-L424 HydrophobicContact CD1-CD2 4.36Å; F421-L424 HydrophobicContact CG-CD2 4.01Å; F421-D437 HydrophobicContact CD1-CB 4.44Å; F421-H443 HydrophobicContact CE1-CB 3.73Å; F421-H443 AromaticContact CE1-CD2 3.58Å; F421-H443 AromaticContact CE1-CG 3.62Å; F421-H443 HydrophobicContact CZ-CB 4.11Å
422	K	92.5	Very high	77.6	Confident	83 Å²	83	56.8 Å²	56.8	36%	0.361	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-22.5	176.5	-68.6	-63	-164.2	-173.5	0	112.3	L23 H420 V436	L23-K422 HydrophobicContact CB-CB 3.95Å; L23-K422 HydrophobicContact CD2-CB 3.55Å; L23-K422 HydrophobicContact CG-CB 4.39Å; H420-K422 WeakPolarHBondContact NE2-CE 3.3Å; H420-K422 PolarHBondContact NE2-NZ 3.47Å; K422-V436 PolarHBondContact N-O 2.93Å
423	A	95.1	Very high	80.5	Confident	8 Å²	8	50.5 Å²	50.5	7%	0.066	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.5	172.3	0	0	0	0	0	110.2	L23 S25 G435 V436	L23-A423 HydrophobicContact CD2-CB 4.14Å; L23-A423 HydrophobicContact CG-CB 4.17Å; S25-A423 WeakPolarHBondContact OG-CB 3.27Å; A423-G435 WeakPolarHBondContact O-CA 3.27Å; A423-V436 PolarHBondContact N-O 3.45Å; A423-V436 PolarHBondContact O-N 3.22Å
424	L	96.3	Very high	83.5	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.8	177.6	-74.4	-175.8	0	0	0	110.2	A344 A346 A374 A376 I382 F421 L433 A434	A344-L424 HydrophobicContact CB-CB 4.34Å; A344-L424 HydrophobicContact CB-CD1 4.47Å; A344-L424 HydrophobicContact CB-CG 4.11Å; A346-L424 HydrophobicContact CB-CB 3.72Å; A374-L424 HydrophobicContact CB-CD1 4.41Å; A376-L424 HydrophobicContact CB-CD1 3.54Å; A376-L424 HydrophobicContact CB-CG 4.09Å; I382-L424 HydrophobicContact CD1-CD2 4.26Å; F421-L424 HydrophobicContact CB-CD2 3.95Å; F421-L424 HydrophobicContact CB-CG 4.26Å; F421-L424 HydrophobicContact CD1-CD2 4.36Å; F421-L424 HydrophobicContact CG-CD2 4.01Å; L424-L433 HydrophobicContact CB-CD1 4.48Å; L424-L433 HydrophobicContact CD2-CD2 4.16Å; L424-L433 HydrophobicContact CD2-CG 4.32Å; L424-A434 CarbonylContact C-O 3.51Å; L424-A434 WeakPolarHBondContact CA-O 3.41Å
425	Q	97.4	Very high	86.5	Confident	41 Å²	41	32.9 Å²	32.9	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129	176.2	-75.2	-67.1	-25.7	0	0	111.4	S25 W27 A434	S25-Q425 WeakPolarHBondContact O-CG 3.32Å; S25-Q425 PolarHBondContact O-NE2 3.5Å; S25-Q425 WeakPolarHBondContact OG-CG 3.24Å; W27-Q425 HydrophobicContact CB-CB 4.18Å; Q425-A434 PolarHBondContact N-O 2.84Å; Q425-A434 PolarHBondContact O-N 3.27Å
426	F	97.6	Very high	89.2	Confident	2 Å²	2	26 Å²	26	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.7	168	-83.2	-73.9	0	0	0	111.3	A346 K349 A374 L433 V447	A346-F426 HydrophobicContact CB-CD2 3.75Å; A346-F426 HydrophobicContact CB-CE2 4.09Å; A346-F426 WeakPolarHBondContact O-CE2 3.35Å; K349-F426 PolarHBondContact NZ-O 3.47Å; K349-F426 VanDerWaalsContact NZ-O 3.11Å; A374-F426 HydrophobicContact CB-CE2 3.63Å; A374-F426 HydrophobicContact CB-CZ 3.69Å; F426-L433 HydrophobicContact CD1-CD1 3.95Å; F426-L433 HydrophobicContact CD2-CD1 4.12Å; F426-L433 HydrophobicContact CE1-CD1 4.07Å; F426-L433 HydrophobicContact CE2-CD1 4.23Å; F426-L433 HydrophobicContact CG-CD1 3.99Å; F426-L433 HydrophobicContact CZ-CD1 4.21Å; F426-V447 HydrophobicContact CE1-CG1 4.39Å; F426-V447 HydrophobicContact CE1-CG2 4.08Å
427	S	97.3	Very high	91.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.			trans	-67.1	165.7	162.5	73.2	0	0	0	0	111.3	T429 S430 L431 A432 D480	S427-T429 VanDerWaalsContact C-N 3.35Å; S427-T429 PolarHBondContact O-N 2.81Å; S427-S430 PolarHBondContact O-N 3.28Å; S427-S430 PolarHBondContact OG-N 3.24Å; S427-L431 PolarHBondContact OG-N 3.46Å; S427-A432 PolarHBondContact N-O 2.78Å; S427-A432 PolarHBondContact OG-N 3.05Å; S427-A432 VanDerWaalsContact OG-N 3.08Å; S427-A432 PolarHBondContact OG-O 3.15Å; S427-D480 WeakPolarHBondContact CB-OD2 3.33Å; S427-D480 PolarHBondContact OG-OD2 3.45Å
428	W	94.6	Very high	92.6	Very high	46 Å²	46	18.4 Å²	18.4	17%	0.174	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.6	-173.2	-79.8	71.3	0	0	0	114	W27 S28 C29 K349 L350 S430 Y476	W27-W428 PolarHBondContact O-NE1 3.05Å; S28-W428 VanDerWaalsContact C-CD1 3.43Å; S28-W428 PolarHBondContact O-NE1 3.47Å; C29-W428 HydrophobicContact CB-CD2 3.82Å; C29-W428 HydrophobicContact CB-CE3 4.23Å; C29-W428 HydrophobicContact CB-CG 4.21Å; C29-W428 HydrophobicContact CB-CH2 4.33Å; C29-W428 HydrophobicContact CB-CZ2 3.95Å; C29-W428 HydrophobicContact CB-CZ3 4.47Å; C29-W428 VanDerWaalsContact N-NE1 3.11Å; K349-W428 HydrophobicContact CB-CD2 4.31Å; K349-W428 HydrophobicContact CB-CE3 4.37Å; K349-W428 HydrophobicContact CD-CD2 4.23Å; K349-W428 HydrophobicContact CD-CG 4.3Å; L350-W428 PolarHBondContact N-O 3.03Å; W428-S430 VanDerWaalsContact C-N 3.35Å; W428-Y476 HydrophobicContact CB-CD2 4.49Å; W428-Y476 HydrophobicContact CD2-CE2 4.38Å; W428-Y476 AromaticContact CE3-CD2 3.97Å; W428-Y476 HydrophobicContact CE3-CD2 3.97Å; W428-Y476 AromaticContact CE3-CE2 3.4Å; W428-Y476 HydrophobicContact CE3-CE2 3.4Å; W428-Y476 VanDerWaalsContact CE3-CE2 3.4Å; W428-Y476 AromaticContact CE3-CZ 3.78Å; W428-Y476 AromaticContact CZ3-CE2 3.73Å; W428-Y476 HydrophobicContact CZ3-CE2 3.73Å; W428-Y476 AromaticContact CZ3-CZ 3.65Å; W428-Y476 WeakPolarHBondContact CZ3-OH 3.42Å
429	T	96.3	Very high	93.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.1	170	77.3	0	0	0	0	113.2	P369 S427 L431 D480 V481	P369-T429 WeakPolarHBondContact CB-O 3.42Å; S427-T429 VanDerWaalsContact C-N 3.35Å; S427-T429 PolarHBondContact O-N 2.81Å; T429-L431 PolarHBondContact O-N 3.26Å; T429-D480 WeakPolarHBondContact CB-OD2 3.41Å; T429-D480 PolarHBondContact N-OD2 3.13Å; T429-D480 PolarHBondContact OG1-OD1 2.76Å; T429-D480 PolarHBondContact OG1-OD2 3.26Å; T429-V481 HydrophobicContact CG2-CG2 3.89Å
430	S	95.6	Very high	93.7	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.028	9%	0.087	C	C	.	.	S	Bend	trans	61.6	21.5	-177.4	-45.8	0	0	0	0	114.7	S427 W428	S427-S430 PolarHBondContact O-N 3.28Å; S427-S430 PolarHBondContact OG-N 3.24Å; W428-S430 VanDerWaalsContact C-N 3.35Å
431	L	96.3	Very high	93.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.093	C	C	.	.	S	Bend	trans	-95.4	-4.4	176.9	-67.6	-167.5	0	0	0	114.1	P369 S427 T429 V447 P449 L464 L467 D480 V481 H484	P369-L431 HydrophobicContact CB-CD2 4.4Å; P369-L431 HydrophobicContact CG-CD2 3.81Å; S427-L431 PolarHBondContact OG-N 3.46Å; T429-L431 PolarHBondContact O-N 3.26Å; L431-V447 PolarHBondContact O-N 2.9Å; L431-P449 HydrophobicContact CD1-CG 4.22Å; L431-P449 HydrophobicContact CD2-CB 3.89Å; L431-P449 HydrophobicContact CD2-CG 3.59Å; L431-L464 HydrophobicContact CD1-CD2 4.45Å; L431-L467 HydrophobicContact CD1-CD1 3.49Å; L431-L467 VanDerWaalsContact CD1-CD1 3.49Å; L431-L467 HydrophobicContact CD2-CD1 4.32Å; L431-L467 HydrophobicContact CG-CD1 3.96Å; L431-D480 HydrophobicContact CB-CB 4.44Å; L431-V481 HydrophobicContact CD1-CB 4.41Å; L431-V481 HydrophobicContact CD1-CG1 4.39Å; L431-V481 HydrophobicContact CD1-CG2 4.28Å; L431-H484 PolarHBondContact O-NE2 2.85Å
432	A	96.9	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	171.6	0	0	0	0	0	111.6	W27 S427 M444 L445 D480 L483	W27-A432 HydrophobicContact CH2-CB 3.65Å; W27-A432 HydrophobicContact CZ3-CB 4.25Å; S427-A432 PolarHBondContact N-O 2.78Å; S427-A432 PolarHBondContact OG-N 3.05Å; S427-A432 VanDerWaalsContact OG-N 3.08Å; S427-A432 PolarHBondContact OG-O 3.15Å; A432-M444 HydrophobicContact CB-SD 4.11Å; A432-L445 CarbonylContact C-O 3.3Å; A432-L445 VanDerWaalsContact CA-O 3.25Å; A432-L445 WeakPolarHBondContact CA-O 3.4Å; A432-D480 HydrophobicContact CB-CB 3.99Å; A432-L483 HydrophobicContact CB-CD1 3.82Å
433	L	97.3	Very high	94	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.7	177.4	-175.9	73.7	0	0	0	108.6	A346 A374 I382 L424 F426 L445 V447	A346-L433 HydrophobicContact CB-CD1 3.99Å; A374-L433 HydrophobicContact CB-CD1 4.26Å; A374-L433 HydrophobicContact CB-CD2 4.18Å; I382-L433 HydrophobicContact CD1-CD2 4.05Å; I382-L433 HydrophobicContact CG2-CD2 4.14Å; L424-L433 HydrophobicContact CB-CD1 4.48Å; L424-L433 HydrophobicContact CD2-CD2 4.16Å; L424-L433 HydrophobicContact CD2-CG 4.32Å; F426-L433 HydrophobicContact CD1-CD1 3.95Å; F426-L433 HydrophobicContact CD2-CD1 4.12Å; F426-L433 HydrophobicContact CE1-CD1 4.07Å; F426-L433 HydrophobicContact CE2-CD1 4.23Å; F426-L433 HydrophobicContact CG-CD1 3.99Å; F426-L433 HydrophobicContact CZ-CD1 4.21Å; L433-L445 HydrophobicContact CB-CB 4.36Å; L433-L445 PolarHBondContact N-O 2.8Å; L433-L445 WeakPolarHBondContact O-CD1 3.45Å; L433-L445 PolarHBondContact O-N 2.95Å; L433-V447 HydrophobicContact CB-CG2 3.84Å
434	A	97.4	Very high	94.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.8	173.1	0	0	0	0	0	108.5	W27 V33 L424 Q425 L442 H443 M444	W27-A434 HydrophobicContact CE3-CB 3.66Å; W27-A434 HydrophobicContact CZ3-CB 3.57Å; V33-A434 HydrophobicContact CG1-CB 4.4Å; V33-A434 HydrophobicContact CG2-CB 4.42Å; L424-A434 CarbonylContact C-O 3.51Å; L424-A434 WeakPolarHBondContact CA-O 3.41Å; Q425-A434 PolarHBondContact N-O 2.84Å; Q425-A434 PolarHBondContact O-N 3.27Å; A434-L442 HydrophobicContact CB-CD1 4.24Å; A434-H443 WeakPolarHBondContact CA-O 3.24Å; A434-M444 HydrophobicContact CB-CE 4.04Å
435	G	95.9	Very high	94	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.1	176.3	0	0	0	0	0	111.8	A423 H443	A423-G435 WeakPolarHBondContact O-CA 3.27Å; G435-H443 PolarHBondContact N-O 3.28Å; G435-H443 PolarHBondContact O-N 3.4Å
436	V	95	Very high	93.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125	172.8	-166	0	0	0	0	109	L23 F35 K422 A423 K441 L442	L23-V436 HydrophobicContact CD1-CG1 4.48Å; L23-V436 HydrophobicContact CD2-CB 3.66Å; L23-V436 HydrophobicContact CD2-CG1 3.61Å; F35-V436 HydrophobicContact CB-CG2 4Å; F35-V436 HydrophobicContact CD2-CG1 4.27Å; F35-V436 HydrophobicContact CD2-CG2 4.36Å; F35-V436 HydrophobicContact CG-CG2 4.12Å; K422-V436 PolarHBondContact N-O 2.93Å; A423-V436 PolarHBondContact N-O 3.45Å; A423-V436 PolarHBondContact O-N 3.22Å; V436-K441 VanDerWaalsContact CA-O 3.31Å; V436-K441 WeakPolarHBondContact CA-O 3.45Å; V436-K441 WeakPolarHBondContact CG1-O 3.43Å; V436-L442 HydrophobicContact CG2-CD1 3.97Å
437	D	90.9	Very high	93.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	174.1	-176.8	70.7	17.9	0	0	0	113	L419 H420 F421 H439 G440 K441 H443	L419-D437 HydrophobicContact CD2-CB 4.19Å; L419-D437 HydrophobicContact CG-CB 4.35Å; H420-D437 WeakPolarHBondContact O-CA 3.47Å; F421-D437 HydrophobicContact CD1-CB 4.44Å; D437-H439 PolarHBondContact O-N 2.69Å; D437-H439 WeakPolarHBondContact OD1-CA 3.31Å; D437-H439 WeakPolarHBondContact OD1-CB 3.29Å; D437-H439 PolarHBondContact OD1-N 3.29Å; D437-G440 PolarHBondContact O-N 3.04Å; D437-G440 PolarHBondContact OD1-N 3.22Å; D437-K441 PolarHBondContact N-O 3.42Å; D437-K441 VanDerWaalsContact N-O 3.14Å; D437-K441 WeakPolarHBondContact OD1-CB 3.32Å; D437-K441 PolarHBondContact OD1-N 2.72Å; D437-K441 WeakPolarHBondContact OD2-CB 3.26Å; D437-H443 IonicContact OD2-CD2 3.4Å; D437-H443 IonicContact OD2-CE1 3.81Å; D437-H443 IonicContact OD2-NE2 3.72Å; D437-H443 PolarHBondContact OD2-NE2 3.31Å
438	G	82.9	Confident	93.4	Very high	27 Å²	27	15.1 Å²	15.1	28%	0.278	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	8.7	174.9	0	0	0	0	0	115.7	P19 H420	P19-G438 VanDerWaalsContact CG-O 3.28Å; P19-G438 WeakPolarHBondContact CG-O 3.47Å; H420-G438 PolarHBondContact O-N 2.59Å
439	H	83.9	Confident	93.3	Very high	114 Å²	114	13.5 Å²	13.5	53%	0.528	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	6	169.6	-63.4	-71	0	0	0	112.3	D437 K441	D437-H439 PolarHBondContact O-N 2.69Å; D437-H439 WeakPolarHBondContact OD1-CA 3.31Å; D437-H439 WeakPolarHBondContact OD1-CB 3.29Å; D437-H439 PolarHBondContact OD1-N 3.29Å; H439-K441 VanDerWaalsContact C-N 3.29Å; H439-K441 HydrophobicContact CB-CG 4.16Å; H439-K441 PolarHBondContact O-N 2.85Å
440	G	86.4	Confident	93.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	74.8	15.9	-177.3	0	0	0	0	0	113.8	W9 D437	W9-G440 PolarHBondContact NE1-O 2.7Å; D437-G440 PolarHBondContact O-N 3.04Å; D437-G440 PolarHBondContact OD1-N 3.22Å
441	K	91.2	Very high	92.8	Very high	54 Å²	54	15.1 Å²	15.1	24%	0.235	8%	0.083	C	C	.	.			trans	-82.5	141.9	175.4	-49.6	-170.7	-174	-161	0	110.4	V6 D8 V436 D437 H439 H443	V6-K441 HydrophobicContact CG1-CB 4.35Å; D8-K441 HydrophobicContact CB-CD 4.19Å; D8-K441 HydrophobicContact CB-CG 4.43Å; D8-K441 WeakPolarHBondContact OD1-CD 3.37Å; D8-K441 VanDerWaalsContact OD1-CE 3.26Å; D8-K441 WeakPolarHBondContact OD1-CE 3.49Å; D8-K441 WeakPolarHBondContact OD1-CG 3.47Å; D8-K441 IonicContact OD1-NZ 3.82Å; D8-K441 WeakPolarHBondContact OD2-CE 3.49Å; D8-K441 IonicContact OD2-NZ 3.59Å; D8-K441 PolarHBondContact OD2-NZ 3.2Å; V436-K441 VanDerWaalsContact CA-O 3.31Å; V436-K441 WeakPolarHBondContact CA-O 3.45Å; V436-K441 WeakPolarHBondContact CG1-O 3.43Å; D437-K441 PolarHBondContact N-O 3.42Å; D437-K441 VanDerWaalsContact N-O 3.14Å; D437-K441 WeakPolarHBondContact OD1-CB 3.32Å; D437-K441 PolarHBondContact OD1-N 2.72Å; D437-K441 WeakPolarHBondContact OD2-CB 3.26Å; H439-K441 VanDerWaalsContact C-N 3.29Å; H439-K441 HydrophobicContact CB-CG 4.16Å; H439-K441 PolarHBondContact O-N 2.85Å; K441-H443 PolarHBondContact O-CD2 3.04Å
442	L	94.9	Very high	92.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.5	174	-179.1	72.6	0	0	0	110.4	V6 C7 V33 I56 A434 V436 F742	V6-L442 CarbonylContact C-O 3.51Å; V6-L442 VanDerWaalsContact CA-O 3.31Å; V6-L442 WeakPolarHBondContact CA-O 3.43Å; C7-L442 PolarHBondContact N-O 3.27Å; C7-L442 PolarHBondContact O-N 2.96Å; V33-L442 HydrophobicContact CG1-CD1 4.48Å; I56-L442 HydrophobicContact CD1-CD2 3.14Å; I56-L442 HydrophobicContact CG1-CD2 4.18Å; A434-L442 HydrophobicContact CB-CD1 4.24Å; V436-L442 HydrophobicContact CG2-CD1 3.97Å; L442-F742 HydrophobicContact CB-CZ 3.96Å
443	H	95.1	Very high	91.7	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.102	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.4	172.9	-59.2	-113	0	0	0	108.9	L3 V6 F421 A434 G435 D437 K441 L445	L3-H443 HydrophobicContact CD1-CB 4.16Å; V6-H443 WeakPolarHBondContact CG2-ND1 3.38Å; F421-H443 HydrophobicContact CE1-CB 3.73Å; F421-H443 AromaticContact CE1-CD2 3.58Å; F421-H443 AromaticContact CE1-CG 3.62Å; F421-H443 HydrophobicContact CZ-CB 4.11Å; A434-H443 WeakPolarHBondContact CA-O 3.24Å; G435-H443 PolarHBondContact N-O 3.28Å; G435-H443 PolarHBondContact O-N 3.4Å; D437-H443 IonicContact OD2-CD2 3.4Å; D437-H443 IonicContact OD2-CE1 3.81Å; D437-H443 IonicContact OD2-NE2 3.72Å; D437-H443 PolarHBondContact OD2-NE2 3.31Å; K441-H443 PolarHBondContact O-CD2 3.04Å; H443-L445 HydrophobicContact CB-CD1 4.32Å
444	M	96.5	Very high	91.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.8	175	-174.9	58	67	0	0	109.2	A4 Y5 W27 T58 A432 A434 W479	A4-M444 WeakPolarHBondContact CA-O 3.21Å; A4-M444 HydrophobicContact CB-CB 4.48Å; A4-M444 HydrophobicContact CB-CG 4.31Å; A4-M444 WeakPolarHBondContact CB-O 3.37Å; A4-M444 PolarHBondContact N-O 3.4Å; Y5-M444 HydrophobicContact CD1-CB 3.88Å; Y5-M444 HydrophobicContact CD1-CG 4.2Å; Y5-M444 HydrophobicContact CD2-CB 3.87Å; Y5-M444 HydrophobicContact CE1-CB 3.64Å; Y5-M444 HydrophobicContact CE1-CG 3.67Å; Y5-M444 HydrophobicContact CE2-CB 3.58Å; Y5-M444 HydrophobicContact CE2-CG 4.39Å; Y5-M444 HydrophobicContact CG-CB 4.01Å; Y5-M444 VanDerWaalsContact CZ-CB 3.47Å; Y5-M444 PolarHBondContact N-O 3.13Å; Y5-M444 PolarHBondContact O-N 3.09Å; W27-M444 HydrophobicContact CH2-CE 3.6Å; W27-M444 HydrophobicContact CH2-SD 3.55Å; W27-M444 VanDerWaalsContact CH2-SD 3.55Å; W27-M444 HydrophobicContact CZ2-CE 4.29Å; W27-M444 HydrophobicContact CZ3-CE 3.99Å; W27-M444 HydrophobicContact CZ3-SD 3.96Å; T58-M444 HydrophobicContact CG2-CE 3.79Å; A432-M444 HydrophobicContact CB-SD 4.11Å; A434-M444 HydrophobicContact CB-CE 4.04Å; M444-W479 HydrophobicContact CG-CH2 4.1Å; M444-W479 HydrophobicContact SD-CH2 4.45Å; M444-W479 HydrophobicContact SD-CZ3 4.32Å
445	L	95.2	Very high	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.8	-179.6	-56.8	97.1	0	0	0	111.3	E2 L3 I382 F396 A432 L433 H443	E2-L445 CarbonylContact O-C 3.58Å; E2-L445 VanDerWaalsContact O-CA 3.3Å; E2-L445 WeakPolarHBondContact O-CA 3.31Å; L3-L445 HydrophobicContact CD1-CG 4.36Å; I382-L445 HydrophobicContact CD1-CD1 4.43Å; I382-L445 HydrophobicContact CD1-CD2 4.22Å; F396-L445 HydrophobicContact CD1-CD2 3.64Å; F396-L445 HydrophobicContact CD2-CD2 4.31Å; F396-L445 HydrophobicContact CE1-CD2 3.39Å; F396-L445 HydrophobicContact CE2-CD2 4.1Å; F396-L445 HydrophobicContact CG-CD2 4.1Å; F396-L445 HydrophobicContact CZ-CD2 3.64Å; A432-L445 CarbonylContact C-O 3.3Å; A432-L445 VanDerWaalsContact CA-O 3.25Å; A432-L445 WeakPolarHBondContact CA-O 3.4Å; L433-L445 HydrophobicContact CB-CB 4.36Å; L433-L445 PolarHBondContact N-O 2.8Å; L433-L445 WeakPolarHBondContact O-CD1 3.45Å; L433-L445 PolarHBondContact O-N 2.95Å; H443-L445 HydrophobicContact CB-CD1 4.32Å
446	R	94.3	Very high	90.9	Very high	14 Å²	14	35.2 Å²	35.2	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.2	167.6	-56.6	-174.4	-172.4	157.3	11.2	109.8	M1 E2 A4 L483 L732	M1-R446 CarbonylContact C-O 3.56Å; M1-R446 WeakPolarHBondContact CA-O 3.47Å; E2-R446 HydrophobicContact CB-CB 4.48Å; E2-R446 PolarHBondContact N-O 3.44Å; E2-R446 PolarHBondContact O-N 3.29Å; A4-R446 HydrophobicContact CB-CG 4.08Å; R446-L483 HydrophobicContact CG-CB 4.39Å; R446-L483 HydrophobicContact CG-CD1 4.44Å; R446-L732 PolarHBondContact NH1-O 3.23Å; R446-L732 PolarHBondContact NH2-O 3.34Å
447	V	94.3	Very high	90.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.			trans	-109.2	110.8	173.8	-176.7	0	0	0	0	107.5	M1 I384 F426 L431 L433 M451 H484	M1-V447 HydrophobicContact CG-CG2 4.22Å; M1-V447 HydrophobicContact SD-CG2 4.48Å; I384-V447 HydrophobicContact CD1-CG1 3.73Å; F426-V447 HydrophobicContact CE1-CG1 4.39Å; F426-V447 HydrophobicContact CE1-CG2 4.08Å; L431-V447 PolarHBondContact O-N 2.9Å; L433-V447 HydrophobicContact CB-CG2 3.84Å; V447-M451 HydrophobicContact CG1-CE 3.64Å; V447-M451 HydrophobicContact CG1-SD 3.97Å; V447-H484 PolarHBondContact O-CE1 2.9Å; V447-H484 PolarHBondContact O-NE2 2.68Å
448	S	91.6	Very high	90.8	Very high	32 Å²	32	44.3 Å²	44.3	22%	0.224	25%	0.252	C	S	.	.			trans	-62.1	135.1	-178	168	0	0	0	0	110.6	S450 M451 G452	S448-S450 PolarHBondContact O-N 2.73Å; S448-S450 VanDerWaalsContact O-N 3.11Å; S448-S450 PolarHBondContact OG-N 2.95Å; S448-S450 PolarHBondContact OG-OG 2.93Å; S448-M451 PolarHBondContact O-N 2.93Å; S448-G452 PolarHBondContact OG-N 3.42Å
449	P	91.9	Very high	91.4	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.084	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.8	175.2	-18.4	24.9	0	0	0	113.5	C368 P369 L431 L464	C368-P449 WeakPolarHBondContact CA-O 3.5Å; C368-P449 VanDerWaalsContact CB-O 3.26Å; C368-P449 WeakPolarHBondContact CB-O 3.33Å; C368-P449 PolarHBondContact N-O 3.2Å; P369-P449 WeakPolarHBondContact CD-O 3.36Å; P369-P449 HydrophobicContact CG-CB 4.13Å; L431-P449 HydrophobicContact CD1-CG 4.22Å; L431-P449 HydrophobicContact CD2-CB 3.89Å; L431-P449 HydrophobicContact CD2-CG 3.59Å; P449-L464 HydrophobicContact CG-CD2 4.37Å
450	S	91.6	Very high	91.8	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.063	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8.3	-180	66.1	0	0	0	0	113.6	K366 S448 G452 Q453	K366-S450 WeakPolarHBondContact O-CA 3.45Å; S448-S450 PolarHBondContact O-N 2.73Å; S448-S450 VanDerWaalsContact O-N 3.11Å; S448-S450 PolarHBondContact OG-N 2.95Å; S448-S450 PolarHBondContact OG-OG 2.93Å; S450-G452 PolarHBondContact O-N 3.49Å; S450-G452 VanDerWaalsContact O-N 3.17Å; S450-Q453 WeakPolarHBondContact CB-O 3.4Å; S450-Q453 WeakPolarHBondContact O-CB 3.25Å; S450-Q453 WeakPolarHBondContact O-CG 3.44Å; S450-Q453 PolarHBondContact O-N 2.66Å; S450-Q453 VanDerWaalsContact O-N 3.11Å; S450-Q453 PolarHBondContact OG-N 3.35Å; S450-Q453 PolarHBondContact OG-O 2.86Å
451	M	89.6	Confident	92.3	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.148	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	34.2	-173.6	-64.3	-65.7	170.2	0	0	113.8	C368 I384 M393 V447 S448	C368-M451 HydrophobicContact CB-CB 4.46Å; C368-M451 HydrophobicContact CB-CE 4.04Å; C368-M451 HydrophobicContact CB-CG 3.49Å; C368-M451 VanDerWaalsContact CB-CG 3.49Å; I384-M451 HydrophobicContact CD1-CE 4.03Å; I384-M451 HydrophobicContact CD1-SD 3.74Å; I384-M451 HydrophobicContact CG2-CE 3.93Å; I384-M451 HydrophobicContact CG2-SD 4.07Å; M393-M451 HydrophobicContact CB-CG 4.28Å; M393-M451 HydrophobicContact CE-CG 4.08Å; V447-M451 HydrophobicContact CG1-CE 3.64Å; V447-M451 HydrophobicContact CG1-SD 3.97Å; S448-M451 PolarHBondContact O-N 2.93Å
452	G	82.1	Confident	92.5	Very high	59 Å²	59	43.7 Å²	43.7	61%	0.608	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-0.2	176.9	0	0	0	0	0	114.7	S448 S450	S448-G452 PolarHBondContact OG-N 3.42Å; S450-G452 PolarHBondContact O-N 3.49Å; S450-G452 VanDerWaalsContact O-N 3.17Å
453	Q	87.9	Confident	92.5	Very high	95 Å²	95	44 Å²	44	44%	0.444	24%	0.243	S	C	.	.			trans	-69.7	134.7	170.7	-61.8	-176.5	4.6	0	0	110.2	S450 L455	S450-Q453 WeakPolarHBondContact CB-O 3.4Å; S450-Q453 WeakPolarHBondContact O-CB 3.25Å; S450-Q453 WeakPolarHBondContact O-CG 3.44Å; S450-Q453 PolarHBondContact O-N 2.66Å; S450-Q453 VanDerWaalsContact O-N 3.11Å; S450-Q453 PolarHBondContact OG-N 3.35Å; S450-Q453 PolarHBondContact OG-O 2.86Å; Q453-L455 PolarHBondContact O-N 3.47Å
454	V	88.3	Confident	92.6	Very high	146 Å²	146	43 Å²	43	89%	0.885	24%	0.239	S	C	*	.			trans	-71.3	119.8	177	-178.2	0	0	0	0	108.3
455	L	91.7	Very high	92.6	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.199	24%	0.243	C	C	.	.			trans	-108.9	152	175.6	-59.3	-175.9	0	0	0	109.8	K366 Q453 T459 T460	K366-L455 HydrophobicContact CB-CD2 3.8Å; K366-L455 HydrophobicContact CG-CD2 3.92Å; Q453-L455 PolarHBondContact O-N 3.47Å; L455-T459 HydrophobicContact CD1-CG2 4.07Å; L455-T460 WeakPolarHBondContact CB-OG1 3.33Å
456	D	92.9	Very high	92.8	Very high	86 Å²	86	44 Å²	44	46%	0.46	24%	0.244	S	C	.	.			trans	-64.7	160.1	164.8	71.5	91.8	0	0	0	110.4	N458 T459 T460	D456-N458 VanDerWaalsContact C-N 3.27Å; D456-N458 PolarHBondContact O-N 3.02Å; D456-N458 WeakPolarHBondContact OD1-CA 3.17Å; D456-N458 VanDerWaalsContact OD1-CB 3.26Å; D456-N458 WeakPolarHBondContact OD1-CB 3.45Å; D456-N458 PolarHBondContact OD1-N 2.91Å; D456-T459 PolarHBondContact O-N 3.09Å; D456-T459 PolarHBondContact OD1-N 3.43Å; D456-T459 PolarHBondContact OD1-OG1 2.87Å; D456-T459 VanDerWaalsContact OD2-CB 3.25Å; D456-T459 WeakPolarHBondContact OD2-CB 3.4Å; D456-T459 PolarHBondContact OD2-OG1 2.84Å; D456-T460 PolarHBondContact O-N 3.2Å; D456-T460 VanDerWaalsContact O-N 3.08Å; D456-T460 PolarHBondContact O-OG1 3.2Å
457	M	92.3	Very high	92.9	Very high	91 Å²	91	43.3 Å²	43.3	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-36.1	-177	-174.8	60.2	70.5	0	0	112.2	T460 L461 M489	M457-T460 PolarHBondContact O-N 2.91Å; M457-L461 HydrophobicContact CG-CD1 4.01Å; M457-L461 HydrophobicContact CG-CG 4.36Å; M457-L461 WeakPolarHBondContact O-CB 3.44Å; M457-L461 VanDerWaalsContact O-CG 3.22Å; M457-L461 WeakPolarHBondContact O-CG 3.42Å; M457-L461 PolarHBondContact O-N 3.24Å; M457-L461 HydrophobicContact SD-CD1 4.48Å; M457-L461 HydrophobicContact SD-CG 4.29Å; M457-M489 HydrophobicContact CE-CE 3.94Å; M457-M489 HydrophobicContact SD-CE 3.55Å; M457-M489 VanDerWaalsContact SD-CE 3.55Å; M457-M489 HydrophobicContact SD-CG 3.85Å; M457-M489 HydrophobicContact SD-SD 4.43Å
458	N	93.1	Very high	93.1	Very high	101 Å²	101	43.3 Å²	43.3	54%	0.54	24%	0.241	S	C	.	.	H	α-helix	trans	-69.6	-43.2	-177.2	-70.1	-35.2	0	0	0	111.5	D456 L461 R462	D456-N458 VanDerWaalsContact C-N 3.27Å; D456-N458 PolarHBondContact O-N 3.02Å; D456-N458 WeakPolarHBondContact OD1-CA 3.17Å; D456-N458 VanDerWaalsContact OD1-CB 3.26Å; D456-N458 WeakPolarHBondContact OD1-CB 3.45Å; D456-N458 PolarHBondContact OD1-N 2.91Å; N458-L461 PolarHBondContact O-N 3.29Å; N458-R462 WeakPolarHBondContact O-CB 3.42Å; N458-R462 PolarHBondContact O-N 2.96Å
459	T	93.8	Very high	93.4	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.135	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-41.6	175.9	-56.6	0	0	0	0	111.1	L455 D456 L461 R462 H463	L455-T459 HydrophobicContact CD1-CG2 4.07Å; D456-T459 PolarHBondContact O-N 3.09Å; D456-T459 PolarHBondContact OD1-N 3.43Å; D456-T459 PolarHBondContact OD1-OG1 2.87Å; D456-T459 VanDerWaalsContact OD2-CB 3.25Å; D456-T459 WeakPolarHBondContact OD2-CB 3.4Å; D456-T459 PolarHBondContact OD2-OG1 2.84Å; T459-L461 PolarHBondContact O-N 3.42Å; T459-R462 PolarHBondContact O-N 3.43Å; T459-H463 PolarHBondContact O-N 3.12Å
460	T	94.2	Very high	93.6	Very high	35 Å²	35	41.4 Å²	41.4	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-49.7	174.8	-56.2	0	0	0	0	111.6	L455 D456 M457 R462 H463 L464 M489	L455-T460 WeakPolarHBondContact CB-OG1 3.33Å; D456-T460 PolarHBondContact O-N 3.2Å; D456-T460 VanDerWaalsContact O-N 3.08Å; D456-T460 PolarHBondContact O-OG1 3.2Å; M457-T460 PolarHBondContact O-N 2.91Å; T460-R462 VanDerWaalsContact C-N 3.3Å; T460-R462 PolarHBondContact O-N 2.77Å; T460-H463 PolarHBondContact O-N 3.34Å; T460-L464 HydrophobicContact CG2-CD1 4.29Å; T460-L464 WeakPolarHBondContact O-CG 3.34Å; T460-L464 PolarHBondContact O-N 3.02Å; T460-L464 VanDerWaalsContact O-N 3.14Å; T460-M489 HydrophobicContact CG2-CE 3.77Å; T460-M489 HydrophobicContact CG2-SD 4.46Å
461	L	95.6	Very high	93.9	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-40.6	177.1	-72.5	171.2	0	0	0	111.7	M457 N458 T459 L464 L465 M489 N492 L493	M457-L461 HydrophobicContact CG-CD1 4.01Å; M457-L461 HydrophobicContact CG-CG 4.36Å; M457-L461 WeakPolarHBondContact O-CB 3.44Å; M457-L461 VanDerWaalsContact O-CG 3.22Å; M457-L461 WeakPolarHBondContact O-CG 3.42Å; M457-L461 PolarHBondContact O-N 3.24Å; M457-L461 HydrophobicContact SD-CD1 4.48Å; M457-L461 HydrophobicContact SD-CG 4.29Å; N458-L461 PolarHBondContact O-N 3.29Å; T459-L461 PolarHBondContact O-N 3.42Å; L461-L464 PolarHBondContact O-N 3.36Å; L461-L465 WeakPolarHBondContact O-CB 3.48Å; L461-L465 PolarHBondContact O-N 3.29Å; L461-M489 HydrophobicContact CD2-CB 3.81Å; L461-M489 HydrophobicContact CD2-CG 4Å; L461-N492 HydrophobicContact CD1-CB 3.99Å; L461-N492 HydrophobicContact CD2-CB 4.28Å; L461-L493 HydrophobicContact CB-CD2 4.48Å; L461-L493 HydrophobicContact CD2-CD1 4.31Å; L461-L493 HydrophobicContact CD2-CD2 3.69Å; L461-L493 HydrophobicContact CD2-CG 3.65Å
462	R	95.1	Very high	94.2	Very high	122 Å²	122	39.5 Å²	39.5	46%	0.46	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-44.9	178.3	-173.4	-174.5	-67.6	149.7	-1.6	111.7	N458 T459 T460 L465 F466	N458-R462 WeakPolarHBondContact O-CB 3.42Å; N458-R462 PolarHBondContact O-N 2.96Å; T459-R462 PolarHBondContact O-N 3.43Å; T460-R462 VanDerWaalsContact C-N 3.3Å; T460-R462 PolarHBondContact O-N 2.77Å; R462-L465 PolarHBondContact O-N 3.09Å; R462-F466 WeakPolarHBondContact O-CB 3.42Å; R462-F466 PolarHBondContact O-N 2.67Å
463	H	95.8	Very high	94.8	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-45	178.4	-67.4	173.7	0	0	0	112.4	T365 F367 T459 T460 F466 L467	T365-H463 PolarHBondContact O-CE1 3.29Å; T365-H463 PolarHBondContact O-NE2 3.43Å; F367-H463 HydrophobicContact CD2-CB 4.09Å; F367-H463 AromaticContact CD2-CD2 3.68Å; F367-H463 AromaticContact CD2-CG 3.76Å; F367-H463 HydrophobicContact CE2-CB 4.37Å; T459-H463 PolarHBondContact O-N 3.12Å; T460-H463 PolarHBondContact O-N 3.34Å; H463-F466 PolarHBondContact O-N 2.96Å; H463-L467 PolarHBondContact O-N 3.45Å
464	L	97.3	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-43.3	178.2	-64	176.5	0	0	0	111.2	L431 P449 T460 L461 F466 L467 L468 V481 H484 V485 M489 L493	L431-L464 HydrophobicContact CD1-CD2 4.45Å; P449-L464 HydrophobicContact CG-CD2 4.37Å; T460-L464 HydrophobicContact CG2-CD1 4.29Å; T460-L464 WeakPolarHBondContact O-CG 3.34Å; T460-L464 PolarHBondContact O-N 3.02Å; T460-L464 VanDerWaalsContact O-N 3.14Å; L461-L464 PolarHBondContact O-N 3.36Å; L464-F466 PolarHBondContact O-N 3.23Å; L464-L467 PolarHBondContact O-N 3.28Å; L464-L468 VanDerWaalsContact O-CG 3.31Å; L464-L468 WeakPolarHBondContact O-CG 3.31Å; L464-L468 PolarHBondContact O-N 3.29Å; L464-V481 HydrophobicContact CB-CG1 4.49Å; L464-V481 HydrophobicContact CD2-CG1 3.97Å; L464-H484 HydrophobicContact CD2-CB 3.85Å; L464-V485 HydrophobicContact CD1-CG2 4.18Å; L464-M489 HydrophobicContact CD1-SD 4.11Å; L464-L493 HydrophobicContact CB-CD2 4.24Å; L464-L493 HydrophobicContact CD1-CD1 4.46Å
465	L	97.3	Very high	95.3	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-47.5	176.8	-177.8	64.9	0	0	0	111.4	L461 R462 L467 L468 E469 L493 K496 L497 E500	L461-L465 WeakPolarHBondContact O-CB 3.48Å; L461-L465 PolarHBondContact O-N 3.29Å; R462-L465 PolarHBondContact O-N 3.09Å; L465-L467 VanDerWaalsContact C-N 3.29Å; L465-L467 PolarHBondContact O-N 2.84Å; L465-L468 PolarHBondContact O-N 2.99Å; L465-L468 VanDerWaalsContact O-N 3.13Å; L465-E469 VanDerWaalsContact O-CG 3.28Å; L465-E469 WeakPolarHBondContact O-CG 3.49Å; L465-E469 PolarHBondContact O-N 3.13Å; L465-L493 HydrophobicContact CB-CD2 4.36Å; L465-K496 HydrophobicContact CD1-CB 4.47Å; L465-K496 HydrophobicContact CD2-CB 3.96Å; L465-L497 HydrophobicContact CD1-CB 3.72Å; L465-L497 HydrophobicContact CD1-CD1 3.85Å; L465-L497 HydrophobicContact CD1-CG 4.4Å; L465-E500 HydrophobicContact CD2-CG 4.2Å
466	F	97.4	Very high	95.4	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-59.4	-38.6	179.3	-175.2	-135.2	0	0	0	112.9	L136 H137 K149 F150 F367 R462 H463 L464 Y470	L136-F466 HydrophobicContact CD1-CE1 4.24Å; L136-F466 HydrophobicContact CD1-CZ 4.36Å; L136-F466 HydrophobicContact CD2-CE1 3.4Å; L136-F466 VanDerWaalsContact CD2-CE1 3.4Å; L136-F466 HydrophobicContact CD2-CZ 3.55Å; L136-F466 HydrophobicContact CG-CE1 3.98Å; L136-F466 HydrophobicContact CG-CZ 3.79Å; H137-F466 WeakPolarHBondContact O-CZ 3.24Å; K149-F466 HydrophobicContact CB-CE2 3.96Å; K149-F466 HydrophobicContact CD-CD2 4Å; K149-F466 HydrophobicContact CD-CE2 3.86Å; K149-F466 HydrophobicContact CG-CE2 3.98Å; F150-F466 HydrophobicContact CE1-CD2 4.12Å; F150-F466 AromaticContact CE1-CE2 3.6Å; F150-F466 HydrophobicContact CE1-CE2 3.6Å; F150-F466 HydrophobicContact CE1-CZ 4.14Å; F150-F466 HydrophobicContact CZ-CD2 4.01Å; F150-F466 AromaticContact CZ-CE2 3.86Å; F150-F466 HydrophobicContact CZ-CE2 3.86Å; F367-F466 HydrophobicContact CE2-CD1 4.07Å; F367-F466 HydrophobicContact CZ-CD1 4.02Å; F367-F466 HydrophobicContact CZ-CE1 4.29Å; R462-F466 WeakPolarHBondContact O-CB 3.42Å; R462-F466 PolarHBondContact O-N 2.67Å; H463-F466 PolarHBondContact O-N 2.96Å; L464-F466 PolarHBondContact O-N 3.23Å; F466-Y470 PolarHBondContact O-N 2.78Å
467	L	97.9	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-74.1	-35.3	175.5	-69.6	175	0	0	0	113	L350 F367 P369 L431 H463 L464 L465 Y470 C471 V481	L350-L467 HydrophobicContact CD1-CD2 4.45Å; L350-L467 HydrophobicContact CD2-CD2 3.94Å; F367-L467 HydrophobicContact CE2-CD1 4.38Å; F367-L467 HydrophobicContact CE2-CD2 4.4Å; F367-L467 HydrophobicContact CE2-CG 4.21Å; F367-L467 HydrophobicContact CZ-CD2 3.95Å; F367-L467 HydrophobicContact CZ-CG 4.27Å; P369-L467 HydrophobicContact CG-CD1 4.14Å; L431-L467 HydrophobicContact CD1-CD1 3.49Å; L431-L467 VanDerWaalsContact CD1-CD1 3.49Å; L431-L467 HydrophobicContact CD2-CD1 4.32Å; L431-L467 HydrophobicContact CG-CD1 3.96Å; H463-L467 PolarHBondContact O-N 3.45Å; L464-L467 PolarHBondContact O-N 3.28Å; L465-L467 VanDerWaalsContact C-N 3.29Å; L465-L467 PolarHBondContact O-N 2.84Å; L467-Y470 WeakPolarHBondContact O-CB 2.95Å; L467-Y470 PolarHBondContact O-N 2.92Å; L467-C471 PolarHBondContact O-N 2.73Å; L467-C471 PolarHBondContact O-SG 2.8Å; L467-V481 HydrophobicContact CB-CG1 4.37Å; L467-V481 HydrophobicContact CB-CG2 4.01Å
468	L	98.1	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-41.6	173.4	-71.5	170.8	0	0	0	111.4	L464 L465 Y470 C471 M472 W478 V481 V519 L523	L464-L468 VanDerWaalsContact O-CG 3.31Å; L464-L468 WeakPolarHBondContact O-CG 3.31Å; L464-L468 PolarHBondContact O-N 3.29Å; L465-L468 PolarHBondContact O-N 2.99Å; L465-L468 VanDerWaalsContact O-N 3.13Å; L468-Y470 VanDerWaalsContact C-N 3.35Å; L468-C471 PolarHBondContact O-N 2.75Å; L468-M472 WeakPolarHBondContact O-CB 3.33Å; L468-M472 PolarHBondContact O-N 3.08Å; L468-W478 HydrophobicContact CD2-CB 4.09Å; L468-V481 HydrophobicContact CD2-CB 4.21Å; L468-V481 HydrophobicContact CD2-CG1 3.94Å; L468-V481 HydrophobicContact CG-CG1 3.96Å; L468-V519 HydrophobicContact CD2-CG1 4.06Å; L468-L523 HydrophobicContact CD1-CD1 4.19Å; L468-L523 HydrophobicContact CD1-CD2 4.18Å
469	E	97.6	Very high	95.9	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-46.1	172.6	-69	168.1	-176.9	0	0	111	F146 K149 F150 L465 C471 M472 V473 L497	F146-E469 HydrophobicContact CE1-CB 4.2Å; F146-E469 HydrophobicContact CE1-CG 3.74Å; F146-E469 HydrophobicContact CZ-CB 4.43Å; F146-E469 HydrophobicContact CZ-CG 3.96Å; K149-E469 WeakPolarHBondContact CD-OE2 3.36Å; K149-E469 WeakPolarHBondContact CE-OE2 3.48Å; K149-E469 VanDerWaalsContact NZ-CD 3.3Å; K149-E469 IonicContact NZ-OE1 3.29Å; K149-E469 PolarHBondContact NZ-OE1 2.98Å; K149-E469 VanDerWaalsContact NZ-OE1 3.16Å; K149-E469 IonicContact NZ-OE2 3.4Å; K149-E469 PolarHBondContact NZ-OE2 3.43Å; F150-E469 HydrophobicContact CE2-CB 3.89Å; F150-E469 HydrophobicContact CZ-CB 3.84Å; L465-E469 VanDerWaalsContact O-CG 3.28Å; L465-E469 WeakPolarHBondContact O-CG 3.49Å; L465-E469 PolarHBondContact O-N 3.13Å; E469-C471 PolarHBondContact O-N 3.45Å; E469-M472 WeakPolarHBondContact O-CB 3.29Å; E469-M472 PolarHBondContact O-N 3.44Å; E469-V473 WeakPolarHBondContact O-CG2 3.49Å; E469-V473 PolarHBondContact O-N 2.85Å; E469-L497 HydrophobicContact CG-CD1 4.08Å
470	Y	97.1	Very high	96	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-48.3	175.7	177.2	-103.6	0	0	0	111.8	L136 F150 L350 P351 F466 L467 L468 M472 V473 T474 Y476	L136-Y470 HydrophobicContact CB-CE2 4.48Å; L136-Y470 HydrophobicContact CD1-CD2 3.85Å; L136-Y470 HydrophobicContact CD1-CE2 4.32Å; L136-Y470 HydrophobicContact CD1-CG 4Å; F150-Y470 AromaticContact CD1-CD2 3.71Å; F150-Y470 HydrophobicContact CD1-CD2 3.71Å; F150-Y470 AromaticContact CE1-CD2 3.89Å; F150-Y470 HydrophobicContact CE1-CD2 3.89Å; F150-Y470 HydrophobicContact CE1-CG 4.29Å; F150-Y470 HydrophobicContact CG-CD2 4.38Å; L350-Y470 HydrophobicContact CD1-CD1 3.88Å; L350-Y470 HydrophobicContact CD1-CE1 3.54Å; P351-Y470 WeakPolarHBondContact CD-OH 3.38Å; P351-Y470 HydrophobicContact CG-CE2 4.48Å; P351-Y470 WeakPolarHBondContact CG-OH 3.45Å; F466-Y470 PolarHBondContact O-N 2.78Å; L467-Y470 WeakPolarHBondContact O-CB 2.95Å; L467-Y470 PolarHBondContact O-N 2.92Å; L468-Y470 VanDerWaalsContact C-N 3.35Å; Y470-M472 VanDerWaalsContact C-N 3.31Å; Y470-M472 PolarHBondContact O-N 2.79Å; Y470-V473 PolarHBondContact O-N 2.97Å; Y470-T474 HydrophobicContact CD1-CG2 4.45Å; Y470-T474 HydrophobicContact CD2-CG2 3.89Å; Y470-T474 HydrophobicContact CE1-CG2 4.1Å; Y470-T474 HydrophobicContact CE2-CG2 3.49Å; Y470-T474 VanDerWaalsContact CE2-CG2 3.49Å; Y470-T474 HydrophobicContact CG-CG2 4.35Å; Y470-T474 WeakPolarHBondContact O-CB 3.46Å; Y470-T474 VanDerWaalsContact O-CG2 3.32Å; Y470-T474 WeakPolarHBondContact O-CG2 3.42Å; Y470-T474 PolarHBondContact O-N 2.88Å; Y470-T474 PolarHBondContact O-OG1 2.67Å; Y470-Y476 AromaticContact CE1-CD2 3.9Å; Y470-Y476 HydrophobicContact CE1-CD2 3.9Å; Y470-Y476 HydrophobicContact CE1-CE2 4.27Å
471	C	96.9	Very high	96.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-40.2	177	-64.4	0	0	0	0	111.6	L467 L468 E469 T474 G475 Y476 W478	L467-C471 PolarHBondContact O-N 2.73Å; L467-C471 PolarHBondContact O-SG 2.8Å; L468-C471 PolarHBondContact O-N 2.75Å; E469-C471 PolarHBondContact O-N 3.45Å; C471-T474 PolarHBondContact O-OG1 2.98Å; C471-G475 VanDerWaalsContact O-CA 3.31Å; C471-G475 WeakPolarHBondContact O-CA 3.47Å; C471-G475 PolarHBondContact O-N 2.94Å; C471-Y476 WeakPolarHBondContact CB-O 3.33Å; C471-Y476 PolarHBondContact O-N 3.02Å; C471-W478 HydrophobicContact CB-CB 3.9Å; C471-W478 HydrophobicContact CB-CE3 4.45Å
472	M	95.4	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-43.3	178.3	-175.9	170.5	66.5	0	0	112.3	F146 L468 E469 Y470 L497 L512 R515 I516	F146-M472 HydrophobicContact CE2-CE 3.5Å; F146-M472 VanDerWaalsContact CE2-CE 3.5Å; F146-M472 HydrophobicContact CZ-CE 3.79Å; L468-M472 WeakPolarHBondContact O-CB 3.33Å; L468-M472 PolarHBondContact O-N 3.08Å; E469-M472 WeakPolarHBondContact O-CB 3.29Å; E469-M472 PolarHBondContact O-N 3.44Å; Y470-M472 VanDerWaalsContact C-N 3.31Å; Y470-M472 PolarHBondContact O-N 2.79Å; M472-L497 HydrophobicContact CE-CD1 4.19Å; M472-L512 HydrophobicContact CE-CD1 4.1Å; M472-L512 HydrophobicContact CG-CB 4.44Å; M472-L512 HydrophobicContact CG-CD1 4.32Å; M472-L512 HydrophobicContact CG-CD2 4.14Å; M472-L512 WeakPolarHBondContact O-CD2 3.23Å; M472-R515 HydrophobicContact CG-CB 3.96Å; M472-R515 WeakPolarHBondContact O-CD 3.23Å; M472-R515 PolarHBondContact O-NH1 3.5Å; M472-I516 HydrophobicContact SD-CB 3.73Å; M472-I516 HydrophobicContact SD-CG1 4.39Å
473	V	94.9	Very high	96.2	Very high	43 Å²	43	11.6 Å²	11.6	26%	0.261	7%	0.07	S	C	.	.	H	α-helix	trans	-70.9	-46.7	179.2	172	0	0	0	0	111.3	F146 F150 E469 Y470 L512 R515	F146-V473 HydrophobicContact CB-CG2 4.23Å; F146-V473 HydrophobicContact CD2-CG2 3.76Å; F146-V473 HydrophobicContact CE2-CG2 4.47Å; F146-V473 HydrophobicContact CG-CG2 4.19Å; F150-V473 HydrophobicContact CD2-CB 4.18Å; F150-V473 HydrophobicContact CD2-CG1 4.32Å; F150-V473 HydrophobicContact CD2-CG2 3.91Å; F150-V473 HydrophobicContact CE2-CG2 4.15Å; E469-V473 WeakPolarHBondContact O-CG2 3.49Å; E469-V473 PolarHBondContact O-N 2.85Å; Y470-V473 PolarHBondContact O-N 2.97Å; V473-L512 HydrophobicContact CG2-CD1 4.22Å; V473-R515 PolarHBondContact O-NH1 3.25Å
474	T	93.4	Very high	96.1	Very high	29 Å²	29	12.6 Å²	12.6	18%	0.178	8%	0.075	C	C	.	.	H	α-helix	trans	-74.2	-28.4	-178.3	57.3	0	0	0	0	113.5	L134 Y470 C471 Y476	L134-T474 HydrophobicContact CD1-CG2 3.6Å; Y470-T474 HydrophobicContact CD1-CG2 4.45Å; Y470-T474 HydrophobicContact CD2-CG2 3.89Å; Y470-T474 HydrophobicContact CE1-CG2 4.1Å; Y470-T474 HydrophobicContact CE2-CG2 3.49Å; Y470-T474 VanDerWaalsContact CE2-CG2 3.49Å; Y470-T474 HydrophobicContact CG-CG2 4.35Å; Y470-T474 WeakPolarHBondContact O-CB 3.46Å; Y470-T474 VanDerWaalsContact O-CG2 3.32Å; Y470-T474 WeakPolarHBondContact O-CG2 3.42Å; Y470-T474 PolarHBondContact O-N 2.88Å; Y470-T474 PolarHBondContact O-OG1 2.67Å; C471-T474 PolarHBondContact O-OG1 2.98Å; T474-Y476 VanDerWaalsContact C-N 3.27Å; T474-Y476 PolarHBondContact OG1-N 3.44Å
475	G	93.3	Very high	96	Very high	44 Å²	44	12.6 Å²	12.6	45%	0.454	8%	0.075	S	C	.	.			trans	78.8	9.8	-169.2	0	0	0	0	0	113.5	C471	C471-G475 VanDerWaalsContact O-CA 3.31Å; C471-G475 WeakPolarHBondContact O-CA 3.47Å; C471-G475 PolarHBondContact O-N 2.94Å
476	Y	94.9	Very high	95.8	Very high	35 Å²	35	14.4 Å²	14.4	14%	0.137	8%	0.083	C	C	.	.			trans	-68.1	151	170.4	-65.3	-11.2	0	0	0	110.7	C29 W428 Y470 C471 T474	C29-Y476 HydrophobicContact CB-CD1 3.59Å; C29-Y476 HydrophobicContact CB-CE1 3.73Å; C29-Y476 HydrophobicContact CB-CG 4.08Å; W428-Y476 HydrophobicContact CB-CD2 4.49Å; W428-Y476 HydrophobicContact CD2-CE2 4.38Å; W428-Y476 AromaticContact CE3-CD2 3.97Å; W428-Y476 HydrophobicContact CE3-CD2 3.97Å; W428-Y476 AromaticContact CE3-CE2 3.4Å; W428-Y476 HydrophobicContact CE3-CE2 3.4Å; W428-Y476 VanDerWaalsContact CE3-CE2 3.4Å; W428-Y476 AromaticContact CE3-CZ 3.78Å; W428-Y476 AromaticContact CZ3-CE2 3.73Å; W428-Y476 HydrophobicContact CZ3-CE2 3.73Å; W428-Y476 AromaticContact CZ3-CZ 3.65Å; W428-Y476 WeakPolarHBondContact CZ3-OH 3.42Å; Y470-Y476 AromaticContact CE1-CD2 3.9Å; Y470-Y476 HydrophobicContact CE1-CD2 3.9Å; Y470-Y476 HydrophobicContact CE1-CE2 4.27Å; C471-Y476 WeakPolarHBondContact CB-O 3.33Å; C471-Y476 PolarHBondContact O-N 3.02Å; T474-Y476 VanDerWaalsContact C-N 3.27Å; T474-Y476 PolarHBondContact OG1-N 3.44Å
477	D	95.9	Very high	95.5	Very high	27 Å²	27	16.7 Å²	16.7	14%	0.144	10%	0.098	C	C	.	.			trans	-73.1	135.8	-180	-168.4	-58.1	0	0	0	110.9	C29 N31 W479 R790	C29-D477 PolarHBondContact O-N 3.41Å; N31-D477 HydrophobicContact CB-CB 4.11Å; N31-D477 WeakPolarHBondContact ND2-CB 3.46Å; N31-D477 PolarHBondContact ND2-O 3.28Å; N31-D477 PolarHBondContact ND2-OD1 2.76Å; D477-W479 VanDerWaalsContact OD1-CB 3.24Å; D477-W479 WeakPolarHBondContact OD1-CB 3.41Å; D477-W479 PolarHBondContact OD1-N 3.38Å; D477-R790 IonicContact OD1-NH2 2.92Å; D477-R790 IonicContact OD2-CZ 3.93Å; D477-R790 IonicContact OD2-NH2 2.71Å; D477-R790 PolarHBondContact OD2-NH2 2.84Å
478	W	96.9	Very high	95.2	Very high	13 Å²	13	21 Å²	21	5%	0.049	13%	0.128	C	C	.	.			trans	-97.3	8.4	-173.3	53.4	80	0	0	0	114.3	L468 C471 D480 V481 L482 A518 V519 S522	L468-W478 HydrophobicContact CD2-CB 4.09Å; C471-W478 HydrophobicContact CB-CB 3.9Å; C471-W478 HydrophobicContact CB-CE3 4.45Å; W478-D480 VanDerWaalsContact C-N 3.29Å; W478-D480 PolarHBondContact O-N 3.22Å; W478-V481 WeakPolarHBondContact O-CB 3.11Å; W478-V481 PolarHBondContact O-N 3.29Å; W478-L482 PolarHBondContact O-N 3.35Å; W478-A518 HydrophobicContact CH2-CB 4.08Å; W478-A518 HydrophobicContact CZ2-CB 4.29Å; W478-V519 HydrophobicContact CD2-CG2 3.89Å; W478-V519 HydrophobicContact CE3-CG2 3.83Å; W478-V519 HydrophobicContact CH2-CG2 3.71Å; W478-V519 HydrophobicContact CZ2-CB 4.47Å; W478-V519 HydrophobicContact CZ2-CG2 3.81Å; W478-V519 HydrophobicContact CZ3-CG2 3.75Å; W478-S522 PolarHBondContact NE1-OG 2.86Å
479	W	96.1	Very high	95.1	Very high	10 Å²	10	21.7 Å²	21.7	4%	0.038	13%	0.131	C	C	.	.	H	α-helix	trans	-53.5	-41.7	-176	-179.9	92.2	0	0	0	113.6	Y5 N31 T58 E59 M444 D477 V481 L482 L483 I728 I729 L732	Y5-W479 HydrophobicContact CE1-CH2 4.12Å; Y5-W479 HydrophobicContact CE1-CZ2 4.31Å; N31-W479 HydrophobicContact CB-CB 4.44Å; N31-W479 VanDerWaalsContact ND2-CB 3.28Å; N31-W479 WeakPolarHBondContact ND2-CB 3.2Å; N31-W479 PolarHBondContact ND2-N 2.66Å; T58-W479 HydrophobicContact CG2-CE3 4.43Å; T58-W479 HydrophobicContact CG2-CH2 4.49Å; T58-W479 HydrophobicContact CG2-CZ3 4.18Å; T58-W479 VanDerWaalsContact O-CZ2 3.23Å; T58-W479 WeakPolarHBondContact O-CZ2 3.19Å; T58-W479 VanDerWaalsContact OG1-CD2 3.31Å; E59-W479 VanDerWaalsContact OE2-CD1 3.28Å; E59-W479 PolarHBondContact OE2-NE1 3.4Å; M444-W479 HydrophobicContact CG-CH2 4.1Å; M444-W479 HydrophobicContact SD-CH2 4.45Å; M444-W479 HydrophobicContact SD-CZ3 4.32Å; D477-W479 VanDerWaalsContact OD1-CB 3.24Å; D477-W479 WeakPolarHBondContact OD1-CB 3.41Å; D477-W479 PolarHBondContact OD1-N 3.38Å; W479-V481 VanDerWaalsContact C-N 3.3Å; W479-V481 PolarHBondContact O-N 2.94Å; W479-L482 WeakPolarHBondContact O-CB 3.39Å; W479-L482 PolarHBondContact O-N 2.81Å; W479-L482 VanDerWaalsContact O-N 3.1Å; W479-L483 HydrophobicContact CE3-CD1 4.21Å; W479-L483 HydrophobicContact CE3-CG 4.44Å; W479-L483 HydrophobicContact CH2-CD1 3.93Å; W479-L483 HydrophobicContact CH2-CD2 3.88Å; W479-L483 HydrophobicContact CH2-CG 4.21Å; W479-L483 HydrophobicContact CZ2-CD2 4.06Å; W479-L483 HydrophobicContact CZ3-CD1 3.62Å; W479-L483 HydrophobicContact CZ3-CD2 4.33Å; W479-L483 HydrophobicContact CZ3-CG 4.14Å; W479-L483 PolarHBondContact O-N 2.91Å; W479-I728 HydrophobicContact CZ2-CG2 4.27Å; W479-I729 HydrophobicContact CZ2-CD1 4.47Å; W479-L732 HydrophobicContact CZ2-CD1 4.16Å
480	D	96	Very high	95	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-29	179.9	62.1	-10.4	0	0	0	112.9	S427 T429 L431 A432 W478 L483 H484	S427-D480 WeakPolarHBondContact CB-OD2 3.33Å; S427-D480 PolarHBondContact OG-OD2 3.45Å; T429-D480 WeakPolarHBondContact CB-OD2 3.41Å; T429-D480 PolarHBondContact N-OD2 3.13Å; T429-D480 PolarHBondContact OG1-OD1 2.76Å; T429-D480 PolarHBondContact OG1-OD2 3.26Å; L431-D480 HydrophobicContact CB-CB 4.44Å; A432-D480 HydrophobicContact CB-CB 3.99Å; W478-D480 VanDerWaalsContact C-N 3.29Å; W478-D480 PolarHBondContact O-N 3.22Å; D480-L483 WeakPolarHBondContact O-CB 3.43Å; D480-L483 PolarHBondContact O-N 3.12Å; D480-H484 PolarHBondContact O-CD2 2.91Å
481	V	97.5	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-39.4	170.5	-170.1	0	0	0	0	110.8	T429 L431 L464 L467 L468 W478 W479 L483 H484	T429-V481 HydrophobicContact CG2-CG2 3.89Å; L431-V481 HydrophobicContact CD1-CB 4.41Å; L431-V481 HydrophobicContact CD1-CG1 4.39Å; L431-V481 HydrophobicContact CD1-CG2 4.28Å; L464-V481 HydrophobicContact CB-CG1 4.49Å; L464-V481 HydrophobicContact CD2-CG1 3.97Å; L467-V481 HydrophobicContact CB-CG1 4.37Å; L467-V481 HydrophobicContact CB-CG2 4.01Å; L468-V481 HydrophobicContact CD2-CB 4.21Å; L468-V481 HydrophobicContact CD2-CG1 3.94Å; L468-V481 HydrophobicContact CG-CG1 3.96Å; W478-V481 WeakPolarHBondContact O-CB 3.11Å; W478-V481 PolarHBondContact O-N 3.29Å; W479-V481 VanDerWaalsContact C-N 3.3Å; W479-V481 PolarHBondContact O-N 2.94Å; V481-L483 PolarHBondContact O-N 3.18Å; V481-H484 PolarHBondContact O-N 3.07Å; V481-H484 VanDerWaalsContact O-N 3.13Å
482	L	95.9	Very high	94.8	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-24.8	179.3	-57.1	-176.9	0	0	0	113	W478 W479 H484 V485 L523 L526 I729	W478-L482 PolarHBondContact O-N 3.35Å; W479-L482 WeakPolarHBondContact O-CB 3.39Å; W479-L482 PolarHBondContact O-N 2.81Å; W479-L482 VanDerWaalsContact O-N 3.1Å; L482-H484 PolarHBondContact O-N 3.38Å; L482-H484 VanDerWaalsContact O-N 3.13Å; L482-V485 PolarHBondContact O-N 3.39Å; L482-L523 HydrophobicContact CD2-CD2 3.84Å; L482-L523 HydrophobicContact CD2-CG 4.48Å; L482-L526 HydrophobicContact CB-CD1 4.13Å; L482-L526 HydrophobicContact CD2-CD1 4.11Å; L482-I729 HydrophobicContact CB-CD1 3.92Å; L482-I729 HydrophobicContact CB-CG1 3.8Å; L482-I729 HydrophobicContact CD1-CG1 4.37Å
483	L	94.1	Very high	95	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.7	175.7	-68.7	172.3	0	0	0	113.4	A432 R446 W479 D480 V481 I729 L732	A432-L483 HydrophobicContact CB-CD1 3.82Å; R446-L483 HydrophobicContact CG-CB 4.39Å; R446-L483 HydrophobicContact CG-CD1 4.44Å; W479-L483 HydrophobicContact CE3-CD1 4.21Å; W479-L483 HydrophobicContact CE3-CG 4.44Å; W479-L483 HydrophobicContact CH2-CD1 3.93Å; W479-L483 HydrophobicContact CH2-CD2 3.88Å; W479-L483 HydrophobicContact CH2-CG 4.21Å; W479-L483 HydrophobicContact CZ2-CD2 4.06Å; W479-L483 HydrophobicContact CZ3-CD1 3.62Å; W479-L483 HydrophobicContact CZ3-CD2 4.33Å; W479-L483 HydrophobicContact CZ3-CG 4.14Å; W479-L483 PolarHBondContact O-N 2.91Å; D480-L483 WeakPolarHBondContact O-CB 3.43Å; D480-L483 PolarHBondContact O-N 3.12Å; V481-L483 PolarHBondContact O-N 3.18Å; L483-I729 HydrophobicContact CD2-CD1 3.63Å; L483-I729 HydrophobicContact CG-CD1 4.07Å; L483-L732 HydrophobicContact CD2-CD1 3.6Å
484	H	94.4	Very high	95	Very high	28 Å²	28	27.3 Å²	27.3	13%	0.13	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-6.7	-176.8	-63.4	-83.2	0	0	0	113.2	L431 V447 L464 D480 V481 L482 Q486	L431-H484 PolarHBondContact O-NE2 2.85Å; V447-H484 PolarHBondContact O-CE1 2.9Å; V447-H484 PolarHBondContact O-NE2 2.68Å; L464-H484 HydrophobicContact CD2-CB 3.85Å; D480-H484 PolarHBondContact O-CD2 2.91Å; V481-H484 PolarHBondContact O-N 3.07Å; V481-H484 VanDerWaalsContact O-N 3.13Å; L482-H484 PolarHBondContact O-N 3.38Å; L482-H484 VanDerWaalsContact O-N 3.13Å; H484-Q486 PolarHBondContact O-N 2.99Å
485	V	94.9	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.			trans	-80.1	112.5	177.6	177	0	0	0	0	109.3	L464 L482 M489 V490 L493 L523 L526 Q733	L464-V485 HydrophobicContact CD1-CG2 4.18Å; L482-V485 PolarHBondContact O-N 3.39Å; V485-M489 HydrophobicContact CG1-CB 4.4Å; V485-V490 HydrophobicContact CG1-CG2 4.02Å; V485-L493 HydrophobicContact CB-CD1 4.35Å; V485-L493 HydrophobicContact CG1-CD1 3.7Å; V485-L493 HydrophobicContact CG2-CD1 3.77Å; V485-L523 HydrophobicContact CG1-CD2 4.09Å; V485-L523 HydrophobicContact CG2-CD2 4.03Å; V485-L526 HydrophobicContact CB-CD1 3.63Å; V485-L526 HydrophobicContact CG1-CD1 3.67Å; V485-L526 HydrophobicContact CG2-CD1 4.46Å; V485-Q733 PolarHBondContact O-OE1 3.1Å
486	Q	92.3	Very high	95.3	Very high	55 Å²	55	30.2 Å²	30.2	26%	0.257	16%	0.156	S	C	.	.			trans	-80.5	153.5	174.2	-61.7	-59.8	-55.4	0	0	111.3	H484 S488 M489	H484-Q486 PolarHBondContact O-N 2.99Å; Q486-S488 PolarHBondContact O-N 3.19Å; Q486-S488 VanDerWaalsContact O-N 3.09Å; Q486-M489 HydrophobicContact CB-CE 4.26Å; Q486-M489 HydrophobicContact CB-CG 4.18Å; Q486-M489 HydrophobicContact CB-SD 3.96Å; Q486-M489 HydrophobicContact CG-CE 4.06Å; Q486-M489 HydrophobicContact CG-SD 4.17Å; Q486-M489 WeakPolarHBondContact O-CB 3.31Å; Q486-M489 PolarHBondContact O-N 2.76Å
487	P	92	Very high	95.4	Very high	52 Å²	52	28.5 Å²	28.5	34%	0.338	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-53.7	-34.6	-179.8	-28.2	34.4	0	0	0	114.3	M489 V490	P487-M489 VanDerWaalsContact C-N 3.29Å; P487-M489 PolarHBondContact O-N 2.97Å; P487-V490 PolarHBondContact O-N 3.37Å
488	S	92.6	Very high	95.4	Very high	90 Å²	90	30.2 Å²	30.2	63%	0.629	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-70.9	-19.5	177.4	56.8	0	0	0	0	114.3	Q486	Q486-S488 PolarHBondContact O-N 3.19Å; Q486-S488 VanDerWaalsContact O-N 3.09Å
489	M	95.6	Very high	95.4	Very high	14 Å²	14	34 Å²	34	7%	0.069	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-86.3	-20.7	-180	-63.7	171.2	177.9	0	0	112.6	M457 T460 L461 L464 V485 Q486 P487 H491 N492 L493	M457-M489 HydrophobicContact CE-CE 3.94Å; M457-M489 HydrophobicContact SD-CE 3.55Å; M457-M489 VanDerWaalsContact SD-CE 3.55Å; M457-M489 HydrophobicContact SD-CG 3.85Å; M457-M489 HydrophobicContact SD-SD 4.43Å; T460-M489 HydrophobicContact CG2-CE 3.77Å; T460-M489 HydrophobicContact CG2-SD 4.46Å; L461-M489 HydrophobicContact CD2-CB 3.81Å; L461-M489 HydrophobicContact CD2-CG 4Å; L464-M489 HydrophobicContact CD1-SD 4.11Å; V485-M489 HydrophobicContact CG1-CB 4.4Å; Q486-M489 HydrophobicContact CB-CE 4.26Å; Q486-M489 HydrophobicContact CB-CG 4.18Å; Q486-M489 HydrophobicContact CB-SD 3.96Å; Q486-M489 HydrophobicContact CG-CE 4.06Å; Q486-M489 HydrophobicContact CG-SD 4.17Å; Q486-M489 WeakPolarHBondContact O-CB 3.31Å; Q486-M489 PolarHBondContact O-N 2.76Å; P487-M489 VanDerWaalsContact C-N 3.29Å; P487-M489 PolarHBondContact O-N 2.97Å; M489-H491 PolarHBondContact O-N 3.37Å; M489-N492 PolarHBondContact O-N 3.26Å; M489-L493 HydrophobicContact CB-CD1 4.12Å; M489-L493 PolarHBondContact O-N 3.1Å
490	V	95.4	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55	-49.9	-169	172.2	0	0	0	0	112.3	V485 P487 N492 L493 V494 L523 L526 T530	V485-V490 HydrophobicContact CG1-CG2 4.02Å; P487-V490 PolarHBondContact O-N 3.37Å; V490-N492 PolarHBondContact O-N 2.83Å; V490-L493 PolarHBondContact O-N 3.45Å; V490-V494 HydrophobicContact CG1-CG2 4.44Å; V490-V494 WeakPolarHBondContact O-CB 3.38Å; V490-V494 VanDerWaalsContact O-CG2 3.29Å; V490-V494 WeakPolarHBondContact O-CG2 3.49Å; V490-V494 PolarHBondContact O-N 3.36Å; V490-L523 HydrophobicContact CG1-CB 4.39Å; V490-L523 VanDerWaalsContact CG1-O 3.24Å; V490-L523 WeakPolarHBondContact CG1-O 3.33Å; V490-L523 WeakPolarHBondContact CG2-O 3.34Å; V490-L526 HydrophobicContact CG2-CB 3.95Å; V490-T530 HydrophobicContact CG1-CG2 4.31Å; V490-T530 WeakPolarHBondContact CG1-OG1 3.49Å
491	H	94.1	Very high	95.5	Very high	98 Å²	98	35.7 Å²	35.7	45%	0.454	18%	0.182	S	C	.	.	H	α-helix	trans	-59	-50.6	-179.3	-176.5	77	0	0	0	111.4	M489 L493 V494 E495 R533	M489-H491 PolarHBondContact O-N 3.37Å; H491-L493 PolarHBondContact O-N 3.24Å; H491-V494 PolarHBondContact O-N 3Å; H491-E495 WeakPolarHBondContact O-CG 3.12Å; H491-E495 PolarHBondContact O-N 2.76Å; H491-E495 VanDerWaalsContact O-N 3.09Å; H491-R533 PolarHBondContact ND1-NH1 3.14Å
492	N	96.3	Very high	95.4	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-62.1	-39.4	-179.1	-70.5	-25.7	0	0	0	113	L461 M489 V490 K496	L461-N492 HydrophobicContact CD1-CB 3.99Å; L461-N492 HydrophobicContact CD2-CB 4.28Å; M489-N492 PolarHBondContact O-N 3.26Å; V490-N492 PolarHBondContact O-N 2.83Å; N492-K496 VanDerWaalsContact O-CB 3.3Å; N492-K496 WeakPolarHBondContact O-CB 3.25Å; N492-K496 VanDerWaalsContact O-CG 3.27Å; N492-K496 WeakPolarHBondContact O-CG 3.35Å; N492-K496 PolarHBondContact O-N 2.94Å
493	L	97.8	Very high	95.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-40.8	177.9	-71.7	171.3	0	0	0	111.7	L461 L464 L465 V485 M489 V490 H491 L497 L523	L461-L493 HydrophobicContact CB-CD2 4.48Å; L461-L493 HydrophobicContact CD2-CD1 4.31Å; L461-L493 HydrophobicContact CD2-CD2 3.69Å; L461-L493 HydrophobicContact CD2-CG 3.65Å; L464-L493 HydrophobicContact CB-CD2 4.24Å; L464-L493 HydrophobicContact CD1-CD1 4.46Å; L465-L493 HydrophobicContact CB-CD2 4.36Å; V485-L493 HydrophobicContact CB-CD1 4.35Å; V485-L493 HydrophobicContact CG1-CD1 3.7Å; V485-L493 HydrophobicContact CG2-CD1 3.77Å; M489-L493 HydrophobicContact CB-CD1 4.12Å; M489-L493 PolarHBondContact O-N 3.1Å; V490-L493 PolarHBondContact O-N 3.45Å; H491-L493 PolarHBondContact O-N 3.24Å; L493-L497 WeakPolarHBondContact O-CB 3.35Å; L493-L497 PolarHBondContact O-N 3Å; L493-L523 HydrophobicContact CB-CD1 4.12Å; L493-L523 HydrophobicContact CD1-CD2 4.21Å
494	V	96.7	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-44.8	178.6	166.2	0	0	0	0	111.5	V490 H491 H498 K520 L523 F537	V490-V494 HydrophobicContact CG1-CG2 4.44Å; V490-V494 WeakPolarHBondContact O-CB 3.38Å; V490-V494 VanDerWaalsContact O-CG2 3.29Å; V490-V494 WeakPolarHBondContact O-CG2 3.49Å; V490-V494 PolarHBondContact O-N 3.36Å; H491-V494 PolarHBondContact O-N 3Å; V494-H498 PolarHBondContact O-N 2.85Å; V494-K520 HydrophobicContact CG1-CB 4.45Å; V494-K520 HydrophobicContact CG1-CD 4.01Å; V494-K520 HydrophobicContact CG1-CG 4.02Å; V494-K520 HydrophobicContact CG2-CG 4.5Å; V494-K520 WeakPolarHBondContact O-CE 3.35Å; V494-L523 HydrophobicContact CG2-CB 3.82Å; V494-L523 HydrophobicContact CG2-CD1 3.92Å; V494-F537 HydrophobicContact CG1-CZ 4.42Å
495	E	95.7	Very high	95.6	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-71.5	-50.1	179.9	-61.1	-50.1	135.6	0	0	111.4	H491 L497 H498 E499 R533	H491-E495 WeakPolarHBondContact O-CG 3.12Å; H491-E495 PolarHBondContact O-N 2.76Å; H491-E495 VanDerWaalsContact O-N 3.09Å; E495-L497 PolarHBondContact O-N 3.43Å; E495-H498 WeakPolarHBondContact O-CA 3.33Å; E495-H498 WeakPolarHBondContact O-CB 3.19Å; E495-H498 PolarHBondContact O-N 3.12Å; E495-E499 PolarHBondContact O-N 3.5Å; E495-R533 IonicContact OE1-CZ 2.75Å; E495-R533 IonicContact OE1-NH1 3.74Å; E495-R533 IonicContact OE1-NH2 3.1Å; E495-R533 PolarHBondContact OE1-NH2 3.49Å
496	K	96.8	Very high	95.5	Very high	68 Å²	68	57.2 Å²	57.2	30%	0.296	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-41.3	179.3	-71.1	-179	179.9	-175.5	0	112.9	L465 N492 H498 E499 E500	L465-K496 HydrophobicContact CD1-CB 4.47Å; L465-K496 HydrophobicContact CD2-CB 3.96Å; N492-K496 VanDerWaalsContact O-CB 3.3Å; N492-K496 WeakPolarHBondContact O-CB 3.25Å; N492-K496 VanDerWaalsContact O-CG 3.27Å; N492-K496 WeakPolarHBondContact O-CG 3.35Å; N492-K496 PolarHBondContact O-N 2.94Å; K496-H498 PolarHBondContact O-N 2.94Å; K496-E499 PolarHBondContact O-N 3.4Å; K496-E500 WeakPolarHBondContact O-CG 3.45Å; K496-E500 PolarHBondContact O-N 3.34Å
497	L	97.1	Very high	95.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-34	175	-176.4	67.1	0	0	0	111.7	L465 E469 M472 L493 E495 Y501 I516 V519	L465-L497 HydrophobicContact CD1-CB 3.72Å; L465-L497 HydrophobicContact CD1-CD1 3.85Å; L465-L497 HydrophobicContact CD1-CG 4.4Å; E469-L497 HydrophobicContact CG-CD1 4.08Å; M472-L497 HydrophobicContact CE-CD1 4.19Å; L493-L497 WeakPolarHBondContact O-CB 3.35Å; L493-L497 PolarHBondContact O-N 3Å; E495-L497 PolarHBondContact O-N 3.43Å; L497-Y501 WeakPolarHBondContact O-CB 3.48Å; L497-Y501 PolarHBondContact O-N 3.22Å; L497-Y501 VanDerWaalsContact O-N 3.12Å; L497-I516 HydrophobicContact CD2-CG1 4.46Å; L497-I516 HydrophobicContact CG-CD1 4.26Å; L497-I516 HydrophobicContact CG-CG1 4.46Å; L497-I516 WeakPolarHBondContact O-CD1 3.4Å; L497-V519 HydrophobicContact CD2-CB 4.08Å; L497-V519 HydrophobicContact CD2-CG1 3.49Å; L497-V519 VanDerWaalsContact CD2-CG1 3.49Å
498	H	96.3	Very high	95.7	Very high	62 Å²	62	57.2 Å²	57.2	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-47.1	174.4	-161.6	45.4	0	0	0	112.8	V494 E495 K496 Y501 M502 K520	V494-H498 PolarHBondContact O-N 2.85Å; E495-H498 WeakPolarHBondContact O-CA 3.33Å; E495-H498 WeakPolarHBondContact O-CB 3.19Å; E495-H498 PolarHBondContact O-N 3.12Å; K496-H498 PolarHBondContact O-N 2.94Å; H498-Y501 WeakPolarHBondContact O-CB 3.35Å; H498-Y501 PolarHBondContact O-N 2.88Å; H498-M502 WeakPolarHBondContact CE1-CE 3.28Å; H498-M502 WeakPolarHBondContact O-CG 3.29Å; H498-M502 PolarHBondContact O-N 3.18Å; H498-K520 PolarHBondContact ND1-NZ 2.87Å
499	E	96.5	Very high	95.9	Very high	93 Å²	93	54.9 Å²	54.9	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-47.6	178.6	-68.5	179.4	-157.8	0	0	111.4	E495 K496 Y501 M502 R503	E495-E499 PolarHBondContact O-N 3.5Å; K496-E499 PolarHBondContact O-N 3.4Å; E499-Y501 VanDerWaalsContact C-N 3.31Å; E499-Y501 PolarHBondContact O-N 3.02Å; E499-M502 PolarHBondContact O-N 3.33Å; E499-M502 VanDerWaalsContact O-N 3.13Å; E499-R503 WeakPolarHBondContact O-CG 3.42Å; E499-R503 PolarHBondContact O-N 3.14Å; E499-R503 IonicContact OE2-CZ 2.7Å; E499-R503 IonicContact OE2-NH1 3.14Å; E499-R503 IonicContact OE2-NH2 3.26Å; E499-R503 PolarHBondContact OE2-NH2 3.06Å
500	E	95.9	Very high	95.8	Very high	27 Å²	27	61.9 Å²	61.9	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-40.8	178.1	-68.8	-57.2	138.9	0	0	111.8	T144 F146 K149 L465 K496 R503 Q504	T144-E500 WeakPolarHBondContact CA-OE2 3.37Å; F146-E500 HydrophobicContact CE1-CB 4.18Å; F146-E500 HydrophobicContact CZ-CB 4.28Å; K149-E500 IonicContact NZ-OE2 3.96Å; L465-E500 HydrophobicContact CD2-CG 4.2Å; K496-E500 WeakPolarHBondContact O-CG 3.45Å; K496-E500 PolarHBondContact O-N 3.34Å; E500-R503 PolarHBondContact O-N 3.28Å; E500-R503 IonicContact OE1-CZ 2.67Å; E500-R503 IonicContact OE1-NH1 3.47Å; E500-R503 PolarHBondContact OE1-NH1 2.62Å; E500-Q504 PolarHBondContact O-NE2 2.93Å
501	Y	97	Very high	95.7	Very high	19 Å²	19	66.5 Å²	66.5	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-43.7	173	165.1	-89.2	0	0	0	112.5	L497 H498 E499 R503 Q504 Q509 L512 A513 I516	L497-Y501 WeakPolarHBondContact O-CB 3.48Å; L497-Y501 PolarHBondContact O-N 3.22Å; L497-Y501 VanDerWaalsContact O-N 3.12Å; H498-Y501 WeakPolarHBondContact O-CB 3.35Å; H498-Y501 PolarHBondContact O-N 2.88Å; E499-Y501 VanDerWaalsContact C-N 3.31Å; E499-Y501 PolarHBondContact O-N 3.02Å; Y501-R503 PolarHBondContact O-N 3.07Å; Y501-Q504 WeakPolarHBondContact O-CB 3.2Å; Y501-Q504 WeakPolarHBondContact O-CG 3.39Å; Y501-Q504 PolarHBondContact O-N 3.43Å; Y501-Q509 HydrophobicContact CE1-CB 4.34Å; Y501-Q509 HydrophobicContact CE1-CG 4.18Å; Y501-Q509 HydrophobicContact CE2-CB 4.03Å; Y501-Q509 HydrophobicContact CE2-CG 4.21Å; Y501-Q509 WeakPolarHBondContact CE2-O 3.24Å; Y501-Q509 WeakPolarHBondContact O-CG 3.48Å; Y501-Q509 PolarHBondContact O-NE2 3.02Å; Y501-Q509 PolarHBondContact OH-O 3.34Å; Y501-L512 HydrophobicContact CD2-CB 4.19Å; Y501-L512 HydrophobicContact CE2-CB 3.92Å; Y501-A513 WeakPolarHBondContact OH-CA 3.34Å; Y501-I516 HydrophobicContact CD1-CD1 3.93Å; Y501-I516 HydrophobicContact CD1-CG2 4.48Å; Y501-I516 HydrophobicContact CD2-CB 4.29Å; Y501-I516 HydrophobicContact CD2-CD1 4.09Å; Y501-I516 HydrophobicContact CD2-CG2 4.02Å; Y501-I516 HydrophobicContact CE1-CG2 4.41Å; Y501-I516 HydrophobicContact CE2-CG2 3.89Å; Y501-I516 HydrophobicContact CG-CD1 3.52Å; Y501-I516 HydrophobicContact CG-CG2 4.31Å
502	M	95.9	Very high	95.8	Very high	92 Å²	92	62 Å²	62	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-68.4	-20	-179.7	-72.6	-58.4	170.8	0	0	113.3	H498 E499 Q504 Q509	H498-M502 WeakPolarHBondContact CE1-CE 3.28Å; H498-M502 WeakPolarHBondContact O-CG 3.29Å; H498-M502 PolarHBondContact O-N 3.18Å; E499-M502 PolarHBondContact O-N 3.33Å; E499-M502 VanDerWaalsContact O-N 3.13Å; M502-Q504 VanDerWaalsContact C-N 3.3Å; M502-Q509 PolarHBondContact O-NE2 3.37Å
503	R	96.1	Very high	95.8	Very high	124 Å²	124	60.2 Å²	60.2	47%	0.468	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.1	172.4	-69.3	173.3	-174.6	124.6	13.7	113.4	E499 E500 Y501	E499-R503 WeakPolarHBondContact O-CG 3.42Å; E499-R503 PolarHBondContact O-N 3.14Å; E499-R503 IonicContact OE2-CZ 2.7Å; E499-R503 IonicContact OE2-NH1 3.14Å; E499-R503 IonicContact OE2-NH2 3.26Å; E499-R503 PolarHBondContact OE2-NH2 3.06Å; E500-R503 PolarHBondContact O-N 3.28Å; E500-R503 IonicContact OE1-CZ 2.67Å; E500-R503 IonicContact OE1-NH1 3.47Å; E500-R503 PolarHBondContact OE1-NH1 2.62Å; Y501-R503 PolarHBondContact O-N 3.07Å
504	Q	96.7	Very high	95.7	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.047	32%	0.322	C	S	.	.	S	Bend	trans	-74.2	160.5	178.8	-56.5	-43.3	-68.5	0	0	111.9	T144 F146 E500 Y501 M502 L508 Q509	T144-Q504 PolarHBondContact O-NE2 3.46Å; F146-Q504 HydrophobicContact CD2-CG 3.71Å; F146-Q504 HydrophobicContact CE2-CG 3.68Å; F146-Q504 HydrophobicContact CG-CG 4.19Å; F146-Q504 HydrophobicContact CZ-CG 4.16Å; E500-Q504 PolarHBondContact O-NE2 2.93Å; Y501-Q504 WeakPolarHBondContact O-CB 3.2Å; Y501-Q504 WeakPolarHBondContact O-CG 3.39Å; Y501-Q504 PolarHBondContact O-N 3.43Å; M502-Q504 VanDerWaalsContact C-N 3.3Å; Q504-L508 HydrophobicContact CB-CB 4.31Å; Q504-L508 HydrophobicContact CB-CD2 4.12Å; Q504-L508 HydrophobicContact CB-CG 4.37Å; Q504-L508 HydrophobicContact CG-CD2 4.01Å; Q504-Q509 HydrophobicContact CB-CG 4.08Å; Q504-Q509 PolarHBondContact O-NE2 3.45Å
505	N	95.6	Very high	95.6	Very high	98 Å²	98	67.6 Å²	67.6	52%	0.524	34%	0.338	S	S	.	.			trans	-63.8	156.6	171.1	67.6	52.4	0	0	0	112	A507 L508 Q509	N505-A507 VanDerWaalsContact C-N 3.28Å; N505-A507 PolarHBondContact O-N 3.07Å; N505-A507 PolarHBondContact OD1-N 3.23Å; N505-L508 PolarHBondContact O-N 2.92Å; N505-L508 VanDerWaalsContact O-N 3.16Å; N505-L508 WeakPolarHBondContact OD1-CB 3.43Å; N505-L508 PolarHBondContact OD1-N 3.13Å; N505-Q509 WeakPolarHBondContact O-CG 3.24Å; N505-Q509 PolarHBondContact O-N 3.03Å
506	Q	94.2	Very high	95.7	Very high	165 Å²	165	64.8 Å²	64.8	77%	0.771	33%	0.325	S	S	*	.	H	α-helix	trans	-59.2	-36.3	-174	-167.2	176.5	23	0	0	113.3	Q509 Q510	Q506-Q509 PolarHBondContact O-N 3.28Å; Q506-Q510 WeakPolarHBondContact O-CB 3.49Å; Q506-Q510 PolarHBondContact O-N 2.89Å
507	A	94.3	Very high	95.7	Very high	65 Å²	65	62.1 Å²	62.1	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-44.3	178.7	0	0	0	0	0	111.8	N505 Q510 V511	N505-A507 VanDerWaalsContact C-N 3.28Å; N505-A507 PolarHBondContact O-N 3.07Å; N505-A507 PolarHBondContact OD1-N 3.23Å; A507-Q510 PolarHBondContact O-N 2.85Å; A507-V511 WeakPolarHBondContact O-CG2 3.3Å; A507-V511 PolarHBondContact O-N 2.93Å
508	L	94.3	Very high	95.7	Very high	43 Å²	43	62.3 Å²	62.3	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-70.1	-39.4	177.7	-175	57.7	0	0	0	111.6	F146 Q504 N505 Q510 V511 L512	F146-L508 HydrophobicContact CB-CD2 4.06Å; F146-L508 HydrophobicContact CD2-CD2 3.97Å; F146-L508 HydrophobicContact CG-CD2 4.45Å; Q504-L508 HydrophobicContact CB-CB 4.31Å; Q504-L508 HydrophobicContact CB-CD2 4.12Å; Q504-L508 HydrophobicContact CB-CG 4.37Å; Q504-L508 HydrophobicContact CG-CD2 4.01Å; N505-L508 PolarHBondContact O-N 2.92Å; N505-L508 VanDerWaalsContact O-N 3.16Å; N505-L508 WeakPolarHBondContact OD1-CB 3.43Å; N505-L508 PolarHBondContact OD1-N 3.13Å; L508-Q510 VanDerWaalsContact C-N 3.31Å; L508-Q510 PolarHBondContact O-N 3.44Å; L508-V511 PolarHBondContact O-N 3.3Å; L508-L512 HydrophobicContact CD1-CD1 3.77Å; L508-L512 HydrophobicContact CD1-CG 3.98Å; L508-L512 HydrophobicContact CG-CD1 3.89Å; L508-L512 HydrophobicContact CG-CG 4.39Å; L508-L512 WeakPolarHBondContact O-CG 3.5Å; L508-L512 PolarHBondContact O-N 3.02Å
509	Q	96.1	Very high	95.8	Very high	41 Å²	41	59.3 Å²	59.3	19%	0.192	30%	0.302	C	S	.	.	H	α-helix	trans	-55	-49.1	172.3	-72.1	-175.1	14.6	0	0	110.8	Y501 M502 Q504 N505 Q506 V511 L512 A513	Y501-Q509 HydrophobicContact CE1-CB 4.34Å; Y501-Q509 HydrophobicContact CE1-CG 4.18Å; Y501-Q509 HydrophobicContact CE2-CB 4.03Å; Y501-Q509 HydrophobicContact CE2-CG 4.21Å; Y501-Q509 WeakPolarHBondContact CE2-O 3.24Å; Y501-Q509 WeakPolarHBondContact O-CG 3.48Å; Y501-Q509 PolarHBondContact O-NE2 3.02Å; Y501-Q509 PolarHBondContact OH-O 3.34Å; M502-Q509 PolarHBondContact O-NE2 3.37Å; Q504-Q509 HydrophobicContact CB-CG 4.08Å; Q504-Q509 PolarHBondContact O-NE2 3.45Å; N505-Q509 WeakPolarHBondContact O-CG 3.24Å; N505-Q509 PolarHBondContact O-N 3.03Å; Q506-Q509 PolarHBondContact O-N 3.28Å; Q509-V511 VanDerWaalsContact C-N 3.31Å; Q509-V511 PolarHBondContact O-N 2.91Å; Q509-L512 CarbonylContact O-C 3.55Å; Q509-L512 PolarHBondContact O-N 2.82Å; Q509-L512 VanDerWaalsContact O-N 3.09Å; Q509-A513 WeakPolarHBondContact O-CA 3.23Å; Q509-A513 WeakPolarHBondContact O-CB 3.29Å; Q509-A513 PolarHBondContact O-N 2.85Å
510	Q	92.9	Very high	95.8	Very high	160 Å²	160	55.5 Å²	55.5	75%	0.748	28%	0.284	S	S	*	.	H	α-helix	trans	-58.1	-41.2	178.9	-171	179.8	8.5	0	0	112.8	Q506 A507 L508 L512	Q506-Q510 WeakPolarHBondContact O-CB 3.49Å; Q506-Q510 PolarHBondContact O-N 2.89Å; A507-Q510 PolarHBondContact O-N 2.85Å; L508-Q510 VanDerWaalsContact C-N 3.31Å; L508-Q510 PolarHBondContact O-N 3.44Å; Q510-L512 VanDerWaalsContact C-N 3.35Å
511	V	94.3	Very high	95.7	Very high	97 Å²	97	54.2 Å²	54.2	59%	0.588	28%	0.278	S	S	*	.	H	α-helix	trans	-67.5	-34.7	178	172.5	0	0	0	0	112.2	A507 L508 Q509	A507-V511 WeakPolarHBondContact O-CG2 3.3Å; A507-V511 PolarHBondContact O-N 2.93Å; L508-V511 PolarHBondContact O-N 3.3Å; Q509-V511 VanDerWaalsContact C-N 3.31Å; Q509-V511 PolarHBondContact O-N 2.91Å
512	L	95.9	Very high	95.6	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-96.8	-6.3	-174.9	-60.4	-178.2	0	0	0	113.9	F146 M472 V473 Y501 L508 Q509 Q510 T514 R515 I516	F146-L512 HydrophobicContact CD2-CD1 4.01Å; F146-L512 HydrophobicContact CE2-CD1 3.98Å; M472-L512 HydrophobicContact CE-CD1 4.1Å; M472-L512 HydrophobicContact CG-CB 4.44Å; M472-L512 HydrophobicContact CG-CD1 4.32Å; M472-L512 HydrophobicContact CG-CD2 4.14Å; M472-L512 WeakPolarHBondContact O-CD2 3.23Å; V473-L512 HydrophobicContact CG2-CD1 4.22Å; Y501-L512 HydrophobicContact CD2-CB 4.19Å; Y501-L512 HydrophobicContact CE2-CB 3.92Å; L508-L512 HydrophobicContact CD1-CD1 3.77Å; L508-L512 HydrophobicContact CD1-CG 3.98Å; L508-L512 HydrophobicContact CG-CD1 3.89Å; L508-L512 HydrophobicContact CG-CG 4.39Å; L508-L512 WeakPolarHBondContact O-CG 3.5Å; L508-L512 PolarHBondContact O-N 3.02Å; Q509-L512 CarbonylContact O-C 3.55Å; Q509-L512 PolarHBondContact O-N 2.82Å; Q509-L512 VanDerWaalsContact O-N 3.09Å; Q510-L512 VanDerWaalsContact C-N 3.35Å; L512-T514 PolarHBondContact O-N 2.87Å; L512-R515 WeakPolarHBondContact O-CA 3.29Å; L512-R515 WeakPolarHBondContact O-CB 3.5Å; L512-R515 PolarHBondContact O-N 3.04Å; L512-I516 PolarHBondContact O-N 3.4Å
513	A	95	Very high	95.6	Very high	32 Å²	32	49.2 Å²	49.2	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-51.8	-45.5	-170.2	0	0	0	0	0	114.1	Y501 Q509 I516 V517	Y501-A513 WeakPolarHBondContact OH-CA 3.34Å; Q509-A513 WeakPolarHBondContact O-CA 3.23Å; Q509-A513 WeakPolarHBondContact O-CB 3.29Å; Q509-A513 PolarHBondContact O-N 2.85Å; A513-I516 WeakPolarHBondContact O-CG2 3.49Å; A513-V517 WeakPolarHBondContact O-CG2 3.33Å
514	T	95.6	Very high	95.4	Very high	68 Å²	68	43.3 Å²	43.3	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-76.7	-32.1	177.6	55.5	0	0	0	0	112.4	L512 V517 A518 L541 I544	L512-T514 PolarHBondContact O-N 2.87Å; T514-V517 PolarHBondContact O-N 2.86Å; T514-A518 WeakPolarHBondContact O-CB 3.5Å; T514-A518 PolarHBondContact O-N 2.82Å; T514-L541 WeakPolarHBondContact O-CD2 3.49Å; T514-I544 HydrophobicContact CG2-CG2 4.12Å
515	R	96.4	Very high	95	Very high	88 Å²	88	44.5 Å²	44.5	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-43.4	179.6	-64.1	-174.7	-176.5	177	0.4	111.6	M472 V473 L512 V517 A518 V519	M472-R515 HydrophobicContact CG-CB 3.96Å; M472-R515 WeakPolarHBondContact O-CD 3.23Å; M472-R515 PolarHBondContact O-NH1 3.5Å; V473-R515 PolarHBondContact O-NH1 3.25Å; L512-R515 WeakPolarHBondContact O-CA 3.29Å; L512-R515 WeakPolarHBondContact O-CB 3.5Å; L512-R515 PolarHBondContact O-N 3.04Å; R515-V517 VanDerWaalsContact C-N 3.32Å; R515-V517 PolarHBondContact O-N 2.64Å; R515-A518 WeakPolarHBondContact O-CB 3.08Å; R515-A518 PolarHBondContact O-N 2.81Å; R515-V519 WeakPolarHBondContact O-CG2 3.41Å; R515-V519 PolarHBondContact O-N 2.95Å
516	I	97.4	Very high	94.8	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-42.6	177.2	-178.8	161.8	0	0	0	111.5	M472 L497 Y501 L512 A513 A518 V519 K520	M472-I516 HydrophobicContact SD-CB 3.73Å; M472-I516 HydrophobicContact SD-CG1 4.39Å; L497-I516 HydrophobicContact CD2-CG1 4.46Å; L497-I516 HydrophobicContact CG-CD1 4.26Å; L497-I516 HydrophobicContact CG-CG1 4.46Å; L497-I516 WeakPolarHBondContact O-CD1 3.4Å; Y501-I516 HydrophobicContact CD1-CD1 3.93Å; Y501-I516 HydrophobicContact CD1-CG2 4.48Å; Y501-I516 HydrophobicContact CD2-CB 4.29Å; Y501-I516 HydrophobicContact CD2-CD1 4.09Å; Y501-I516 HydrophobicContact CD2-CG2 4.02Å; Y501-I516 HydrophobicContact CE1-CG2 4.41Å; Y501-I516 HydrophobicContact CE2-CG2 3.89Å; Y501-I516 HydrophobicContact CG-CD1 3.52Å; Y501-I516 HydrophobicContact CG-CG2 4.31Å; L512-I516 PolarHBondContact O-N 3.4Å; A513-I516 WeakPolarHBondContact O-CG2 3.49Å; I516-A518 VanDerWaalsContact C-N 3.3Å; I516-A518 PolarHBondContact O-N 3.42Å; I516-V519 PolarHBondContact O-N 3.01Å; I516-K520 HydrophobicContact CG1-CD 4.26Å; I516-K520 HydrophobicContact CG1-CG 4.28Å; I516-K520 WeakPolarHBondContact O-CB 3.42Å; I516-K520 WeakPolarHBondContact O-CG 3.4Å; I516-K520 PolarHBondContact O-N 2.93Å
517	V	96.8	Very high	94.5	Very high	12 Å²	12	33 Å²	33	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-40.9	177.6	-179	0	0	0	0	110.5	A513 T514 R515 K520 A521 F537 K540 L541	A513-V517 WeakPolarHBondContact O-CG2 3.33Å; T514-V517 PolarHBondContact O-N 2.86Å; R515-V517 VanDerWaalsContact C-N 3.32Å; R515-V517 PolarHBondContact O-N 2.64Å; V517-K520 PolarHBondContact O-N 2.82Å; V517-A521 WeakPolarHBondContact O-CB 3.31Å; V517-A521 PolarHBondContact O-N 3.06Å; V517-F537 HydrophobicContact CG1-CB 3.83Å; V517-F537 HydrophobicContact CG1-CD1 3.92Å; V517-F537 HydrophobicContact CG1-CG 4.26Å; V517-F537 WeakPolarHBondContact CG1-O 3.32Å; V517-K540 HydrophobicContact CG1-CB 4.36Å; V517-K540 HydrophobicContact CG1-CG 4.5Å; V517-L541 HydrophobicContact CB-CD2 3.92Å; V517-L541 HydrophobicContact CB-CG 4.22Å; V517-L541 HydrophobicContact CG1-CD1 4.29Å; V517-L541 HydrophobicContact CG1-CD2 3.94Å; V517-L541 HydrophobicContact CG1-CG 3.67Å
518	A	96.9	Very high	93.9	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-39.6	176.2	0	0	0	0	0	113.8	W478 T514 R515 I516 A521 S522 L541 C819	W478-A518 HydrophobicContact CH2-CB 4.08Å; W478-A518 HydrophobicContact CZ2-CB 4.29Å; T514-A518 WeakPolarHBondContact O-CB 3.5Å; T514-A518 PolarHBondContact O-N 2.82Å; R515-A518 WeakPolarHBondContact O-CB 3.08Å; R515-A518 PolarHBondContact O-N 2.81Å; I516-A518 VanDerWaalsContact C-N 3.3Å; I516-A518 PolarHBondContact O-N 3.42Å; A518-A521 PolarHBondContact O-N 2.95Å; A518-S522 PolarHBondContact O-N 3.39Å; A518-S522 PolarHBondContact O-OG 3.16Å; A518-L541 HydrophobicContact CB-CD1 4.35Å; A518-C819 WeakPolarHBondContact CB-O 3.4Å
519	V	97.6	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-47.2	175	175.1	0	0	0	0	110	L468 W478 L497 R515 I516 A521 S522 L523	L468-V519 HydrophobicContact CD2-CG1 4.06Å; W478-V519 HydrophobicContact CD2-CG2 3.89Å; W478-V519 HydrophobicContact CE3-CG2 3.83Å; W478-V519 HydrophobicContact CH2-CG2 3.71Å; W478-V519 HydrophobicContact CZ2-CB 4.47Å; W478-V519 HydrophobicContact CZ2-CG2 3.81Å; W478-V519 HydrophobicContact CZ3-CG2 3.75Å; L497-V519 HydrophobicContact CD2-CB 4.08Å; L497-V519 HydrophobicContact CD2-CG1 3.49Å; L497-V519 VanDerWaalsContact CD2-CG1 3.49Å; R515-V519 WeakPolarHBondContact O-CG2 3.41Å; R515-V519 PolarHBondContact O-N 2.95Å; I516-V519 PolarHBondContact O-N 3.01Å; V519-A521 VanDerWaalsContact C-N 3.31Å; V519-A521 PolarHBondContact O-N 3.2Å; V519-S522 WeakPolarHBondContact O-CB 3.24Å; V519-S522 PolarHBondContact O-N 2.97Å; V519-L523 HydrophobicContact CG1-CD1 4.1Å; V519-L523 HydrophobicContact CG1-CG 4.44Å; V519-L523 WeakPolarHBondContact O-CG 3.19Å; V519-L523 PolarHBondContact O-N 3.49Å
520	K	96.5	Very high	92.9	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-42.8	175.4	-71.1	-176.8	173	-164.6	0	112.1	V494 H498 I516 V517 S522 L523 C524 F537	V494-K520 HydrophobicContact CG1-CB 4.45Å; V494-K520 HydrophobicContact CG1-CD 4.01Å; V494-K520 HydrophobicContact CG1-CG 4.02Å; V494-K520 HydrophobicContact CG2-CG 4.5Å; V494-K520 WeakPolarHBondContact O-CE 3.35Å; H498-K520 PolarHBondContact ND1-NZ 2.87Å; I516-K520 HydrophobicContact CG1-CD 4.26Å; I516-K520 HydrophobicContact CG1-CG 4.28Å; I516-K520 WeakPolarHBondContact O-CB 3.42Å; I516-K520 WeakPolarHBondContact O-CG 3.4Å; I516-K520 PolarHBondContact O-N 2.93Å; V517-K520 PolarHBondContact O-N 2.82Å; K520-S522 VanDerWaalsContact C-N 3.26Å; K520-S522 PolarHBondContact O-N 3.44Å; K520-L523 PolarHBondContact O-N 2.79Å; K520-C524 WeakPolarHBondContact O-CB 3.13Å; K520-C524 PolarHBondContact O-N 2.94Å; K520-C524 PolarHBondContact O-SG 3.48Å; K520-F537 HydrophobicContact CB-CD1 4.43Å; K520-F537 HydrophobicContact CB-CD2 3.86Å; K520-F537 HydrophobicContact CB-CE1 4.23Å; K520-F537 HydrophobicContact CB-CE2 3.63Å; K520-F537 HydrophobicContact CB-CG 4.26Å; K520-F537 HydrophobicContact CB-CZ 3.84Å; K520-F537 HydrophobicContact CD-CE1 3.91Å; K520-F537 HydrophobicContact CD-CE2 4.41Å; K520-F537 HydrophobicContact CD-CZ 3.76Å; K520-F537 HydrophobicContact CG-CZ 4.41Å
521	A	94.2	Very high	92.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-36.8	174.8	0	0	0	0	0	112.5	V517 A518 V519 K525 A534 F537	V517-A521 WeakPolarHBondContact O-CB 3.31Å; V517-A521 PolarHBondContact O-N 3.06Å; A518-A521 PolarHBondContact O-N 2.95Å; V519-A521 VanDerWaalsContact C-N 3.31Å; V519-A521 PolarHBondContact O-N 3.2Å; A521-K525 WeakPolarHBondContact O-CG 3.22Å; A521-A534 WeakPolarHBondContact O-CB 3.48Å; A521-F537 HydrophobicContact CB-CB 3.59Å; A521-F537 HydrophobicContact CB-CD2 4.47Å; A521-F537 HydrophobicContact CB-CG 4.43Å
522	S	95	Very high	91.7	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.035	15%	0.146	C	C	.	.	H	α-helix	trans	-72.4	-42.2	178.3	-53.8	0	0	0	0	111.8	W478 A518 V519 K520 K525	W478-S522 PolarHBondContact NE1-OG 2.86Å; A518-S522 PolarHBondContact O-N 3.39Å; A518-S522 PolarHBondContact O-OG 3.16Å; V519-S522 WeakPolarHBondContact O-CB 3.24Å; V519-S522 PolarHBondContact O-N 2.97Å; K520-S522 VanDerWaalsContact C-N 3.26Å; K520-S522 PolarHBondContact O-N 3.44Å; S522-K525 PolarHBondContact O-N 2.84Å
523	L	95.7	Very high	91.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-47.1	175.9	-70.6	169	0	0	0	111.7	L468 L482 V485 V490 L493 V494 V519 K520 K525 L526	L468-L523 HydrophobicContact CD1-CD1 4.19Å; L468-L523 HydrophobicContact CD1-CD2 4.18Å; L482-L523 HydrophobicContact CD2-CD2 3.84Å; L482-L523 HydrophobicContact CD2-CG 4.48Å; V485-L523 HydrophobicContact CG1-CD2 4.09Å; V485-L523 HydrophobicContact CG2-CD2 4.03Å; V490-L523 HydrophobicContact CG1-CB 4.39Å; V490-L523 VanDerWaalsContact CG1-O 3.24Å; V490-L523 WeakPolarHBondContact CG1-O 3.33Å; V490-L523 WeakPolarHBondContact CG2-O 3.34Å; L493-L523 HydrophobicContact CB-CD1 4.12Å; L493-L523 HydrophobicContact CD1-CD2 4.21Å; V494-L523 HydrophobicContact CG2-CB 3.82Å; V494-L523 HydrophobicContact CG2-CD1 3.92Å; V519-L523 HydrophobicContact CG1-CD1 4.1Å; V519-L523 HydrophobicContact CG1-CG 4.44Å; V519-L523 WeakPolarHBondContact O-CG 3.19Å; V519-L523 PolarHBondContact O-N 3.49Å; K520-L523 PolarHBondContact O-N 2.79Å; L523-K525 PolarHBondContact O-N 3.31Å; L523-K525 VanDerWaalsContact O-N 3.14Å; L523-L526 WeakPolarHBondContact O-CB 3.39Å; L523-L526 PolarHBondContact O-N 3.03Å
524	C	92.4	Very high	91	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-23.1	-177.5	-77.6	0	0	0	0	114	K520 L526 T530 A531 R533 A534	K520-C524 WeakPolarHBondContact O-CB 3.13Å; K520-C524 PolarHBondContact O-N 2.94Å; K520-C524 PolarHBondContact O-SG 3.48Å; C524-L526 VanDerWaalsContact C-N 3.27Å; C524-L526 PolarHBondContact O-N 2.82Å; C524-T530 WeakPolarHBondContact CA-OG1 3.37Å; C524-T530 WeakPolarHBondContact CB-O 3.25Å; C524-T530 CarbonylContact O-C 3.56Å; C524-T530 VanDerWaalsContact O-C 3.3Å; C524-T530 PolarHBondContact O-OG1 3.01Å; C524-A531 PolarHBondContact O-N 3.02Å; C524-R533 HydrophobicContact CB-CB 4.35Å; C524-A534 HydrophobicContact CB-CB 3.84Å
525	K	88.9	Confident	90.5	Very high	35 Å²	35	22.1 Å²	22.1	15%	0.152	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.3	175.1	-69.3	169.1	-173.8	176.1	0	113.5	A521 S522 L523 S527 A534 H538 V730 R790	A521-K525 WeakPolarHBondContact O-CG 3.22Å; S522-K525 PolarHBondContact O-N 2.84Å; L523-K525 PolarHBondContact O-N 3.31Å; L523-K525 VanDerWaalsContact O-N 3.14Å; K525-S527 PolarHBondContact O-N 2.81Å; K525-A534 HydrophobicContact CG-CB 3.62Å; K525-H538 PolarHBondContact NZ-CE1 3.06Å; K525-V730 HydrophobicContact CB-CG2 4.32Å; K525-R790 PolarHBondContact NZ-O 3.3Å
526	L	90.5	Very high	90.2	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.1	-176.2	-55	-179.1	0	0	0	113.2	L482 V485 V490 L523 C524 I729	L482-L526 HydrophobicContact CB-CD1 4.13Å; L482-L526 HydrophobicContact CD2-CD1 4.11Å; V485-L526 HydrophobicContact CB-CD1 3.63Å; V485-L526 HydrophobicContact CG1-CD1 3.67Å; V485-L526 HydrophobicContact CG2-CD1 4.46Å; V490-L526 HydrophobicContact CG2-CB 3.95Å; L523-L526 WeakPolarHBondContact O-CB 3.39Å; L523-L526 PolarHBondContact O-N 3.03Å; C524-L526 VanDerWaalsContact C-N 3.27Å; C524-L526 PolarHBondContact O-N 2.82Å; L526-I729 HydrophobicContact CD2-CG1 3.92Å; L526-I729 HydrophobicContact CD2-CG2 4.13Å
527	S	87.8	Confident	89.9	Confident	16 Å²	16	19.3 Å²	19.3	11%	0.112	12%	0.118	C	C	.	.			trans	-132.6	131.1	177.9	177.9	0	0	0	0	110.7	K525 A529 T530 A531	K525-S527 PolarHBondContact O-N 2.81Å; S527-A529 PolarHBondContact O-N 2.68Å; S527-A529 PolarHBondContact OG-N 3.14Å; S527-T530 WeakPolarHBondContact CB-OG1 3.37Å; S527-T530 CarbonylContact O-C 3.56Å; S527-T530 PolarHBondContact O-N 3.37Å; S527-T530 PolarHBondContact O-OG1 2.79Å; S527-A531 PolarHBondContact O-N 3.1Å
528	T	82.4	Confident	89.7	Confident	102 Å²	102	19.5 Å²	19.5	63%	0.626	12%	0.118	S	C	*	.	G	3₁₀ helix	trans	-59.8	-34.6	177.1	51.5	0	0	0	0	111.9	T530 A531 L757	T528-T530 PolarHBondContact O-N 3.41Å; T528-A531 PolarHBondContact O-N 3.26Å; T528-L757 HydrophobicContact CG2-CD1 4.17Å
529	A	83.6	Confident	89.5	Confident	72 Å²	72	19.4 Å²	19.4	60%	0.595	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-64.3	-22.8	177.3	0	0	0	0	0	113.5	S527	S527-A529 PolarHBondContact O-N 2.68Å; S527-A529 PolarHBondContact OG-N 3.14Å
530	T	84.9	Confident	89.4	Confident	12 Å²	12	21.4 Å²	21.4	7%	0.074	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-115.9	2.7	-179.5	58.1	0	0	0	0	113.4	V490 C524 S527 T528 A532 R533 A534	V490-T530 HydrophobicContact CG1-CG2 4.31Å; V490-T530 WeakPolarHBondContact CG1-OG1 3.49Å; C524-T530 WeakPolarHBondContact CA-OG1 3.37Å; C524-T530 WeakPolarHBondContact CB-O 3.25Å; C524-T530 CarbonylContact O-C 3.56Å; C524-T530 VanDerWaalsContact O-C 3.3Å; C524-T530 PolarHBondContact O-OG1 3.01Å; S527-T530 WeakPolarHBondContact CB-OG1 3.37Å; S527-T530 CarbonylContact O-C 3.56Å; S527-T530 PolarHBondContact O-N 3.37Å; S527-T530 PolarHBondContact O-OG1 2.79Å; T528-T530 PolarHBondContact O-N 3.41Å; T530-A532 VanDerWaalsContact C-N 3.27Å; T530-A532 PolarHBondContact O-N 3.35Å; T530-R533 WeakPolarHBondContact O-CA 3.49Å; T530-R533 WeakPolarHBondContact O-CB 3.44Å; T530-R533 PolarHBondContact O-N 3.01Å; T530-A534 PolarHBondContact O-N 3.44Å
531	A	81.3	Confident	89.3	Confident	22 Å²	22	21 Å²	21	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-39.4	-173.8	0	0	0	0	0	112.4	C524 S527 T528 R533 A534 F760	C524-A531 PolarHBondContact O-N 3.02Å; S527-A531 PolarHBondContact O-N 3.1Å; T528-A531 PolarHBondContact O-N 3.26Å; A531-R533 PolarHBondContact O-N 3.36Å; A531-A534 VanDerWaalsContact O-CB 3.24Å; A531-A534 WeakPolarHBondContact O-CB 3.3Å; A531-A534 PolarHBondContact O-N 3.17Å; A531-A534 VanDerWaalsContact O-N 3.1Å; A531-F760 HydrophobicContact CB-CE2 4.34Å
532	A	81.2	Confident	89.4	Confident	6 Å²	6	21.3 Å²	21.3	5%	0.05	13%	0.125	C	C	.	.	H	α-helix	trans	-64.7	-34.1	174.3	0	0	0	0	0	113.5	T530 A534 C535 D536 V629 F760	T530-A532 VanDerWaalsContact C-N 3.27Å; T530-A532 PolarHBondContact O-N 3.35Å; A532-A534 PolarHBondContact O-N 3.22Å; A532-C535 VanDerWaalsContact O-CB 3.27Å; A532-C535 WeakPolarHBondContact O-CB 3.43Å; A532-C535 PolarHBondContact O-N 3.33Å; A532-D536 PolarHBondContact O-N 2.81Å; A532-V629 HydrophobicContact CB-CB 4.04Å; A532-V629 HydrophobicContact CB-CG1 3.63Å; A532-V629 WeakPolarHBondContact CB-O 3.46Å; A532-F760 HydrophobicContact CB-CZ 4.41Å
533	R	86.7	Confident	89.5	Confident	53 Å²	53	21 Å²	21	20%	0.2	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-27.8	172.6	-65	177.9	66.7	-177.2	2.2	112.1	H491 E495 C524 T530 A531 C535 D536 F537	H491-R533 PolarHBondContact ND1-NH1 3.14Å; E495-R533 IonicContact OE1-CZ 2.75Å; E495-R533 IonicContact OE1-NH1 3.74Å; E495-R533 IonicContact OE1-NH2 3.1Å; E495-R533 PolarHBondContact OE1-NH2 3.49Å; C524-R533 HydrophobicContact CB-CB 4.35Å; T530-R533 WeakPolarHBondContact O-CA 3.49Å; T530-R533 WeakPolarHBondContact O-CB 3.44Å; T530-R533 PolarHBondContact O-N 3.01Å; A531-R533 PolarHBondContact O-N 3.36Å; R533-C535 VanDerWaalsContact C-N 3.27Å; R533-C535 PolarHBondContact O-N 2.67Å; R533-D536 WeakPolarHBondContact O-CB 3.35Å; R533-D536 PolarHBondContact O-N 2.86Å; R533-F537 HydrophobicContact CB-CE2 4.41Å; R533-F537 WeakPolarHBondContact O-CD2 3.34Å; R533-F537 PolarHBondContact O-N 2.9Å
534	A	88.3	Confident	89.5	Confident	3 Å²	3	23 Å²	23	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-35.7	174.9	0	0	0	0	0	111.7	A521 C524 K525 T530 A531 A532 F537 H538	A521-A534 WeakPolarHBondContact O-CB 3.48Å; C524-A534 HydrophobicContact CB-CB 3.84Å; K525-A534 HydrophobicContact CG-CB 3.62Å; T530-A534 PolarHBondContact O-N 3.44Å; A531-A534 VanDerWaalsContact O-CB 3.24Å; A531-A534 WeakPolarHBondContact O-CB 3.3Å; A531-A534 PolarHBondContact O-N 3.17Å; A531-A534 VanDerWaalsContact O-N 3.1Å; A532-A534 PolarHBondContact O-N 3.22Å; A534-F537 PolarHBondContact O-N 3.27Å; A534-H538 PolarHBondContact O-N 3.16Å; A534-H538 VanDerWaalsContact O-N 3.15Å; A534-H538 PolarHBondContact O-ND1 3.25Å
535	C	86.3	Confident	89.7	Confident	11 Å²	11	23.2 Å²	23.2	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-41	173.7	-71.4	0	0	0	0	111.8	A532 R533 F537 H538 A539 P631 L722 F760	A532-C535 VanDerWaalsContact O-CB 3.27Å; A532-C535 WeakPolarHBondContact O-CB 3.43Å; A532-C535 PolarHBondContact O-N 3.33Å; R533-C535 VanDerWaalsContact C-N 3.27Å; R533-C535 PolarHBondContact O-N 2.67Å; C535-F537 VanDerWaalsContact C-N 3.33Å; C535-F537 PolarHBondContact O-N 3.29Å; C535-H538 WeakPolarHBondContact O-CB 3.26Å; C535-H538 PolarHBondContact O-N 3.38Å; C535-A539 PolarHBondContact O-N 3.35Å; C535-P631 HydrophobicContact CB-CB 4.04Å; C535-P631 HydrophobicContact CB-CG 4.2Å; C535-L722 HydrophobicContact CB-CD1 3.55Å; C535-L722 HydrophobicContact CB-CD2 4.43Å; C535-L722 HydrophobicContact CB-CG 4.48Å; C535-F760 WeakPolarHBondContact SG-CE1 3.36Å
536	D	89.4	Confident	90	Very high	9 Å²	9	21.5 Å²	21.5	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-58.1	-46.8	174.4	-60	-9	0	0	0	110.6	A532 R533 H538 A539 K540 G632 G634 F635	A532-D536 PolarHBondContact O-N 2.81Å; R533-D536 WeakPolarHBondContact O-CB 3.35Å; R533-D536 PolarHBondContact O-N 2.86Å; D536-H538 VanDerWaalsContact C-N 3.26Å; D536-H538 PolarHBondContact O-N 2.82Å; D536-A539 PolarHBondContact O-N 3.3Å; D536-K540 WeakPolarHBondContact O-CB 3.37Å; D536-K540 PolarHBondContact O-N 3.38Å; D536-G632 WeakPolarHBondContact OD1-CA 3.47Å; D536-G632 PolarHBondContact OD1-N 3.28Å; D536-G634 WeakPolarHBondContact OD2-CA 3.11Å; D536-G634 PolarHBondContact OD2-N 3.08Å; D536-F635 HydrophobicContact CB-CD2 3.9Å; D536-F635 HydrophobicContact CB-CE2 4.11Å; D536-F635 WeakPolarHBondContact O-CE2 3.33Å
537	F	92.6	Very high	90.3	Very high	25 Å²	25	21.5 Å²	21.5	11%	0.11	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-31.1	176.8	-67.1	-51.4	0	0	0	113.2	V494 V517 K520 A521 R533 A534 C535 K540 L541	V494-F537 HydrophobicContact CG1-CZ 4.42Å; V517-F537 HydrophobicContact CG1-CB 3.83Å; V517-F537 HydrophobicContact CG1-CD1 3.92Å; V517-F537 HydrophobicContact CG1-CG 4.26Å; V517-F537 WeakPolarHBondContact CG1-O 3.32Å; K520-F537 HydrophobicContact CB-CD1 4.43Å; K520-F537 HydrophobicContact CB-CD2 3.86Å; K520-F537 HydrophobicContact CB-CE1 4.23Å; K520-F537 HydrophobicContact CB-CE2 3.63Å; K520-F537 HydrophobicContact CB-CG 4.26Å; K520-F537 HydrophobicContact CB-CZ 3.84Å; K520-F537 HydrophobicContact CD-CE1 3.91Å; K520-F537 HydrophobicContact CD-CE2 4.41Å; K520-F537 HydrophobicContact CD-CZ 3.76Å; K520-F537 HydrophobicContact CG-CZ 4.41Å; A521-F537 HydrophobicContact CB-CB 3.59Å; A521-F537 HydrophobicContact CB-CD2 4.47Å; A521-F537 HydrophobicContact CB-CG 4.43Å; R533-F537 HydrophobicContact CB-CE2 4.41Å; R533-F537 WeakPolarHBondContact O-CD2 3.34Å; R533-F537 PolarHBondContact O-N 2.9Å; A534-F537 PolarHBondContact O-N 3.27Å; C535-F537 VanDerWaalsContact C-N 3.33Å; C535-F537 PolarHBondContact O-N 3.29Å; F537-K540 PolarHBondContact O-N 3.46Å; F537-L541 VanDerWaalsContact O-CG 3.32Å; F537-L541 WeakPolarHBondContact O-CG 3.5Å; F537-L541 PolarHBondContact O-N 3.5Å
538	H	91.8	Very high	90.6	Very high	16 Å²	16	23.6 Å²	23.6	7%	0.074	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-46.4	173	-78.4	79.3	0	0	0	112.5	K525 A534 C535 D536 K540 L541 L542 P723 C791	K525-H538 PolarHBondContact NZ-CE1 3.06Å; A534-H538 PolarHBondContact O-N 3.16Å; A534-H538 VanDerWaalsContact O-N 3.15Å; A534-H538 PolarHBondContact O-ND1 3.25Å; C535-H538 WeakPolarHBondContact O-CB 3.26Å; C535-H538 PolarHBondContact O-N 3.38Å; D536-H538 VanDerWaalsContact C-N 3.26Å; D536-H538 PolarHBondContact O-N 2.82Å; H538-K540 PolarHBondContact O-N 3.37Å; H538-L541 WeakPolarHBondContact O-CB 3.43Å; H538-L541 PolarHBondContact O-N 2.54Å; H538-L542 PolarHBondContact O-N 2.65Å; H538-P723 HydrophobicContact CB-CG 4.17Å; H538-C791 WeakPolarHBondContact NE2-CB 3.36Å
539	A	92.4	Very high	91.2	Very high	1 Å²	1	19 Å²	19	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-34.7	173.5	0	0	0	0	0	111.1	C535 D536 L542 L543 W610 F614 F635 W721 L722	C535-A539 PolarHBondContact O-N 3.35Å; D536-A539 PolarHBondContact O-N 3.3Å; A539-L542 PolarHBondContact O-N 3.27Å; A539-L543 WeakPolarHBondContact O-CB 3.5Å; A539-L543 PolarHBondContact O-N 3.12Å; A539-W610 HydrophobicContact CB-CZ2 4.36Å; A539-F614 HydrophobicContact CB-CE1 4.42Å; A539-F614 HydrophobicContact CB-CE2 4.14Å; A539-F614 HydrophobicContact CB-CZ 3.83Å; A539-F635 HydrophobicContact CB-CE2 3.69Å; A539-F635 HydrophobicContact CB-CZ 3.93Å; A539-W721 HydrophobicContact CB-CH2 3.88Å; A539-W721 HydrophobicContact CB-CZ3 4.32Å; A539-L722 HydrophobicContact CB-CD2 4.25Å
540	K	94.7	Very high	91.7	Very high	43 Å²	43	15.6 Å²	15.6	19%	0.187	9%	0.087	C	C	.	.	H	α-helix	trans	-67.2	-41.8	176.6	-172.9	168.6	-175.9	166.6	0	111.5	V517 D536 F537 H538 L542 L543 I544 F635 D638 S641	V517-K540 HydrophobicContact CG1-CB 4.36Å; V517-K540 HydrophobicContact CG1-CG 4.5Å; D536-K540 WeakPolarHBondContact O-CB 3.37Å; D536-K540 PolarHBondContact O-N 3.38Å; F537-K540 PolarHBondContact O-N 3.46Å; H538-K540 PolarHBondContact O-N 3.37Å; K540-L542 VanDerWaalsContact C-N 3.32Å; K540-L542 PolarHBondContact O-N 3.12Å; K540-L543 PolarHBondContact O-N 3.37Å; K540-I544 HydrophobicContact CG-CD1 4Å; K540-I544 WeakPolarHBondContact O-CB 3.31Å; K540-I544 WeakPolarHBondContact O-CD1 3.37Å; K540-I544 WeakPolarHBondContact O-CG1 3.14Å; K540-I544 PolarHBondContact O-N 2.86Å; K540-F635 VanDerWaalsContact CA-CZ 3.48Å; K540-F635 HydrophobicContact CB-CE1 4.41Å; K540-F635 HydrophobicContact CB-CE2 4.16Å; K540-F635 HydrophobicContact CB-CZ 3.67Å; K540-F635 HydrophobicContact CG-CZ 4.46Å; K540-F635 VanDerWaalsContact N-CZ 3.31Å; K540-D638 WeakPolarHBondContact CE-OD2 3.43Å; K540-D638 IonicContact NZ-OD1 2.7Å; K540-D638 PolarHBondContact NZ-OD1 3Å; K540-D638 IonicContact NZ-OD2 3.3Å; K540-D638 PolarHBondContact NZ-OD2 3.23Å; K540-S641 WeakPolarHBondContact CD-OG 3.42Å; K540-S641 WeakPolarHBondContact CE-OG 3.09Å; K540-S641 PolarHBondContact NZ-OG 2.78Å
541	L	95.8	Very high	92.1	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-42.8	172.8	-72.7	165.5	0	0	0	111.9	T514 V517 A518 F537 H538 A545 L818 C819	T514-L541 WeakPolarHBondContact O-CD2 3.49Å; V517-L541 HydrophobicContact CB-CD2 3.92Å; V517-L541 HydrophobicContact CB-CG 4.22Å; V517-L541 HydrophobicContact CG1-CD1 4.29Å; V517-L541 HydrophobicContact CG1-CD2 3.94Å; V517-L541 HydrophobicContact CG1-CG 3.67Å; A518-L541 HydrophobicContact CB-CD1 4.35Å; F537-L541 VanDerWaalsContact O-CG 3.32Å; F537-L541 WeakPolarHBondContact O-CG 3.5Å; F537-L541 PolarHBondContact O-N 3.5Å; H538-L541 WeakPolarHBondContact O-CB 3.43Å; H538-L541 PolarHBondContact O-N 2.54Å; L541-A545 WeakPolarHBondContact O-CB 3.44Å; L541-A545 PolarHBondContact O-N 3.27Å; L541-L818 HydrophobicContact CB-CB 4.22Å; L541-C819 HydrophobicContact CD1-CB 4.3Å
542	L	95.6	Very high	92.5	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-44.2	177.3	-178.7	55.3	0	0	0	111.6	H538 A539 K540 A545 I546 W610 W721 W809 L818	H538-L542 PolarHBondContact O-N 2.65Å; A539-L542 PolarHBondContact O-N 3.27Å; K540-L542 VanDerWaalsContact C-N 3.32Å; K540-L542 PolarHBondContact O-N 3.12Å; L542-A545 WeakPolarHBondContact O-CB 3.31Å; L542-A545 PolarHBondContact O-N 3.39Å; L542-I546 HydrophobicContact CD1-CD1 3.9Å; L542-I546 HydrophobicContact CD1-CG1 4.11Å; L542-I546 HydrophobicContact CG-CD1 3.86Å; L542-I546 HydrophobicContact CG-CG1 4.47Å; L542-I546 VanDerWaalsContact O-CG1 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.46Å; L542-I546 PolarHBondContact O-N 2.9Å; L542-W610 HydrophobicContact CB-CH2 4.23Å; L542-W610 HydrophobicContact CB-CZ2 4.08Å; L542-W610 HydrophobicContact CD2-CD2 4.06Å; L542-W610 HydrophobicContact CD2-CH2 4.25Å; L542-W610 HydrophobicContact CD2-CZ2 3.46Å; L542-W610 VanDerWaalsContact CD2-CZ2 3.46Å; L542-W610 HydrophobicContact CG-CD2 4.42Å; L542-W610 HydrophobicContact CG-CH2 4.06Å; L542-W610 HydrophobicContact CG-CZ2 3.78Å; L542-W610 HydrophobicContact CG-CZ3 4.48Å; L542-W721 HydrophobicContact CD2-CE3 4.42Å; L542-W721 HydrophobicContact CD2-CZ3 3.99Å; L542-W809 HydrophobicContact CD1-CH2 4.09Å; L542-W809 HydrophobicContact CD1-CZ2 4.12Å; L542-L818 HydrophobicContact CB-CD1 4.08Å; L542-L818 HydrophobicContact CD1-CD1 3.93Å
543	L	96.3	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-46.5	175.5	177.6	61	0	0	0	112	A539 K540 A545 I546 S547 W610 F635 M644 L645 M648	A539-L543 WeakPolarHBondContact O-CB 3.5Å; A539-L543 PolarHBondContact O-N 3.12Å; K540-L543 PolarHBondContact O-N 3.37Å; L543-A545 VanDerWaalsContact C-N 3.27Å; L543-A545 PolarHBondContact O-N 3.2Å; L543-I546 PolarHBondContact O-N 3.1Å; L543-S547 VanDerWaalsContact O-CB 3.25Å; L543-S547 WeakPolarHBondContact O-CB 3.47Å; L543-S547 PolarHBondContact O-N 3.1Å; L543-W610 HydrophobicContact CB-CH2 4Å; L543-W610 HydrophobicContact CB-CZ3 4.13Å; L543-W610 HydrophobicContact CD1-CZ3 4.21Å; L543-F635 HydrophobicContact CD2-CE1 3.99Å; L543-M644 HydrophobicContact CD1-CG 4.43Å; L543-M644 HydrophobicContact CD1-SD 4.5Å; L543-M644 HydrophobicContact CD2-CB 4.27Å; L543-M644 HydrophobicContact CD2-CG 4.37Å; L543-M644 HydrophobicContact CD2-SD 4.23Å; L543-M644 HydrophobicContact CG-CG 4.19Å; L543-M644 HydrophobicContact CG-SD 3.79Å; L543-L645 HydrophobicContact CD1-CD2 3.57Å; L543-L645 HydrophobicContact CD1-CG 4.28Å; L543-L645 HydrophobicContact CD2-CD2 3.83Å; L543-L645 HydrophobicContact CD2-CG 3.77Å; L543-L645 HydrophobicContact CG-CD2 4.33Å; L543-M648 HydrophobicContact CD1-CG 4.34Å
544	I	96.1	Very high	93.1	Very high	40 Å²	40	18.1 Å²	18.1	21%	0.205	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-43.5	176	-70.4	165	0	0	0	110.2	T514 K540 S548 M644	T514-I544 HydrophobicContact CG2-CG2 4.12Å; K540-I544 HydrophobicContact CG-CD1 4Å; K540-I544 WeakPolarHBondContact O-CB 3.31Å; K540-I544 WeakPolarHBondContact O-CD1 3.37Å; K540-I544 WeakPolarHBondContact O-CG1 3.14Å; K540-I544 PolarHBondContact O-N 2.86Å; I544-S548 VanDerWaalsContact O-CB 3.3Å; I544-S548 WeakPolarHBondContact O-CB 3.42Å; I544-S548 PolarHBondContact O-N 2.91Å; I544-M644 HydrophobicContact CG1-CE 4.08Å; I544-M644 HydrophobicContact CG1-SD 4.2Å
545	A	96.6	Very high	92.8	Very high	5 Å²	5	27 Å²	27	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-48.3	177.8	0	0	0	0	0	112.2	L541 L542 L543 S548 T549 W809 W813 L818	L541-A545 WeakPolarHBondContact O-CB 3.44Å; L541-A545 PolarHBondContact O-N 3.27Å; L542-A545 WeakPolarHBondContact O-CB 3.31Å; L542-A545 PolarHBondContact O-N 3.39Å; L543-A545 VanDerWaalsContact C-N 3.27Å; L543-A545 PolarHBondContact O-N 3.2Å; A545-S548 PolarHBondContact O-N 2.97Å; A545-T549 WeakPolarHBondContact O-CB 3.37Å; A545-T549 PolarHBondContact O-N 2.93Å; A545-T549 PolarHBondContact O-OG1 3.43Å; A545-W809 HydrophobicContact CB-CH2 3.65Å; A545-W809 HydrophobicContact CB-CZ3 3.81Å; A545-W813 HydrophobicContact CB-CH2 3.91Å; A545-W813 HydrophobicContact CB-CZ2 3.45Å; A545-W813 VanDerWaalsContact CB-CZ2 3.45Å; A545-L818 HydrophobicContact CB-CD2 3.6Å
546	I	96.7	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-49.8	178	-69.2	170.1	0	0	0	109.7	L542 L543 S548 T549 L550 L607 W610 V611 W809	L542-I546 HydrophobicContact CD1-CD1 3.9Å; L542-I546 HydrophobicContact CD1-CG1 4.11Å; L542-I546 HydrophobicContact CG-CD1 3.86Å; L542-I546 HydrophobicContact CG-CG1 4.47Å; L542-I546 VanDerWaalsContact O-CG1 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.46Å; L542-I546 PolarHBondContact O-N 2.9Å; L543-I546 PolarHBondContact O-N 3.1Å; I546-S548 PolarHBondContact O-N 3.26Å; I546-T549 WeakPolarHBondContact O-CB 3.41Å; I546-T549 PolarHBondContact O-N 3.4Å; I546-L550 HydrophobicContact CG2-CD1 3.66Å; I546-L550 HydrophobicContact CG2-CG 4.04Å; I546-L550 WeakPolarHBondContact O-CB 3.42Å; I546-L550 WeakPolarHBondContact O-CG 3.38Å; I546-L550 PolarHBondContact O-N 3.39Å; I546-L607 HydrophobicContact CD1-CB 4.2Å; I546-L607 HydrophobicContact CD1-CD2 4.3Å; I546-L607 HydrophobicContact CG1-CB 4.16Å; I546-L607 HydrophobicContact CG1-CD1 4.39Å; I546-L607 HydrophobicContact CG1-CD2 4.28Å; I546-L607 HydrophobicContact CG2-CB 4.33Å; I546-W610 HydrophobicContact CD1-CD2 3.89Å; I546-W610 HydrophobicContact CD1-CE3 3.3Å; I546-W610 HydrophobicContact CD1-CG 4.48Å; I546-W610 HydrophobicContact CD1-CZ3 3.72Å; I546-V611 HydrophobicContact CG2-CG2 3.96Å; I546-W809 HydrophobicContact CG1-CH2 3.92Å; I546-W809 HydrophobicContact CG1-CZ3 4.4Å
547	S	96.4	Very high	91.5	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.035	18%	0.178	C	C	.	.	H	α-helix	trans	-57.2	-48.5	178.6	177.8	0	0	0	0	112.4	L543 T549 L550 K551 M644 M648	L543-S547 VanDerWaalsContact O-CB 3.25Å; L543-S547 WeakPolarHBondContact O-CB 3.47Å; L543-S547 PolarHBondContact O-N 3.1Å; S547-T549 VanDerWaalsContact C-N 3.27Å; S547-T549 PolarHBondContact O-N 2.88Å; S547-L550 PolarHBondContact O-N 3.27Å; S547-K551 VanDerWaalsContact O-CB 3.28Å; S547-K551 WeakPolarHBondContact O-CB 3.34Å; S547-K551 VanDerWaalsContact O-CG 3.3Å; S547-K551 WeakPolarHBondContact O-CG 3.14Å; S547-K551 PolarHBondContact O-N 3.06Å; S547-K551 WeakPolarHBondContact OG-CE 3.41Å; S547-M644 VanDerWaalsContact CB-SD 3.54Å; S547-M648 VanDerWaalsContact CA-SD 3.54Å; S547-M648 WeakPolarHBondContact OG-CE 3.4Å
548	S	94.6	Very high	90.5	Very high	60 Å²	60	38.2 Å²	38.2	42%	0.42	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-38.9	174.9	173.9	0	0	0	0	112.5	I544 A545 I546 S552 R812	I544-S548 VanDerWaalsContact O-CB 3.3Å; I544-S548 WeakPolarHBondContact O-CB 3.42Å; I544-S548 PolarHBondContact O-N 2.91Å; A545-S548 PolarHBondContact O-N 2.97Å; I546-S548 PolarHBondContact O-N 3.26Å; S548-S552 VanDerWaalsContact O-CB 3.28Å; S548-S552 WeakPolarHBondContact O-CB 3.42Å; S548-S552 PolarHBondContact O-N 2.93Å; S548-S552 PolarHBondContact O-OG 2.78Å; S548-R812 PolarHBondContact OG-NH1 3.05Å; S548-R812 VanDerWaalsContact OG-NH1 3.11Å
549	T	93.8	Very high	89.1	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.043	24%	0.237	C	C	.	.	H	α-helix	trans	-71.6	-50.4	-178.5	-58.3	0	0	0	0	111	A545 I546 S547 S552 W809 R812	A545-T549 WeakPolarHBondContact O-CB 3.37Å; A545-T549 PolarHBondContact O-N 2.93Å; A545-T549 PolarHBondContact O-OG1 3.43Å; I546-T549 WeakPolarHBondContact O-CB 3.41Å; I546-T549 PolarHBondContact O-N 3.4Å; S547-T549 VanDerWaalsContact C-N 3.27Å; S547-T549 PolarHBondContact O-N 2.88Å; T549-S552 PolarHBondContact O-N 3.31Å; T549-S552 PolarHBondContact O-OG 2.94Å; T549-W809 HydrophobicContact CG2-CE3 3.95Å; T549-W809 WeakPolarHBondContact OG1-CZ3 3.49Å; T549-R812 PolarHBondContact OG1-NH1 2.72Å
550	L	93.9	Very high	87.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-43.4	-178.5	-65.2	-175.4	0	0	0	111.8	I546 S547 S552 L553 L604 I608 M648 M651 W655	I546-L550 HydrophobicContact CG2-CD1 3.66Å; I546-L550 HydrophobicContact CG2-CG 4.04Å; I546-L550 WeakPolarHBondContact O-CB 3.42Å; I546-L550 WeakPolarHBondContact O-CG 3.38Å; I546-L550 PolarHBondContact O-N 3.39Å; S547-L550 PolarHBondContact O-N 3.27Å; L550-S552 VanDerWaalsContact C-N 3.25Å; L550-S552 PolarHBondContact O-N 3.23Å; L550-L553 HydrophobicContact CD2-CD1 4.29Å; L550-L553 WeakPolarHBondContact O-CB 3.43Å; L550-L553 PolarHBondContact O-N 2.89Å; L550-L553 VanDerWaalsContact O-N 3.1Å; L550-L604 HydrophobicContact CD2-CD1 4Å; L550-I608 HydrophobicContact CD1-CG1 4.48Å; L550-M648 HydrophobicContact CB-SD 4.41Å; L550-M648 HydrophobicContact CD1-SD 4.05Å; L550-M651 HydrophobicContact CB-CE 3.32Å; L550-M651 HydrophobicContact CB-SD 4.3Å; L550-M651 HydrophobicContact CD1-CE 4.02Å; L550-M651 HydrophobicContact CG-CE 4.32Å; L550-W655 HydrophobicContact CB-CH2 3.95Å; L550-W655 HydrophobicContact CB-CZ3 4.33Å; L550-W655 HydrophobicContact CD1-CZ3 4.25Å; L550-W655 HydrophobicContact CD2-CH2 4.13Å; L550-W655 HydrophobicContact CD2-CZ3 4Å; L550-W655 HydrophobicContact CG-CH2 4.47Å; L550-W655 HydrophobicContact CG-CZ3 4.42Å
551	K	93.2	Very high	85.4	Confident	40 Å²	40	55.9 Å²	55.9	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-32.9	174.1	-71.1	-178.9	-177.3	-177.7	0	112.5	S547 L553 L554 T571 E647 M648	S547-K551 VanDerWaalsContact O-CB 3.28Å; S547-K551 WeakPolarHBondContact O-CB 3.34Å; S547-K551 VanDerWaalsContact O-CG 3.3Å; S547-K551 WeakPolarHBondContact O-CG 3.14Å; S547-K551 PolarHBondContact O-N 3.06Å; S547-K551 WeakPolarHBondContact OG-CE 3.41Å; K551-L553 PolarHBondContact O-N 2.8Å; K551-L554 WeakPolarHBondContact O-CB 3.41Å; K551-L554 WeakPolarHBondContact O-CG 3.05Å; K551-L554 PolarHBondContact O-N 2.9Å; K551-T571 PolarHBondContact NZ-OG1 3.34Å; K551-E647 VanDerWaalsContact CE-OE2 3.25Å; K551-E647 WeakPolarHBondContact CE-OE2 3.42Å; K551-E647 IonicContact NZ-OE2 3.98Å; K551-E647 PolarHBondContact NZ-OE2 3.38Å; K551-M648 HydrophobicContact CG-CE 4.2Å
552	S	90.4	Very high	83.6	Confident	67 Å²	67	59.3 Å²	59.3	47%	0.469	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12	177.9	72.7	0	0	0	0	114.3	S548 T549 L550 R812	S548-S552 VanDerWaalsContact O-CB 3.28Å; S548-S552 WeakPolarHBondContact O-CB 3.42Å; S548-S552 PolarHBondContact O-N 2.93Å; S548-S552 PolarHBondContact O-OG 2.78Å; T549-S552 PolarHBondContact O-N 3.31Å; T549-S552 PolarHBondContact O-OG 2.94Å; L550-S552 VanDerWaalsContact C-N 3.25Å; L550-S552 PolarHBondContact O-N 3.23Å; S552-R812 PolarHBondContact OG-NH2 3.19Å
553	L	89.8	Confident	81.9	Confident	26 Å²	26	67.5 Å²	67.5	14%	0.136	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.2	173.2	-59	175.8	0	0	0	112.1	L550 K551 L596 L601 L604 W655	L550-L553 HydrophobicContact CD2-CD1 4.29Å; L550-L553 WeakPolarHBondContact O-CB 3.43Å; L550-L553 PolarHBondContact O-N 2.89Å; L550-L553 VanDerWaalsContact O-N 3.1Å; K551-L553 PolarHBondContact O-N 2.8Å; L553-L596 HydrophobicContact CB-CD1 3.75Å; L553-L596 HydrophobicContact CB-CD2 4.3Å; L553-L596 HydrophobicContact CD1-CD1 4.26Å; L553-L596 WeakPolarHBondContact O-CD2 3.25Å; L553-L601 HydrophobicContact CD1-CD2 4.23Å; L553-L604 HydrophobicContact CD1-CD1 3.8Å; L553-W655 HydrophobicContact CD1-CH2 4.41Å
554	L	89.8	Confident	80.9	Confident	13 Å²	13	72.6 Å²	72.6	7%	0.068	39%	0.387	C	S	.	.			trans	-65.9	141.6	-177.1	-54.3	177.6	0	0	0	110.9	K551 P566 F594 M651 W655	K551-L554 WeakPolarHBondContact O-CB 3.41Å; K551-L554 WeakPolarHBondContact O-CG 3.05Å; K551-L554 PolarHBondContact O-N 2.9Å; L554-P566 HydrophobicContact CB-CB 3.75Å; L554-P566 HydrophobicContact CB-CG 4.25Å; L554-P566 HydrophobicContact CD1-CB 4.17Å; L554-F594 HydrophobicContact CD1-CD1 4.4Å; L554-F594 HydrophobicContact CD1-CE1 3.96Å; L554-F594 HydrophobicContact CD1-CZ 4.38Å; L554-F594 HydrophobicContact CD2-CB 4.4Å; L554-F594 HydrophobicContact CD2-CD1 3.52Å; L554-F594 HydrophobicContact CD2-CE1 3.94Å; L554-F594 HydrophobicContact CD2-CG 4.05Å; L554-M651 HydrophobicContact CD1-SD 4.03Å; L554-M651 HydrophobicContact CD2-SD 4.08Å; L554-M651 HydrophobicContact CG-SD 4.24Å; L554-W655 HydrophobicContact CD2-CZ2 3.97Å
555	R	83.4	Confident	80.4	Confident	190 Å²	190	73.1 Å²	73.1	72%	0.717	39%	0.394	S	S	*	.			trans	-124.1	136.1	-176.5	-62.1	-170.1	-175.7	-178.1	3.6	111	E593	R555-E593 PolarHBondContact N-O 3.23Å; R555-E593 WeakPolarHBondContact O-CA 3.36Å
556	P	79.7	Confident	80.1	Confident	61 Å²	61	73.1 Å²	73.1	40%	0.396	39%	0.394	S	S	.	.			trans	-60.3	139.6	170.1	-17.7	29.1	0	0	0	110.7	V558 P566	P556-V558 VanDerWaalsContact C-N 3.26Å; P556-V558 PolarHBondContact O-N 2.87Å; P556-P566 HydrophobicContact CG-CG 4.27Å
557	H	68.4	Low	79.8	Confident	132 Å²	132	73.2 Å²	73.2	61%	0.611	40%	0.395	S	S	*	.	S	Bend	trans	-68.6	-25	176.5	-169.2	54.1	0	0	0	112.7	E593	H557-E593 HydrophobicContact CB-CG 4.42Å
558	V	71.3	Confident	79.5	Confident	87 Å²	87	77 Å²	77	53%	0.527	42%	0.415	S	S	.	.	S	Bend	trans	-125.9	126.8	177.1	-178.1	0	0	0	0	109.6	P556 N560	P556-V558 VanDerWaalsContact C-N 3.26Å; P556-V558 PolarHBondContact O-N 2.87Å; V558-N560 VanDerWaalsContact C-N 3.32Å; V558-N560 PolarHBondContact O-N 2.88Å
559	L	62.3	Low	79.4	Confident	168 Å²	168	76.3 Å²	76.3	88%	0.88	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.9	-173.4	-75.1	162.2	0	0	0	114.7
560	N	59.1	Low	79.4	Confident	149 Å²	149	76 Å²	76	80%	0.797	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	14.9	-169.7	-78.6	-12	0	0	0	116	V558	V558-N560 VanDerWaalsContact C-N 3.32Å; V558-N560 PolarHBondContact O-N 2.88Å
561	T	51.1	Low	79.3	Confident	113 Å²	113	78.2 Å²	78.2	69%	0.693	42%	0.415	S	S	*	.			trans	-174.1	145.3	161.1	25.1	0	0	0	0	108.5
562	P	56.7	Low	79.3	Confident	76 Å²	76	79.5 Å²	79.5	49%	0.494	42%	0.421	S	S	.	.			cis	-131	-177.2	31.6	40.2	-22.7	0	0	0	116	K564 R569	P562-K564 PolarHBondContact O-N 2.83Å; P562-R569 VanDerWaalsContact CG-NH1 3.3Å
563	D	60.5	Low	79.5	Confident	178 Å²	178	78.2 Å²	78.2	95%	0.952	41%	0.409	S	S	*	.	S	Bend	trans	-57.3	-11	176.7	-73.7	-37.8	0	0	0	116.1
564	K	74.9	Confident	79.7	Confident	107 Å²	107	77.2 Å²	77.2	47%	0.465	40%	0.404	S	S	.	.	S	Bend	trans	-125.3	136.9	-175.8	-70.2	-177.8	174.7	178.9	0	112.2	P562 D568 R569 E572	P562-K564 PolarHBondContact O-N 2.83Å; K564-D568 HydrophobicContact CB-CB 4.3Å; K564-R569 PolarHBondContact O-NH1 2.88Å; K564-E572 IonicContact NZ-OE1 3.31Å; K564-E572 IonicContact NZ-OE2 3.16Å; K564-E572 PolarHBondContact NZ-OE2 2.87Å
565	S	86.8	Confident	79.8	Confident	51 Å²	51	78.8 Å²	78.8	36%	0.357	42%	0.419	S	S	.	.			trans	-74.3	160.2	178.2	75.6	0	0	0	0	112.3	G567 D568 R569	S565-G567 PolarHBondContact O-N 2.71Å; S565-D568 VanDerWaalsContact CB-OD2 3.3Å; S565-D568 WeakPolarHBondContact CB-OD2 3.47Å; S565-D568 PolarHBondContact N-OD2 3.16Å; S565-D568 WeakPolarHBondContact O-CB 3.36Å; S565-D568 PolarHBondContact O-N 3.03Å; S565-D568 PolarHBondContact OG-N 3.43Å; S565-D568 PolarHBondContact OG-OD2 2.88Å; S565-R569 PolarHBondContact O-N 3.24Å
566	P	89.6	Confident	80.2	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.032	42%	0.415	C	S	.	.	H	α-helix	trans	-54.8	-36.5	171.8	-25.1	32.9	0	0	0	113.2	L554 P556 D568 R569 L570 E593	L554-P566 HydrophobicContact CB-CB 3.75Å; L554-P566 HydrophobicContact CB-CG 4.25Å; L554-P566 HydrophobicContact CD1-CB 4.17Å; P556-P566 HydrophobicContact CG-CG 4.27Å; P566-D568 VanDerWaalsContact C-N 3.35Å; P566-R569 PolarHBondContact O-N 2.74Å; P566-L570 PolarHBondContact O-N 3.48Å; P566-E593 HydrophobicContact CB-CB 4.13Å; P566-E593 WeakPolarHBondContact CB-OE2 3.31Å; P566-E593 HydrophobicContact CG-CB 4.34Å
567	G	90.9	Very high	80.9	Confident	3 Å²	3	75.3 Å²	75.3	3%	0.031	40%	0.404	C	S	.	.	H	α-helix	trans	-64.3	-37.6	175.2	0	0	0	0	0	112.8	S565 T571	S565-G567 PolarHBondContact O-N 2.71Å; G567-T571 PolarHBondContact O-N 3.13Å; G567-T571 PolarHBondContact O-OG1 3.41Å
568	D	90.2	Very high	82.1	Confident	84 Å²	84	72.3 Å²	72.3	45%	0.449	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-38.5	175.6	-56.1	-42.5	0	0	0	111.1	K564 S565 P566 T571 E572	K564-D568 HydrophobicContact CB-CB 4.3Å; S565-D568 VanDerWaalsContact CB-OD2 3.3Å; S565-D568 WeakPolarHBondContact CB-OD2 3.47Å; S565-D568 PolarHBondContact N-OD2 3.16Å; S565-D568 WeakPolarHBondContact O-CB 3.36Å; S565-D568 PolarHBondContact O-N 3.03Å; S565-D568 PolarHBondContact OG-N 3.43Å; S565-D568 PolarHBondContact OG-OD2 2.88Å; P566-D568 VanDerWaalsContact C-N 3.35Å; D568-T571 WeakPolarHBondContact O-CB 3.33Å; D568-T571 PolarHBondContact O-N 3.35Å; D568-E572 WeakPolarHBondContact O-CB 3.4Å; D568-E572 PolarHBondContact O-N 3.41Å
569	R	90.9	Very high	83.2	Confident	45 Å²	45	70.5 Å²	70.5	17%	0.17	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-45.1	173.7	-75.4	-169.7	-76.9	-81.7	2.7	112.3	P562 K564 S565 P566 T571 E572 I573 E593	P562-R569 VanDerWaalsContact CG-NH1 3.3Å; K564-R569 PolarHBondContact O-NH1 2.88Å; S565-R569 PolarHBondContact O-N 3.24Å; P566-R569 PolarHBondContact O-N 2.74Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 2.97Å; R569-E572 PolarHBondContact O-N 3.42Å; R569-I573 WeakPolarHBondContact O-CB 3.18Å; R569-I573 WeakPolarHBondContact O-CG1 3.11Å; R569-I573 PolarHBondContact O-N 3.21Å; R569-E593 IonicContact CZ-OE1 2.82Å; R569-E593 IonicContact CZ-OE2 3.92Å; R569-E593 VanDerWaalsContact CZ-OE2 3.31Å; R569-E593 IonicContact NE-OE1 3.96Å; R569-E593 PolarHBondContact NE-OE1 2.99Å; R569-E593 IonicContact NE-OE2 3.02Å; R569-E593 PolarHBondContact NE-OE2 3.49Å; R569-E593 IonicContact NH2-OE1 3.6Å; R569-E593 PolarHBondContact NH2-OE1 2.93Å; R569-E593 IonicContact NH2-OE2 3.66Å; R569-E593 PolarHBondContact NH2-OE2 3.14Å
570	L	93.8	Very high	84.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-56	-49	174.2	174.9	67.3	0	0	0	110.7	P566 E572 I573 C574 L589 F594 E647 V650 M651	P566-L570 PolarHBondContact O-N 3.48Å; L570-E572 VanDerWaalsContact C-N 3.34Å; L570-E572 PolarHBondContact O-N 3.35Å; L570-I573 PolarHBondContact O-N 2.92Å; L570-C574 WeakPolarHBondContact O-CB 3.47Å; L570-C574 PolarHBondContact O-N 3.33Å; L570-C574 PolarHBondContact O-SG 3.18Å; L570-L589 HydrophobicContact CD1-CD1 3.74Å; L570-L589 HydrophobicContact CD1-CD2 4.17Å; L570-F594 HydrophobicContact CB-CZ 4.42Å; L570-F594 HydrophobicContact CD1-CE1 4.43Å; L570-F594 HydrophobicContact CD1-CZ 4.27Å; L570-F594 HydrophobicContact CD2-CE1 4.38Å; L570-E647 HydrophobicContact CD2-CB 4.26Å; L570-E647 HydrophobicContact CG-CB 4.36Å; L570-V650 HydrophobicContact CD1-CB 4.4Å; L570-V650 HydrophobicContact CD1-CG1 3.94Å; L570-M651 HydrophobicContact CD2-CB 4.2Å; L570-M651 HydrophobicContact CD2-SD 4.33Å
571	T	93.5	Very high	86.5	Confident	47 Å²	47	59.6 Å²	59.6	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-56.2	-48.9	177.2	-51.1	0	0	0	0	110.8	K551 G567 D568 R569 I573 A575 E647	K551-T571 PolarHBondContact NZ-OG1 3.34Å; G567-T571 PolarHBondContact O-N 3.13Å; G567-T571 PolarHBondContact O-OG1 3.41Å; D568-T571 WeakPolarHBondContact O-CB 3.33Å; D568-T571 PolarHBondContact O-N 3.35Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 2.97Å; T571-I573 PolarHBondContact O-N 3.26Å; T571-A575 VanDerWaalsContact O-CB 3.25Å; T571-A575 WeakPolarHBondContact O-CB 3.31Å; T571-A575 PolarHBondContact O-N 3.34Å; T571-E647 WeakPolarHBondContact CG2-OE1 3.49Å
572	E	93.1	Very high	88.6	Confident	67 Å²	67	54.2 Å²	54.2	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-42.2	-179.7	-176.4	172.2	177.6	0	0	113	K564 D568 R569 L570 K576	K564-E572 IonicContact NZ-OE1 3.31Å; K564-E572 IonicContact NZ-OE2 3.16Å; K564-E572 PolarHBondContact NZ-OE2 2.87Å; D568-E572 WeakPolarHBondContact O-CB 3.4Å; D568-E572 PolarHBondContact O-N 3.41Å; R569-E572 PolarHBondContact O-N 3.42Å; L570-E572 VanDerWaalsContact C-N 3.34Å; L570-E572 PolarHBondContact O-N 3.35Å; E572-K576 HydrophobicContact CG-CD 4.36Å; E572-K576 WeakPolarHBondContact O-CG 3.27Å; E572-K576 PolarHBondContact O-N 2.99Å; E572-K576 IonicContact OE1-NZ 2.93Å; E572-K576 PolarHBondContact OE1-NZ 3.3Å
573	I	93.8	Very high	90.3	Very high	41 Å²	41	53.1 Å²	53.1	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-46.7	179.8	-72.2	163.3	0	0	0	110.8	R569 L570 T571 A575 K576 N577 N588 L589	R569-I573 WeakPolarHBondContact O-CB 3.18Å; R569-I573 WeakPolarHBondContact O-CG1 3.11Å; R569-I573 PolarHBondContact O-N 3.21Å; L570-I573 PolarHBondContact O-N 2.92Å; T571-I573 PolarHBondContact O-N 3.26Å; I573-A575 VanDerWaalsContact C-N 3.3Å; I573-A575 PolarHBondContact O-N 3.49Å; I573-K576 PolarHBondContact O-N 2.9Å; I573-N577 VanDerWaalsContact O-CB 3.22Å; I573-N577 WeakPolarHBondContact O-CB 3.41Å; I573-N577 PolarHBondContact O-N 3.12Å; I573-N588 WeakPolarHBondContact CD1-O 3.27Å; I573-N588 HydrophobicContact CG2-CB 3.97Å; I573-L589 HydrophobicContact CB-CD2 4.25Å; I573-L589 HydrophobicContact CD1-CD2 3.4Å; I573-L589 HydrophobicContact CD1-CG 4.26Å; I573-L589 HydrophobicContact CG1-CD2 4.41Å; I573-L589 HydrophobicContact CG2-CD2 4.29Å; I573-L589 HydrophobicContact CG2-CG 4.45Å
574	C	93.9	Very high	92	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-34.1	178.6	-72.9	0	0	0	0	112.5	L570 E647	L570-C574 WeakPolarHBondContact O-CB 3.47Å; L570-C574 PolarHBondContact O-N 3.33Å; L570-C574 PolarHBondContact O-SG 3.18Å; C574-E647 HydrophobicContact CB-CG 3.66Å
575	A	92.5	Very high	92.9	Very high	47 Å²	47	44.5 Å²	44.5	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-68.1	-34.6	175.7	0	0	0	0	0	112.9	T571 I573 W687	T571-A575 VanDerWaalsContact O-CB 3.25Å; T571-A575 WeakPolarHBondContact O-CB 3.31Å; T571-A575 PolarHBondContact O-N 3.34Å; I573-A575 VanDerWaalsContact C-N 3.3Å; I573-A575 PolarHBondContact O-N 3.49Å; A575-W687 VanDerWaalsContact O-CH2 3.32Å; A575-W687 WeakPolarHBondContact O-CH2 3.1Å
576	K	92.1	Very high	93.1	Very high	147 Å²	147	42.9 Å²	42.9	64%	0.639	23%	0.225	S	C	*	.	H	α-helix	trans	-87.5	-30.1	-179.3	-67.7	177	-171.1	176.1	0	113.4	E572 I573	E572-K576 HydrophobicContact CG-CD 4.36Å; E572-K576 WeakPolarHBondContact O-CG 3.27Å; E572-K576 PolarHBondContact O-N 2.99Å; E572-K576 IonicContact OE1-NZ 2.93Å; E572-K576 PolarHBondContact OE1-NZ 3.3Å; I573-K576 PolarHBondContact O-N 2.9Å
577	N	93.2	Very high	93.2	Very high	31 Å²	31	49.3 Å²	49.3	17%	0.166	26%	0.257	C	S	.	.			trans	-85.9	116.1	-173.6	-165.6	-37.5	0	0	0	111.9	I573 D579 V585 N588 R646	I573-N577 VanDerWaalsContact O-CB 3.22Å; I573-N577 WeakPolarHBondContact O-CB 3.41Å; I573-N577 PolarHBondContact O-N 3.12Å; N577-D579 WeakPolarHBondContact OD1-CB 3.34Å; N577-D579 PolarHBondContact OD1-N 2.93Å; N577-V585 HydrophobicContact CB-CG1 4.37Å; N577-N588 PolarHBondContact ND2-ND2 3.04Å; N577-N588 VanDerWaalsContact ND2-ND2 3.14Å; N577-R646 PolarHBondContact O-NH2 2.81Å
578	T	93.4	Very high	93.2	Very high	68 Å²	68	53.6 Å²	53.6	42%	0.417	28%	0.28	S	S	.	.			trans	-95.9	1.8	-179.3	60.8	0	0	0	0	113.9	T580 L688	T578-T580 PolarHBondContact O-N 3.12Å; T578-L688 HydrophobicContact CG2-CD2 3.77Å
579	D	95.1	Very high	93.1	Very high	49 Å²	49	50.4 Å²	50.4	26%	0.262	26%	0.262	S	S	.	.			trans	-65.5	133.5	-179.9	-152.6	-46.7	0	0	0	109.9	N577 D581 K584 V585	N577-D579 WeakPolarHBondContact OD1-CB 3.34Å; N577-D579 PolarHBondContact OD1-N 2.93Å; D579-D581 VanDerWaalsContact C-N 3.28Å; D579-D581 WeakPolarHBondContact OD1-CB 3.2Å; D579-D581 PolarHBondContact OD1-N 3.4Å; D579-K584 HydrophobicContact CB-CB 4.5Å; D579-K584 WeakPolarHBondContact OD2-CD 3.24Å; D579-K584 IonicContact OD2-NZ 3.3Å; D579-V585 HydrophobicContact CB-CG2 4.3Å
580	T	95	Very high	92.9	Very high	47 Å²	47	54.4 Å²	54.4	29%	0.288	28%	0.281	S	S	.	.	S	Bend	trans	-83.8	-10.4	179.8	62.1	0	0	0	0	112.1	T578 F680 R681 T684 K685	T578-T580 PolarHBondContact O-N 3.12Å; T580-F680 WeakPolarHBondContact O-CD1 3.48Å; T580-R681 WeakPolarHBondContact O-CA 3.23Å; T580-T684 HydrophobicContact CG2-CG2 3.97Å; T580-K685 HydrophobicContact CG2-CG 4.27Å
581	D	95.3	Very high	92.2	Very high	41 Å²	41	58 Å²	58	22%	0.219	30%	0.303	C	S	.	.			trans	-90.7	114.1	175	-172.8	2.4	0	0	0	110.8	D579 D583 K584 V585 Q677	D579-D581 VanDerWaalsContact C-N 3.28Å; D579-D581 WeakPolarHBondContact OD1-CB 3.2Å; D579-D581 PolarHBondContact OD1-N 3.4Å; D581-D583 VanDerWaalsContact C-N 3.25Å; D581-D583 PolarHBondContact O-N 2.89Å; D581-D583 PolarHBondContact OD1-N 3.27Å; D581-K584 HydrophobicContact CB-CB 4.34Å; D581-K584 HydrophobicContact CB-CD 4.02Å; D581-K584 HydrophobicContact CB-CG 4.13Å; D581-K584 PolarHBondContact O-N 3.09Å; D581-V585 PolarHBondContact O-N 2.97Å; D581-Q677 PolarHBondContact OD1-NE2 2.9Å
582	I	95.2	Very high	91.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-36.2	-174.8	-164.7	167.9	0	0	0	112.4	K584 V585 M586 L649 V650 R653 Q677 F680	I582-K584 VanDerWaalsContact C-N 3.34Å; I582-K584 PolarHBondContact O-N 3Å; I582-V585 WeakPolarHBondContact O-CB 3.47Å; I582-V585 PolarHBondContact O-N 3.25Å; I582-M586 HydrophobicContact CG1-SD 4.28Å; I582-M586 WeakPolarHBondContact O-CG 3.28Å; I582-M586 PolarHBondContact O-N 2.81Å; I582-M586 VanDerWaalsContact O-N 3.08Å; I582-L649 HydrophobicContact CD1-CB 4.45Å; I582-V650 HydrophobicContact CG1-CG2 4.15Å; I582-R653 HydrophobicContact CD1-CB 3.57Å; I582-R653 HydrophobicContact CD1-CG 3.86Å; I582-R653 HydrophobicContact CG1-CB 4.28Å; I582-R653 HydrophobicContact CG1-CG 4.23Å; I582-R653 HydrophobicContact CG2-CG 4.24Å; I582-Q677 HydrophobicContact CG2-CB 4.5Å; I582-Q677 HydrophobicContact CG2-CG 4.3Å; I582-F680 HydrophobicContact CB-CB 4.19Å; I582-F680 HydrophobicContact CB-CD1 3.52Å; I582-F680 HydrophobicContact CB-CD2 4.39Å; I582-F680 HydrophobicContact CB-CE1 3.94Å; I582-F680 HydrophobicContact CB-CG 3.77Å; I582-F680 HydrophobicContact CD1-CB 3.98Å; I582-F680 HydrophobicContact CD1-CD1 4.45Å; I582-F680 HydrophobicContact CD1-CD2 3.83Å; I582-F680 HydrophobicContact CD1-CE2 4.46Å; I582-F680 HydrophobicContact CD1-CG 3.82Å; I582-F680 HydrophobicContact CG1-CB 4.44Å; I582-F680 HydrophobicContact CG1-CD1 4.02Å; I582-F680 HydrophobicContact CG1-CD2 4.01Å; I582-F680 HydrophobicContact CG1-CE1 4.25Å; I582-F680 HydrophobicContact CG1-CE2 4.26Å; I582-F680 HydrophobicContact CG1-CG 3.88Å; I582-F680 HydrophobicContact CG1-CZ 4.35Å
583	D	93.8	Very high	91.6	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-71.4	-33	-175.6	-64.2	-35.2	0	0	0	110.6	D581 M586 I587 R653	D581-D583 VanDerWaalsContact C-N 3.25Å; D581-D583 PolarHBondContact O-N 2.89Å; D581-D583 PolarHBondContact OD1-N 3.27Å; D583-M586 PolarHBondContact O-N 2.88Å; D583-I587 WeakPolarHBondContact O-CG1 3.34Å; D583-I587 PolarHBondContact O-N 2.94Å; D583-R653 IonicContact OD1-CZ 2.88Å; D583-R653 IonicContact OD1-NE 3.25Å; D583-R653 PolarHBondContact OD1-NE 3.48Å; D583-R653 IonicContact OD1-NH2 2.68Å; D583-R653 IonicContact OD2-NH2 3.9Å; D583-R653 PolarHBondContact OD2-NH2 2.79Å
584	K	94.3	Very high	91.3	Very high	104 Å²	104	56 Å²	56	45%	0.452	29%	0.29	S	S	.	.	H	α-helix	trans	-68.6	-34.5	172.6	-68.4	-178.5	-171.9	170.5	0	113	D579 D581 I582 M586 N588	D579-K584 HydrophobicContact CB-CB 4.5Å; D579-K584 WeakPolarHBondContact OD2-CD 3.24Å; D579-K584 IonicContact OD2-NZ 3.3Å; D581-K584 HydrophobicContact CB-CB 4.34Å; D581-K584 HydrophobicContact CB-CD 4.02Å; D581-K584 HydrophobicContact CB-CG 4.13Å; D581-K584 PolarHBondContact O-N 3.09Å; I582-K584 VanDerWaalsContact C-N 3.34Å; I582-K584 PolarHBondContact O-N 3Å; K584-M586 VanDerWaalsContact C-N 3.32Å; K584-N588 PolarHBondContact O-ND2 3.13Å
585	V	93.8	Very high	90.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-44.2	173.7	-178.6	0	0	0	0	109.8	N577 D579 D581 I582 I587 N588 V650 F680	N577-V585 HydrophobicContact CB-CG1 4.37Å; D579-V585 HydrophobicContact CB-CG2 4.3Å; D581-V585 PolarHBondContact O-N 2.97Å; I582-V585 WeakPolarHBondContact O-CB 3.47Å; I582-V585 PolarHBondContact O-N 3.25Å; V585-I587 VanDerWaalsContact C-N 3.32Å; V585-I587 PolarHBondContact O-N 2.67Å; V585-N588 WeakPolarHBondContact O-CB 3.16Å; V585-N588 PolarHBondContact O-N 3.29Å; V585-N588 VanDerWaalsContact O-N 3.14Å; V585-N588 PolarHBondContact O-ND2 3.48Å; V585-V650 HydrophobicContact CG1-CG2 4.14Å; V585-F680 HydrophobicContact CG2-CE1 4.08Å; V585-F680 HydrophobicContact CG2-CZ 3.97Å
586	M	92.1	Very high	90.4	Very high	17 Å²	17	59.5 Å²	59.5	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-31.6	-178.3	-72	168.7	44	0	0	114.5	I582 D583 K584 N588 L589 V650 R653 I654 L657	I582-M586 HydrophobicContact CG1-SD 4.28Å; I582-M586 WeakPolarHBondContact O-CG 3.28Å; I582-M586 PolarHBondContact O-N 2.81Å; I582-M586 VanDerWaalsContact O-N 3.08Å; D583-M586 PolarHBondContact O-N 2.88Å; K584-M586 VanDerWaalsContact C-N 3.32Å; M586-N588 PolarHBondContact O-N 3.34Å; M586-N588 VanDerWaalsContact O-N 3.11Å; M586-L589 WeakPolarHBondContact O-CB 3.3Å; M586-L589 PolarHBondContact O-N 2.86Å; M586-V650 HydrophobicContact CG-CG1 3.94Å; M586-R653 HydrophobicContact CE-CG 4.07Å; M586-R653 HydrophobicContact SD-CB 3.85Å; M586-R653 HydrophobicContact SD-CG 3.32Å; M586-R653 WeakPolarHBondContact SD-CG 3.4Å; M586-I654 HydrophobicContact CE-CB 4.42Å; M586-I654 HydrophobicContact CE-CG1 3.61Å; M586-I654 HydrophobicContact CG-CD1 4.25Å; M586-I654 HydrophobicContact CG-CG1 3.87Å; M586-I654 HydrophobicContact SD-CG1 3.96Å; M586-L657 HydrophobicContact CE-CD1 3.4Å; M586-L657 HydrophobicContact CE-CG 4.4Å
587	I	91	Very high	89.6	Confident	140 Å²	140	58.5 Å²	58.5	72%	0.718	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25	176.5	-68.2	166.6	0	0	0	112	D583 V585 L589	D583-I587 WeakPolarHBondContact O-CG1 3.34Å; D583-I587 PolarHBondContact O-N 2.94Å; V585-I587 VanDerWaalsContact C-N 3.32Å; V585-I587 PolarHBondContact O-N 2.67Å; I587-L589 VanDerWaalsContact C-N 3.25Å; I587-L589 PolarHBondContact O-N 3.05Å
588	N	90.4	Very high	88.8	Confident	94 Å²	94	57.6 Å²	57.6	50%	0.503	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.3	177.8	-58.6	-74.9	0	0	0	113.4	I573 N577 K584 V585 M586	I573-N588 WeakPolarHBondContact CD1-O 3.27Å; I573-N588 HydrophobicContact CG2-CB 3.97Å; N577-N588 PolarHBondContact ND2-ND2 3.04Å; N577-N588 VanDerWaalsContact ND2-ND2 3.14Å; K584-N588 PolarHBondContact O-ND2 3.13Å; V585-N588 WeakPolarHBondContact O-CB 3.16Å; V585-N588 PolarHBondContact O-N 3.29Å; V585-N588 VanDerWaalsContact O-N 3.14Å; V585-N588 PolarHBondContact O-ND2 3.48Å; M586-N588 PolarHBondContact O-N 3.34Å; M586-N588 VanDerWaalsContact O-N 3.11Å
589	L	89.6	Confident	88.3	Confident	16 Å²	16	58.7 Å²	58.7	8%	0.084	31%	0.312	C	S	.	.	S	Bend	trans	-105	145.8	-178	-66.6	167.2	0	0	0	111.6	L570 I573 M586 I587 T591 F594 V650 I654	L570-L589 HydrophobicContact CD1-CD1 3.74Å; L570-L589 HydrophobicContact CD1-CD2 4.17Å; I573-L589 HydrophobicContact CB-CD2 4.25Å; I573-L589 HydrophobicContact CD1-CD2 3.4Å; I573-L589 HydrophobicContact CD1-CG 4.26Å; I573-L589 HydrophobicContact CG1-CD2 4.41Å; I573-L589 HydrophobicContact CG2-CD2 4.29Å; I573-L589 HydrophobicContact CG2-CG 4.45Å; M586-L589 WeakPolarHBondContact O-CB 3.3Å; M586-L589 PolarHBondContact O-N 2.86Å; I587-L589 VanDerWaalsContact C-N 3.25Å; I587-L589 PolarHBondContact O-N 3.05Å; L589-T591 PolarHBondContact O-N 2.98Å; L589-F594 HydrophobicContact CB-CE2 4.19Å; L589-F594 HydrophobicContact CD1-CZ 4.18Å; L589-F594 HydrophobicContact CD2-CE2 4.36Å; L589-F594 HydrophobicContact CD2-CZ 4.18Å; L589-V650 HydrophobicContact CD1-CG1 3.55Å; L589-I654 HydrophobicContact CD1-CD1 3.78Å
590	K	86.1	Confident	87.7	Confident	130 Å²	130	58.4 Å²	58.4	57%	0.565	31%	0.313	S	S	*	.			trans	-80.3	98.5	172.3	-67.8	-177.9	179.6	-176.2	0	109.7	E592 E593 F594	K590-E592 PolarHBondContact O-N 3.08Å; K590-E592 VanDerWaalsContact O-N 3.1Å; K590-E593 HydrophobicContact CB-CG 4.05Å; K590-E593 PolarHBondContact O-N 2.99Å; K590-E593 VanDerWaalsContact O-N 3.09Å; K590-F594 WeakPolarHBondContact O-CD2 3.41Å
591	T	79.8	Confident	87.2	Confident	75 Å²	75	56.3 Å²	56.3	46%	0.46	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57.8	-25.5	-174.4	59.9	0	0	0	0	113.8	L589 E593 F594	L589-T591 PolarHBondContact O-N 2.98Å; T591-E593 PolarHBondContact O-N 2.67Å; T591-F594 PolarHBondContact O-N 2.84Å; T591-F594 VanDerWaalsContact O-N 3.09Å
592	E	85.5	Confident	86.8	Confident	99 Å²	99	59.4 Å²	59.4	46%	0.463	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.8	178.2	-54.4	82.5	179.8	0	0	112.7	K590 F594	K590-E592 PolarHBondContact O-N 3.08Å; K590-E592 VanDerWaalsContact O-N 3.1Å; E592-F594 PolarHBondContact O-N 2.87Å
593	E	86.9	Confident	86.5	Confident	13 Å²	13	60 Å²	60	6%	0.061	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-75.7	-12.7	179.4	-56.9	-173.7	164.9	0	0	112.9	R555 H557 P566 R569 K590 T591	R555-E593 PolarHBondContact N-O 3.23Å; R555-E593 WeakPolarHBondContact O-CA 3.36Å; H557-E593 HydrophobicContact CB-CG 4.42Å; P566-E593 HydrophobicContact CB-CB 4.13Å; P566-E593 WeakPolarHBondContact CB-OE2 3.31Å; P566-E593 HydrophobicContact CG-CB 4.34Å; R569-E593 IonicContact CZ-OE1 2.82Å; R569-E593 IonicContact CZ-OE2 3.92Å; R569-E593 VanDerWaalsContact CZ-OE2 3.31Å; R569-E593 IonicContact NE-OE1 3.96Å; R569-E593 PolarHBondContact NE-OE1 2.99Å; R569-E593 IonicContact NE-OE2 3.02Å; R569-E593 PolarHBondContact NE-OE2 3.49Å; R569-E593 IonicContact NH2-OE1 3.6Å; R569-E593 PolarHBondContact NH2-OE1 2.93Å; R569-E593 IonicContact NH2-OE2 3.66Å; R569-E593 PolarHBondContact NH2-OE2 3.14Å; K590-E593 HydrophobicContact CB-CG 4.05Å; K590-E593 PolarHBondContact O-N 2.99Å; K590-E593 VanDerWaalsContact O-N 3.09Å; T591-E593 PolarHBondContact O-N 2.67Å
594	F	88.7	Confident	86.4	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-106.5	-4.6	-176.1	-65.4	-100.4	0	0	0	113	L554 L570 L589 K590 T591 E592 L596 M651 I654 W655	L554-F594 HydrophobicContact CD1-CD1 4.4Å; L554-F594 HydrophobicContact CD1-CE1 3.96Å; L554-F594 HydrophobicContact CD1-CZ 4.38Å; L554-F594 HydrophobicContact CD2-CB 4.4Å; L554-F594 HydrophobicContact CD2-CD1 3.52Å; L554-F594 HydrophobicContact CD2-CE1 3.94Å; L554-F594 HydrophobicContact CD2-CG 4.05Å; L570-F594 HydrophobicContact CB-CZ 4.42Å; L570-F594 HydrophobicContact CD1-CE1 4.43Å; L570-F594 HydrophobicContact CD1-CZ 4.27Å; L570-F594 HydrophobicContact CD2-CE1 4.38Å; L589-F594 HydrophobicContact CB-CE2 4.19Å; L589-F594 HydrophobicContact CD1-CZ 4.18Å; L589-F594 HydrophobicContact CD2-CE2 4.36Å; L589-F594 HydrophobicContact CD2-CZ 4.18Å; K590-F594 WeakPolarHBondContact O-CD2 3.41Å; T591-F594 PolarHBondContact O-N 2.84Å; T591-F594 VanDerWaalsContact O-N 3.09Å; E592-F594 PolarHBondContact O-N 2.87Å; F594-L596 PolarHBondContact O-N 2.87Å; F594-M651 HydrophobicContact CD1-CG 4.11Å; F594-M651 HydrophobicContact CE1-CB 4.46Å; F594-M651 HydrophobicContact CE1-CG 4.15Å; F594-I654 HydrophobicContact CB-CG2 3.62Å; F594-I654 HydrophobicContact CD1-CD1 3.82Å; F594-I654 HydrophobicContact CD1-CG2 4.41Å; F594-I654 HydrophobicContact CD2-CD1 4.29Å; F594-I654 HydrophobicContact CE1-CD1 3.89Å; F594-I654 HydrophobicContact CE2-CD1 4.36Å; F594-I654 HydrophobicContact CG-CD1 4.04Å; F594-I654 HydrophobicContact CG-CG2 4.06Å; F594-I654 HydrophobicContact CZ-CD1 4.17Å; F594-W655 VanDerWaalsContact O-CD1 3.28Å; F594-W655 PolarHBondContact O-NE1 2.88Å
595	V	84.6	Confident	86.3	Confident	95 Å²	95	53.7 Å²	53.7	58%	0.576	29%	0.289	S	S	*	.			trans	-70.2	118.7	-179.2	-179.3	0	0	0	0	110	L658	V595-L658 HydrophobicContact CG2-CD1 4.31Å
596	L	82.3	Confident	86.3	Confident	30 Å²	30	58.2 Å²	58.2	16%	0.157	31%	0.31	C	S	.	.			trans	-131.4	153	-179.4	-65.5	174.6	0	0	0	112.1	L553 F594 L601 W655	L553-L596 HydrophobicContact CB-CD1 3.75Å; L553-L596 HydrophobicContact CB-CD2 4.3Å; L553-L596 HydrophobicContact CD1-CD1 4.26Å; L553-L596 WeakPolarHBondContact O-CD2 3.25Å; F594-L596 PolarHBondContact O-N 2.87Å; L596-L601 HydrophobicContact CB-CD1 3.96Å; L596-L601 HydrophobicContact CB-CG 4.29Å; L596-L601 HydrophobicContact CD1-CD1 4.2Å; L596-L601 HydrophobicContact CD1-CD2 3.83Å; L596-L601 HydrophobicContact CD1-CG 4.11Å; L596-W655 HydrophobicContact CD1-CH2 4.41Å; L596-W655 HydrophobicContact CD1-CZ2 3.5Å; L596-W655 VanDerWaalsContact CD1-CZ2 3.5Å
597	D	76.5	Confident	86.4	Confident	125 Å²	125	57.5 Å²	57.5	67%	0.668	31%	0.306	S	S	*	.			trans	-62.2	147.6	167.7	-66.4	-32.6	0	0	0	110.4	P600	D597-P600 HydrophobicContact CB-CG 4.31Å; D597-P600 WeakPolarHBondContact O-CD 3.46Å
598	G	75.1	Confident	86.6	Confident	12 Å²	12	50.9 Å²	50.9	12%	0.124	27%	0.272	C	S	.	.	H	α-helix	trans	-71.1	-42.7	-173.3	0	0	0	0	0	114.4	L601 Q602	G598-L601 PolarHBondContact O-N 2.99Å; G598-Q602 PolarHBondContact O-N 3.48Å
599	P	83.1	Confident	86.8	Confident	91 Å²	91	47.7 Å²	47.7	59%	0.591	25%	0.254	S	S	*	.	H	α-helix	trans	-59.2	-40.6	-177	-23.4	32.6	0	0	0	115.2	S603	P599-S603 WeakPolarHBondContact O-CB 3.18Å; P599-S603 PolarHBondContact O-N 2.94Å; P599-S603 VanDerWaalsContact O-N 3.1Å; P599-S603 PolarHBondContact O-OG 2.62Å
600	P	83.6	Confident	87.1	Confident	43 Å²	43	47.4 Å²	47.4	28%	0.279	25%	0.252	S	S	.	.	H	α-helix	trans	-55.8	-50.4	171.7	-28.7	35.4	0	0	0	113.8	D597 S603 L604 A805	D597-P600 HydrophobicContact CB-CG 4.31Å; D597-P600 WeakPolarHBondContact O-CD 3.46Å; P600-S603 PolarHBondContact O-N 2.86Å; P600-S603 PolarHBondContact O-OG 3.4Å; P600-L604 PolarHBondContact O-N 3.24Å; P600-A805 HydrophobicContact CB-CB 4.05Å
601	L	84.3	Confident	87.6	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-45	-178.5	-71.3	176.3	0	0	0	111.9	L553 L596 G598 S603 L604 Q605 W655 C662	L553-L601 HydrophobicContact CD1-CD2 4.23Å; L596-L601 HydrophobicContact CB-CD1 3.96Å; L596-L601 HydrophobicContact CB-CG 4.29Å; L596-L601 HydrophobicContact CD1-CD1 4.2Å; L596-L601 HydrophobicContact CD1-CD2 3.83Å; L596-L601 HydrophobicContact CD1-CG 4.11Å; G598-L601 PolarHBondContact O-N 2.99Å; L601-S603 PolarHBondContact O-N 3.36Å; L601-L604 CarbonylContact O-C 3.19Å; L601-L604 PolarHBondContact O-N 3.42Å; L601-Q605 PolarHBondContact O-N 2.85Å; L601-W655 HydrophobicContact CD1-CB 4.03Å; L601-W655 HydrophobicContact CD1-CD2 3.94Å; L601-W655 HydrophobicContact CD1-CE3 4.48Å; L601-W655 HydrophobicContact CD1-CG 3.73Å; L601-W655 HydrophobicContact CD2-CD2 3.68Å; L601-W655 HydrophobicContact CD2-CE3 3.55Å; L601-W655 HydrophobicContact CD2-CG 4.37Å; L601-W655 HydrophobicContact CD2-CH2 3.85Å; L601-W655 HydrophobicContact CD2-CZ2 3.99Å; L601-W655 HydrophobicContact CD2-CZ3 3.64Å; L601-W655 HydrophobicContact CG-CD2 4.49Å; L601-C662 VanDerWaalsContact CB-SG 3.6Å
602	Q	87.1	Confident	88.3	Confident	105 Å²	105	37.6 Å²	37.6	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-58.5	-35.6	176.9	-165.7	66	49	0	0	112	G598 L604 Q605 G661	G598-Q602 PolarHBondContact O-N 3.48Å; Q602-L604 PolarHBondContact O-N 3.47Å; Q602-Q605 WeakPolarHBondContact O-CB 3.08Å; Q602-Q605 PolarHBondContact O-N 2.78Å; Q602-G661 PolarHBondContact OE1-O 3.48Å
603	S	88.4	Confident	88.8	Confident	14 Å²	14	35 Å²	35	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-71.3	-18.9	177.8	71.2	0	0	0	0	114.5	P599 P600 L601 N801 T803	P599-S603 WeakPolarHBondContact O-CB 3.18Å; P599-S603 PolarHBondContact O-N 2.94Å; P599-S603 VanDerWaalsContact O-N 3.1Å; P599-S603 PolarHBondContact O-OG 2.62Å; P600-S603 PolarHBondContact O-N 2.86Å; P600-S603 PolarHBondContact O-OG 3.4Å; L601-S603 PolarHBondContact O-N 3.36Å; S603-N801 WeakPolarHBondContact CB-ND2 3.08Å; S603-T803 WeakPolarHBondContact CB-OG1 3.47Å; S603-T803 PolarHBondContact OG-OG1 2.8Å
604	L	91.6	Very high	89.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.2	175.9	-60.6	177	0	0	0	112.3	L550 L553 P600 L601 Q602 Q606 L607 I608 A805 M806	L550-L604 HydrophobicContact CD2-CD1 4Å; L553-L604 HydrophobicContact CD1-CD1 3.8Å; P600-L604 PolarHBondContact O-N 3.24Å; L601-L604 CarbonylContact O-C 3.19Å; L601-L604 PolarHBondContact O-N 3.42Å; Q602-L604 PolarHBondContact O-N 3.47Å; L604-Q606 PolarHBondContact O-N 2.87Å; L604-Q606 VanDerWaalsContact O-N 3.07Å; L604-L607 HydrophobicContact CD2-CD1 4.01Å; L604-L607 WeakPolarHBondContact O-CB 3.33Å; L604-L607 PolarHBondContact O-N 3.09Å; L604-I608 PolarHBondContact O-N 3.29Å; L604-A805 HydrophobicContact CD1-CB 4.19Å; L604-A805 HydrophobicContact CG-CB 4.29Å; L604-M806 HydrophobicContact CD2-SD 4.15Å
605	Q	92.4	Very high	89.5	Confident	23 Å²	23	34.4 Å²	34.4	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-53.9	-33.6	-176.5	-178.6	61	18.1	0	0	112.8	L601 Q602 L607 I608 Q609 G661 L663	L601-Q605 PolarHBondContact O-N 2.85Å; Q602-Q605 WeakPolarHBondContact O-CB 3.08Å; Q602-Q605 PolarHBondContact O-N 2.78Å; Q605-L607 VanDerWaalsContact C-N 3.31Å; Q605-L607 PolarHBondContact O-N 3.32Å; Q605-I608 WeakPolarHBondContact O-CB 3.45Å; Q605-I608 PolarHBondContact O-N 2.79Å; Q605-Q609 WeakPolarHBondContact O-CB 3.2Å; Q605-Q609 PolarHBondContact O-N 3.33Å; Q605-G661 PolarHBondContact OE1-O 3.45Å; Q605-L663 PolarHBondContact NE2-O 2.87Å
606	Q	92.4	Very high	90	Very high	95 Å²	95	29.9 Å²	29.9	44%	0.444	16%	0.162	S	C	.	.	H	α-helix	trans	-66.7	-32.8	178.5	-58.4	-70.5	15.7	0	0	112.7	L604 W610 R773 I775	L604-Q606 PolarHBondContact O-N 2.87Å; L604-Q606 VanDerWaalsContact O-N 3.07Å; Q606-W610 WeakPolarHBondContact O-CB 3.18Å; Q606-W610 PolarHBondContact O-N 2.94Å; Q606-R773 WeakPolarHBondContact CB-O 3.21Å; Q606-I775 HydrophobicContact CB-CG2 3.95Å; Q606-I775 VanDerWaalsContact CD-CG2 3.41Å; Q606-I775 HydrophobicContact CG-CG2 3.4Å; Q606-I775 VanDerWaalsContact CG-CG2 3.4Å
607	L	94.8	Very high	90.5	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-73.6	-36.9	173.7	-54.6	-176.1	0	0	0	110.9	I546 L604 Q605 W610 V611 W809	I546-L607 HydrophobicContact CD1-CB 4.2Å; I546-L607 HydrophobicContact CD1-CD2 4.3Å; I546-L607 HydrophobicContact CG1-CB 4.16Å; I546-L607 HydrophobicContact CG1-CD1 4.39Å; I546-L607 HydrophobicContact CG1-CD2 4.28Å; I546-L607 HydrophobicContact CG2-CB 4.33Å; L604-L607 HydrophobicContact CD2-CD1 4.01Å; L604-L607 WeakPolarHBondContact O-CB 3.33Å; L604-L607 PolarHBondContact O-N 3.09Å; Q605-L607 VanDerWaalsContact C-N 3.31Å; Q605-L607 PolarHBondContact O-N 3.32Å; L607-W610 PolarHBondContact O-N 3.08Å; L607-V611 WeakPolarHBondContact O-CG2 3.42Å; L607-V611 PolarHBondContact O-N 3.29Å; L607-W809 HydrophobicContact CD1-CD2 3.84Å; L607-W809 HydrophobicContact CD1-CE3 4.02Å; L607-W809 HydrophobicContact CD1-CG 4.3Å; L607-W809 HydrophobicContact CD1-CH2 4.3Å; L607-W809 HydrophobicContact CD1-CZ2 4.16Å; L607-W809 HydrophobicContact CD1-CZ3 4.23Å; L607-W809 HydrophobicContact CD2-CZ2 3.98Å
608	I	95.3	Very high	91.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-46.6	174.7	-68	170.7	0	0	0	110.5	L550 L604 Q605 W610 V611 G612 I652 W655 C662 P664	L550-I608 HydrophobicContact CD1-CG1 4.48Å; L604-I608 PolarHBondContact O-N 3.29Å; Q605-I608 WeakPolarHBondContact O-CB 3.45Å; Q605-I608 PolarHBondContact O-N 2.79Å; I608-W610 VanDerWaalsContact C-N 3.31Å; I608-W610 PolarHBondContact O-N 3.49Å; I608-V611 PolarHBondContact O-N 3.09Å; I608-V611 VanDerWaalsContact O-N 3.17Å; I608-G612 PolarHBondContact O-N 3.11Å; I608-I652 HydrophobicContact CG1-CG1 4.37Å; I608-I652 HydrophobicContact CG2-CD1 3.91Å; I608-I652 HydrophobicContact CG2-CG1 3.93Å; I608-I652 HydrophobicContact CG2-CG2 3.79Å; I608-W655 HydrophobicContact CD1-CE3 4.44Å; I608-C662 WeakPolarHBondContact CG2-O 3.41Å; I608-P664 HydrophobicContact CG2-CG 3.87Å
609	Q	95.3	Very high	92.2	Very high	28 Å²	28	23 Å²	23	13%	0.131	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-47.2	175.5	-174.6	64.8	47.9	0	0	110.5	Q605 V611 G612 D613 T665	Q605-Q609 WeakPolarHBondContact O-CB 3.2Å; Q605-Q609 PolarHBondContact O-N 3.33Å; Q609-V611 VanDerWaalsContact C-N 3.27Å; Q609-V611 PolarHBondContact O-N 3.37Å; Q609-G612 PolarHBondContact O-N 2.97Å; Q609-G612 VanDerWaalsContact O-N 3.09Å; Q609-D613 PolarHBondContact NE2-OD1 3.47Å; Q609-D613 WeakPolarHBondContact O-CB 3.5Å; Q609-D613 PolarHBondContact O-N 3.19Å; Q609-T665 PolarHBondContact NE2-O 3.41Å
610	W	95.1	Very high	92.7	Very high	9 Å²	9	19.1 Å²	19.1	3%	0.034	10%	0.096	C	C	.	.	H	α-helix	trans	-56	-39.7	177.4	-179.7	89.9	0	0	0	113	A539 L542 L543 I546 Q606 L607 I608 F614 W721 C774	A539-W610 HydrophobicContact CB-CZ2 4.36Å; L542-W610 HydrophobicContact CB-CH2 4.23Å; L542-W610 HydrophobicContact CB-CZ2 4.08Å; L542-W610 HydrophobicContact CD2-CD2 4.06Å; L542-W610 HydrophobicContact CD2-CH2 4.25Å; L542-W610 HydrophobicContact CD2-CZ2 3.46Å; L542-W610 VanDerWaalsContact CD2-CZ2 3.46Å; L542-W610 HydrophobicContact CG-CD2 4.42Å; L542-W610 HydrophobicContact CG-CH2 4.06Å; L542-W610 HydrophobicContact CG-CZ2 3.78Å; L542-W610 HydrophobicContact CG-CZ3 4.48Å; L543-W610 HydrophobicContact CB-CH2 4Å; L543-W610 HydrophobicContact CB-CZ3 4.13Å; L543-W610 HydrophobicContact CD1-CZ3 4.21Å; I546-W610 HydrophobicContact CD1-CD2 3.89Å; I546-W610 HydrophobicContact CD1-CE3 3.3Å; I546-W610 HydrophobicContact CD1-CG 4.48Å; I546-W610 HydrophobicContact CD1-CZ3 3.72Å; Q606-W610 WeakPolarHBondContact O-CB 3.18Å; Q606-W610 PolarHBondContact O-N 2.94Å; L607-W610 PolarHBondContact O-N 3.08Å; I608-W610 VanDerWaalsContact C-N 3.31Å; I608-W610 PolarHBondContact O-N 3.49Å; W610-F614 AromaticContact CH2-CD1 3.97Å; W610-F614 HydrophobicContact CH2-CD1 3.97Å; W610-F614 HydrophobicContact CH2-CE1 4.43Å; W610-F614 HydrophobicContact CH2-CG 4.31Å; W610-F614 HydrophobicContact CZ2-CD1 4.4Å; W610-F614 HydrophobicContact CZ2-CG 4.34Å; W610-F614 HydrophobicContact CZ3-CD1 4.35Å; W610-F614 WeakPolarHBondContact O-CB 3.46Å; W610-F614 PolarHBondContact O-N 3.13Å; W610-W721 AromaticContact CD1-CE3 3.98Å; W610-W721 AromaticContact CE2-CH2 3.3Å; W610-W721 AromaticContact CE2-CZ2 3.84Å; W610-W721 AromaticContact CE2-CZ3 3.43Å; W610-W721 VanDerWaalsContact CE2-CZ3 3.43Å; W610-W721 HydrophobicContact CH2-CH2 4.37Å; W610-W721 HydrophobicContact CZ2-CE3 4.48Å; W610-W721 AromaticContact CZ2-CH2 3.15Å; W610-W721 HydrophobicContact CZ2-CH2 3.15Å; W610-W721 HydrophobicContact CZ2-CZ2 4.03Å; W610-W721 AromaticContact CZ2-CZ3 3.42Å; W610-W721 HydrophobicContact CZ2-CZ3 3.42Å; W610-W721 VanDerWaalsContact CZ2-CZ3 3.42Å; W610-W721 AromaticContact NE1-CD2 3.51Å; W610-W721 AromaticContact NE1-CE2 3.57Å; W610-W721 AromaticContact NE1-CE3 3.11Å; W610-W721 AromaticContact NE1-CH2 3.02Å; W610-W721 AromaticContact NE1-CZ2 3.31Å; W610-W721 VanDerWaalsContact NE1-CZ2 3.31Å; W610-W721 AromaticContact NE1-CZ3 2.89Å; W610-C774 HydrophobicContact CB-CB 4.09Å; W610-C774 HydrophobicContact CG-CB 4.37Å
611	V	96.6	Very high	92.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-47.6	176.4	172.6	0	0	0	0	110.8	I546 L607 I608 Q609 F614 V615 L645 M648 L649 I652	I546-V611 HydrophobicContact CG2-CG2 3.96Å; L607-V611 WeakPolarHBondContact O-CG2 3.42Å; L607-V611 PolarHBondContact O-N 3.29Å; I608-V611 PolarHBondContact O-N 3.09Å; I608-V611 VanDerWaalsContact O-N 3.17Å; Q609-V611 VanDerWaalsContact C-N 3.27Å; Q609-V611 PolarHBondContact O-N 3.37Å; V611-F614 PolarHBondContact O-N 3.13Å; V611-V615 WeakPolarHBondContact O-CG2 3.42Å; V611-V615 PolarHBondContact O-N 2.53Å; V611-L645 HydrophobicContact CG1-CD2 4.27Å; V611-M648 HydrophobicContact CG1-CB 3.78Å; V611-M648 HydrophobicContact CG2-CB 4.45Å; V611-L649 HydrophobicContact CG1-CD2 4.22Å; V611-I652 HydrophobicContact CB-CD1 4.1Å; V611-I652 HydrophobicContact CG1-CD1 4Å
612	G	95.9	Very high	93.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-48.4	178.8	0	0	0	0	0	112.4	I608 Q609 F614 V615 L616	I608-G612 PolarHBondContact O-N 3.11Å; Q609-G612 PolarHBondContact O-N 2.97Å; Q609-G612 VanDerWaalsContact O-N 3.09Å; G612-F614 VanDerWaalsContact C-N 3.33Å; G612-F614 PolarHBondContact O-N 3.22Å; G612-V615 PolarHBondContact O-N 2.63Å; G612-L616 PolarHBondContact O-N 3.49Å
613	D	94.5	Very high	93.3	Very high	44 Å²	44	15 Å²	15	24%	0.235	8%	0.078	C	C	.	.	H	α-helix	trans	-59.8	-42.7	177.9	-74.4	-7.3	0	0	0	111.8	Q609 L616 Y617 P717	Q609-D613 PolarHBondContact NE2-OD1 3.47Å; Q609-D613 WeakPolarHBondContact O-CB 3.5Å; Q609-D613 PolarHBondContact O-N 3.19Å; D613-L616 PolarHBondContact O-N 3.03Å; D613-Y617 VanDerWaalsContact O-CB 3.31Å; D613-Y617 WeakPolarHBondContact O-CB 3.39Å; D613-Y617 PolarHBondContact O-N 3.5Å; D613-P717 HydrophobicContact CB-CB 4.35Å; D613-P717 HydrophobicContact CB-CG 3.77Å; D613-P717 WeakPolarHBondContact O-CG 3.36Å
614	F	94.5	Very high	92.9	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-40.3	179.6	-173.2	-125.5	0	0	0	112	A539 W610 V611 G612 Y617 L618 F635 L645 M719 W721	A539-F614 HydrophobicContact CB-CE1 4.42Å; A539-F614 HydrophobicContact CB-CE2 4.14Å; A539-F614 HydrophobicContact CB-CZ 3.83Å; W610-F614 AromaticContact CH2-CD1 3.97Å; W610-F614 HydrophobicContact CH2-CD1 3.97Å; W610-F614 HydrophobicContact CH2-CE1 4.43Å; W610-F614 HydrophobicContact CH2-CG 4.31Å; W610-F614 HydrophobicContact CZ2-CD1 4.4Å; W610-F614 HydrophobicContact CZ2-CG 4.34Å; W610-F614 HydrophobicContact CZ3-CD1 4.35Å; W610-F614 WeakPolarHBondContact O-CB 3.46Å; W610-F614 PolarHBondContact O-N 3.13Å; V611-F614 PolarHBondContact O-N 3.13Å; G612-F614 VanDerWaalsContact C-N 3.33Å; G612-F614 PolarHBondContact O-N 3.22Å; F614-Y617 HydrophobicContact CD2-CD1 4.45Å; F614-Y617 PolarHBondContact O-N 2.91Å; F614-L618 HydrophobicContact CD1-CD1 4.01Å; F614-L618 HydrophobicContact CD2-CG 4.32Å; F614-L618 HydrophobicContact CE1-CD1 3.65Å; F614-L618 HydrophobicContact CE1-CG 4.24Å; F614-L618 HydrophobicContact CE2-CD1 4.36Å; F614-L618 HydrophobicContact CE2-CD2 4.01Å; F614-L618 HydrophobicContact CE2-CG 4.04Å; F614-L618 HydrophobicContact CZ-CD1 3.85Å; F614-L618 HydrophobicContact CZ-CD2 3.92Å; F614-L618 HydrophobicContact CZ-CG 4Å; F614-L618 WeakPolarHBondContact O-CB 3.1Å; F614-L618 VanDerWaalsContact O-CG 3.27Å; F614-L618 WeakPolarHBondContact O-CG 3.49Å; F614-L618 PolarHBondContact O-N 2.93Å; F614-F635 AromaticContact CE1-CD1 3.91Å; F614-F635 HydrophobicContact CE1-CD1 3.91Å; F614-F635 HydrophobicContact CE1-CD2 4.36Å; F614-F635 AromaticContact CE1-CE1 3.63Å; F614-F635 HydrophobicContact CE1-CE1 3.63Å; F614-F635 HydrophobicContact CE1-CE2 4.07Å; F614-F635 HydrophobicContact CE1-CG 4.24Å; F614-F635 AromaticContact CE1-CZ 3.67Å; F614-F635 HydrophobicContact CE1-CZ 3.67Å; F614-F635 HydrophobicContact CZ-CD1 4.13Å; F614-F635 AromaticContact CZ-CD2 3.78Å; F614-F635 HydrophobicContact CZ-CD2 3.78Å; F614-F635 HydrophobicContact CZ-CE1 4.03Å; F614-F635 AromaticContact CZ-CE2 3.62Å; F614-F635 HydrophobicContact CZ-CE2 3.62Å; F614-F635 AromaticContact CZ-CG 3.98Å; F614-F635 HydrophobicContact CZ-CG 3.98Å; F614-F635 AromaticContact CZ-CZ 3.73Å; F614-F635 HydrophobicContact CZ-CZ 3.73Å; F614-L645 HydrophobicContact CD1-CD1 4.36Å; F614-L645 HydrophobicContact CD1-CD2 4.12Å; F614-L645 HydrophobicContact CE1-CD1 4.39Å; F614-M719 HydrophobicContact CD2-CE 4.19Å; F614-M719 HydrophobicContact CD2-SD 4.25Å; F614-M719 HydrophobicContact CE2-CE 3.91Å; F614-M719 HydrophobicContact CE2-SD 4.45Å; F614-W721 HydrophobicContact CB-CZ2 4.47Å; F614-W721 AromaticContact CD2-CH2 3.95Å; F614-W721 HydrophobicContact CD2-CH2 3.95Å; F614-W721 AromaticContact CD2-CZ2 3.6Å; F614-W721 HydrophobicContact CD2-CZ2 3.6Å; F614-W721 HydrophobicContact CE2-CH2 4.21Å; F614-W721 HydrophobicContact CE2-CZ2 4.15Å; F614-W721 HydrophobicContact CG-CH2 4.49Å; F614-W721 HydrophobicContact CG-CZ2 4.28Å
615	V	96.1	Very high	91.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-46.7	173.8	172.3	0	0	0	0	110.9	V611 G612 Y617 L618 L619 L645 L649 L679 L683	V611-V615 WeakPolarHBondContact O-CG2 3.42Å; V611-V615 PolarHBondContact O-N 2.53Å; G612-V615 PolarHBondContact O-N 2.63Å; V615-Y617 VanDerWaalsContact C-N 3.34Å; V615-Y617 PolarHBondContact O-N 3.4Å; V615-L618 PolarHBondContact O-N 3.3Å; V615-L619 HydrophobicContact CG1-CD1 3.76Å; V615-L619 HydrophobicContact CG1-CG 4.39Å; V615-L619 WeakPolarHBondContact O-CG 3.34Å; V615-L619 PolarHBondContact O-N 3.22Å; V615-L645 HydrophobicContact CG2-CB 4.1Å; V615-L645 HydrophobicContact CG2-CD1 4.18Å; V615-L645 HydrophobicContact CG2-CD2 3.93Å; V615-L645 HydrophobicContact CG2-CG 4.29Å; V615-L649 HydrophobicContact CG1-CD1 4.27Å; V615-L649 HydrophobicContact CG2-CD1 4.29Å; V615-L649 HydrophobicContact CG2-CD2 4.45Å; V615-L679 HydrophobicContact CG1-CB 4.07Å; V615-L679 HydrophobicContact CG1-CD2 4.47Å; V615-L683 HydrophobicContact CG1-CB 4.32Å; V615-L683 HydrophobicContact CG1-CD2 4.21Å; V615-L683 HydrophobicContact CG2-CD2 4.15Å
616	L	95.6	Very high	90.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-46.3	176.5	173.7	57.7	0	0	0	111.2	G612 D613 L618 L619 A620 F666 L679 L714 L715	G612-L616 PolarHBondContact O-N 3.49Å; D613-L616 PolarHBondContact O-N 3.03Å; L616-L618 PolarHBondContact O-N 3.48Å; L616-L619 PolarHBondContact O-N 3.42Å; L616-A620 WeakPolarHBondContact O-CB 2.68Å; L616-A620 PolarHBondContact O-N 2.87Å; L616-F666 HydrophobicContact CB-CE1 4.37Å; L616-F666 HydrophobicContact CD2-CD1 3.96Å; L616-F666 HydrophobicContact CD2-CE1 4.26Å; L616-L679 HydrophobicContact CB-CD1 4.19Å; L616-L679 HydrophobicContact CB-CD2 4.13Å; L616-L679 HydrophobicContact CD1-CD2 3.97Å; L616-L714 HydrophobicContact CD1-CB 4.04Å; L616-L714 HydrophobicContact CD1-CD1 3.85Å; L616-L714 HydrophobicContact CD2-CB 3.97Å; L616-L714 HydrophobicContact CD2-CD1 4.39Å; L616-L715 WeakPolarHBondContact CD2-O 3.5Å
617	Y	93.2	Very high	88.6	Confident	20 Å²	20	22.5 Å²	22.5	8%	0.078	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-45.3	177.1	172.4	-91.1	0	0	0	112.4	D613 F614 V615 N621 P631 V716 P717 M719	D613-Y617 VanDerWaalsContact O-CB 3.31Å; D613-Y617 WeakPolarHBondContact O-CB 3.39Å; D613-Y617 PolarHBondContact O-N 3.5Å; F614-Y617 HydrophobicContact CD2-CD1 4.45Å; F614-Y617 PolarHBondContact O-N 2.91Å; V615-Y617 VanDerWaalsContact C-N 3.34Å; V615-Y617 PolarHBondContact O-N 3.4Å; Y617-N621 VanDerWaalsContact CD2-ND2 3.31Å; Y617-N621 WeakPolarHBondContact CD2-ND2 3.45Å; Y617-N621 WeakPolarHBondContact CE2-ND2 3.28Å; Y617-N621 WeakPolarHBondContact O-CB 3.41Å; Y617-N621 PolarHBondContact O-N 3.46Å; Y617-N621 VanDerWaalsContact O-N 3.15Å; Y617-N621 PolarHBondContact O-ND2 3.48Å; Y617-P631 WeakPolarHBondContact CE1-O 3.3Å; Y617-P631 PolarHBondContact OH-O 3.01Å; Y617-V716 HydrophobicContact CD2-CG1 4.45Å; Y617-P717 WeakPolarHBondContact CD2-O 3.35Å; Y617-M719 HydrophobicContact CD1-CE 4.38Å; Y617-M719 HydrophobicContact CD1-CG 3.81Å; Y617-M719 HydrophobicContact CD1-SD 3.47Å; Y617-M719 WeakPolarHBondContact CD1-SD 3.38Å; Y617-M719 HydrophobicContact CD2-CG 3.59Å; Y617-M719 HydrophobicContact CD2-SD 3.99Å; Y617-M719 HydrophobicContact CE1-CE 4.21Å; Y617-M719 HydrophobicContact CE1-CG 3.42Å; Y617-M719 VanDerWaalsContact CE1-CG 3.42Å; Y617-M719 HydrophobicContact CE1-SD 3.62Å; Y617-M719 HydrophobicContact CE2-CB 4.31Å; Y617-M719 HydrophobicContact CE2-CG 3.17Å; Y617-M719 HydrophobicContact CE2-SD 4.11Å; Y617-M719 HydrophobicContact CG-CG 3.89Å; Y617-M719 HydrophobicContact CG-SD 3.68Å
618	L	92.4	Very high	86.8	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-49.8	179.3	-73.8	176.7	0	0	0	111.3	F614 V615 L616 N621 L622 G632 F635 L645	F614-L618 HydrophobicContact CD1-CD1 4.01Å; F614-L618 HydrophobicContact CD2-CG 4.32Å; F614-L618 HydrophobicContact CE1-CD1 3.65Å; F614-L618 HydrophobicContact CE1-CG 4.24Å; F614-L618 HydrophobicContact CE2-CD1 4.36Å; F614-L618 HydrophobicContact CE2-CD2 4.01Å; F614-L618 HydrophobicContact CE2-CG 4.04Å; F614-L618 HydrophobicContact CZ-CD1 3.85Å; F614-L618 HydrophobicContact CZ-CD2 3.92Å; F614-L618 HydrophobicContact CZ-CG 4Å; F614-L618 WeakPolarHBondContact O-CB 3.1Å; F614-L618 VanDerWaalsContact O-CG 3.27Å; F614-L618 WeakPolarHBondContact O-CG 3.49Å; F614-L618 PolarHBondContact O-N 2.93Å; V615-L618 PolarHBondContact O-N 3.3Å; L616-L618 PolarHBondContact O-N 3.48Å; L618-N621 PolarHBondContact O-N 3Å; L618-L622 PolarHBondContact O-N 3.22Å; L618-L622 VanDerWaalsContact O-N 3.11Å; L618-G632 VanDerWaalsContact CD2-CA 3.46Å; L618-F635 HydrophobicContact CD1-CB 4.11Å; L618-F635 HydrophobicContact CD1-CD1 4.41Å; L618-F635 HydrophobicContact CD1-CG 4.44Å; L618-F635 HydrophobicContact CD2-CB 3.81Å; L618-F635 HydrophobicContact CD2-CG 4.46Å; L618-L645 HydrophobicContact CD1-CD1 3.71Å
619	L	94.3	Very high	85.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-42.9	-178.3	-67.5	171.3	0	0	0	111.8	V615 L616 N621 L622 L679 L682 L683 L686 C707 L710	V615-L619 HydrophobicContact CG1-CD1 3.76Å; V615-L619 HydrophobicContact CG1-CG 4.39Å; V615-L619 WeakPolarHBondContact O-CG 3.34Å; V615-L619 PolarHBondContact O-N 3.22Å; L616-L619 PolarHBondContact O-N 3.42Å; L619-N621 PolarHBondContact O-N 3.37Å; L619-L622 VanDerWaalsContact O-CB 3.22Å; L619-L622 WeakPolarHBondContact O-CB 3.4Å; L619-L622 PolarHBondContact O-N 3.38Å; L619-L679 HydrophobicContact CD1-CD2 3.83Å; L619-L682 HydrophobicContact CD1-CB 3.75Å; L619-L682 HydrophobicContact CD1-CD1 4.5Å; L619-L682 HydrophobicContact CD2-CB 4.06Å; L619-L683 HydrophobicContact CD1-CB 4.43Å; L619-L686 HydrophobicContact CD2-CD2 4.13Å; L619-C707 WeakPolarHBondContact O-CB 3.47Å; L619-L710 HydrophobicContact CB-CD1 3.5Å
620	A	92.9	Very high	84	Confident	8 Å²	8	33.6 Å²	33.6	7%	0.066	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-24.1	177.3	0	0	0	0	0	113.2	L616 L710 P711 V716	L616-A620 WeakPolarHBondContact O-CB 2.68Å; L616-A620 PolarHBondContact O-N 2.87Å; A620-L710 HydrophobicContact CB-CB 4.38Å; A620-P711 HydrophobicContact CB-CG 4.4Å; A620-V716 HydrophobicContact CB-CB 4.41Å; A620-V716 HydrophobicContact CB-CG1 3.83Å; A620-V716 HydrophobicContact CB-CG2 3.61Å
621	N	89.1	Confident	83	Confident	24 Å²	24	33.7 Å²	33.7	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-94.3	-5.3	175	-76.3	-71.8	0	0	0	114.1	Y617 L618 L619 P623 N624	Y617-N621 VanDerWaalsContact CD2-ND2 3.31Å; Y617-N621 WeakPolarHBondContact CD2-ND2 3.45Å; Y617-N621 WeakPolarHBondContact CE2-ND2 3.28Å; Y617-N621 WeakPolarHBondContact O-CB 3.41Å; Y617-N621 PolarHBondContact O-N 3.46Å; Y617-N621 VanDerWaalsContact O-N 3.15Å; Y617-N621 PolarHBondContact O-ND2 3.48Å; L618-N621 PolarHBondContact O-N 3Å; L619-N621 PolarHBondContact O-N 3.37Å; N621-P623 VanDerWaalsContact C-CD 3.43Å; N621-P623 VanDerWaalsContact C-N 3.31Å; N621-N624 PolarHBondContact O-N 3.33Å
622	L	89.9	Confident	82.1	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-53	-42.8	177.5	-173.8	68.4	0	0	0	112.5	L618 L619 N624 Q625 M636 L686 P699 L703 C707	L618-L622 PolarHBondContact O-N 3.22Å; L618-L622 VanDerWaalsContact O-N 3.11Å; L619-L622 VanDerWaalsContact O-CB 3.22Å; L619-L622 WeakPolarHBondContact O-CB 3.4Å; L619-L622 PolarHBondContact O-N 3.38Å; L622-N624 PolarHBondContact O-N 3.23Å; L622-Q625 VanDerWaalsContact O-CG 3.26Å; L622-Q625 WeakPolarHBondContact O-CG 3.37Å; L622-Q625 PolarHBondContact O-NE2 3.09Å; L622-M636 HydrophobicContact CB-SD 4.11Å; L622-M636 HydrophobicContact CD1-CB 4.37Å; L622-M636 HydrophobicContact CD1-CG 4.29Å; L622-M636 HydrophobicContact CD1-SD 3.56Å; L622-M636 VanDerWaalsContact CD1-SD 3.56Å; L622-M636 HydrophobicContact CG-SD 4.46Å; L622-L686 HydrophobicContact CD1-CD1 3.81Å; L622-L686 HydrophobicContact CD1-CD2 4.28Å; L622-L686 HydrophobicContact CD2-CD1 4.17Å; L622-P699 HydrophobicContact CD1-CG 4.39Å; L622-P699 HydrophobicContact CD2-CB 4.47Å; L622-L703 HydrophobicContact CD2-CD2 4.07Å; L622-L703 HydrophobicContact CD2-CG 3.95Å; L622-C707 HydrophobicContact CB-CB 4.28Å; L622-C707 HydrophobicContact CD2-CB 4.41Å
623	P	88.4	Confident	81.3	Confident	37 Å²	37	36.8 Å²	36.8	24%	0.24	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.5	-18.1	179	-22.3	35.4	0	0	0	115.1	N621 Q625 I704 C707 C708	N621-P623 VanDerWaalsContact C-CD 3.43Å; N621-P623 VanDerWaalsContact C-N 3.31Å; P623-Q625 VanDerWaalsContact C-N 3.32Å; P623-Q625 PolarHBondContact O-N 2.62Å; P623-I704 HydrophobicContact CB-CG2 4.1Å; P623-I704 HydrophobicContact CG-CG2 4.35Å; P623-C707 HydrophobicContact CG-CB 4Å; P623-C708 WeakPolarHBondContact CB-SG 3.28Å; P623-C708 HydrophobicContact CG-CB 4.24Å; P623-C708 WeakPolarHBondContact CG-SG 3.34Å
624	N	80.9	Confident	80.5	Confident	79 Å²	79	36.1 Å²	36.1	42%	0.422	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-90.2	20.4	-171.6	-65.5	-42.6	0	0	0	113.8	N621 L622 G626 S627	N621-N624 PolarHBondContact O-N 3.33Å; L622-N624 PolarHBondContact O-N 3.23Å; N624-G626 PolarHBondContact O-N 3.3Å; N624-S627 PolarHBondContact O-N 3.2Å
625	Q	68.6	Low	80	Confident	52 Å²	52	36.2 Å²	36.2	24%	0.243	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22	-175.2	-60	-57.1	-57.7	0	0	114.7	L622 P623 S627 F633 M636	L622-Q625 VanDerWaalsContact O-CG 3.26Å; L622-Q625 WeakPolarHBondContact O-CG 3.37Å; L622-Q625 PolarHBondContact O-NE2 3.09Å; P623-Q625 VanDerWaalsContact C-N 3.32Å; P623-Q625 PolarHBondContact O-N 2.62Å; Q625-S627 VanDerWaalsContact C-N 3.34Å; Q625-S627 PolarHBondContact O-N 2.83Å; Q625-F633 HydrophobicContact CB-CE2 4.48Å; Q625-F633 VanDerWaalsContact OE1-CD2 3.25Å; Q625-M636 PolarHBondContact NE2-SD 3.45Å
626	G	59.2	Low	79.4	Confident	88 Å²	88	36.7 Å²	36.7	91%	0.907	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2	-176	0	0	0	0	0	115.8	N624	N624-G626 PolarHBondContact O-N 3.3Å
627	S	58.5	Low	78.9	Confident	72 Å²	72	42.9 Å²	42.9	50%	0.503	26%	0.255	S	S	.	.	S	Bend	trans	-99.4	174.3	-178.1	-161.1	0	0	0	0	112.6	N624 Q625 V629	N624-S627 PolarHBondContact O-N 3.2Å; Q625-S627 VanDerWaalsContact C-N 3.34Å; Q625-S627 PolarHBondContact O-N 2.83Å; S627-V629 PolarHBondContact O-N 2.91Å
628	A	57.5	Low	78.7	Confident	80 Å²	80	43.9 Å²	43.9	66%	0.661	26%	0.262	S	S	*	.	S	Bend	trans	-50.9	141.2	175.9	0	0	0	0	0	111.3	R630	A628-R630 WeakPolarHBondContact O-CG 3.43Å; A628-R630 PolarHBondContact O-N 2.82Å
629	V	63	Low	78.6	Confident	67 Å²	67	43.9 Å²	43.9	41%	0.406	26%	0.263	S	S	.	.			trans	-51.4	109.4	-173.5	-169.4	0	0	0	0	110.4	A532 S627 F633	A532-V629 HydrophobicContact CB-CB 4.04Å; A532-V629 HydrophobicContact CB-CG1 3.63Å; A532-V629 WeakPolarHBondContact CB-O 3.46Å; S627-V629 PolarHBondContact O-N 2.91Å; V629-F633 HydrophobicContact CG1-CB 4.12Å; V629-F633 HydrophobicContact CG1-CG 4.41Å
630	R	68.8	Low	78.5	Confident	116 Å²	116	46.5 Å²	46.5	44%	0.438	29%	0.285	S	S	.	.			trans	-94	155.2	174.1	-67.5	-174.4	-179.3	175.2	0.4	110.5	A628 G632 F633	A628-R630 WeakPolarHBondContact O-CG 3.43Å; A628-R630 PolarHBondContact O-N 2.82Å; R630-G632 PolarHBondContact O-N 3.34Å; R630-F633 WeakPolarHBondContact O-CB 3.25Å; R630-F633 PolarHBondContact O-N 3.32Å
631	P	73.4	Confident	78.5	Confident	11 Å²	11	46.2 Å²	46.2	7%	0.071	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	136.5	166.5	-23.5	34.2	0	0	0	110.3	C535 Y617 M719 L722 F760	C535-P631 HydrophobicContact CB-CB 4.04Å; C535-P631 HydrophobicContact CB-CG 4.2Å; Y617-P631 WeakPolarHBondContact CE1-O 3.3Å; Y617-P631 PolarHBondContact OH-O 3.01Å; P631-M719 HydrophobicContact CB-CE 4.29Å; P631-L722 HydrophobicContact CB-CD1 3.74Å; P631-L722 HydrophobicContact CG-CD1 4.11Å; P631-F760 HydrophobicContact CG-CE1 3.9Å; P631-F760 HydrophobicContact CG-CZ 4.18Å
632	G	76.5	Confident	78.8	Confident	1 Å²	1	45 Å²	45	1%	0.01	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-17.3	-175	0	0	0	0	0	114.5	D536 L618 R630 G634 F635 M636	D536-G632 WeakPolarHBondContact OD1-CA 3.47Å; D536-G632 PolarHBondContact OD1-N 3.28Å; L618-G632 VanDerWaalsContact CD2-CA 3.46Å; R630-G632 PolarHBondContact O-N 3.34Å; G632-G634 PolarHBondContact O-N 3.07Å; G632-F635 WeakPolarHBondContact O-CB 3.37Å; G632-F635 PolarHBondContact O-N 2.88Å; G632-M636 PolarHBondContact O-N 3.13Å
633	F	79.4	Confident	79.1	Confident	63 Å²	63	45.3 Å²	45.3	28%	0.276	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-49	-173.8	-175.6	-91.7	0	0	0	113.5	Q625 V629 R630 F635 M636	Q625-F633 HydrophobicContact CB-CE2 4.48Å; Q625-F633 VanDerWaalsContact OE1-CD2 3.25Å; V629-F633 HydrophobicContact CG1-CB 4.12Å; V629-F633 HydrophobicContact CG1-CG 4.41Å; R630-F633 WeakPolarHBondContact O-CB 3.25Å; R630-F633 PolarHBondContact O-N 3.32Å; F633-F635 PolarHBondContact O-N 3.22Å; F633-M636 HydrophobicContact CB-CE 4.46Å; F633-M636 HydrophobicContact CD2-CE 4.39Å; F633-M636 PolarHBondContact O-N 2.86Å
634	G	79.1	Confident	79.5	Confident	30 Å²	30	45.4 Å²	45.4	31%	0.309	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.5	-25.2	179.9	0	0	0	0	0	113.7	D536 G632 D638	D536-G634 WeakPolarHBondContact OD2-CA 3.11Å; D536-G634 PolarHBondContact OD2-N 3.08Å; G632-G634 PolarHBondContact O-N 3.07Å; G634-D638 WeakPolarHBondContact O-CB 3.31Å
635	F	82.9	Confident	80.3	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.013	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-69.9	-36.7	178.9	-95.6	-91.6	0	0	0	113.2	D536 A539 K540 L543 F614 L618 G632 F633 R637 D638 L642	D536-F635 HydrophobicContact CB-CD2 3.9Å; D536-F635 HydrophobicContact CB-CE2 4.11Å; D536-F635 WeakPolarHBondContact O-CE2 3.33Å; A539-F635 HydrophobicContact CB-CE2 3.69Å; A539-F635 HydrophobicContact CB-CZ 3.93Å; K540-F635 VanDerWaalsContact CA-CZ 3.48Å; K540-F635 HydrophobicContact CB-CE1 4.41Å; K540-F635 HydrophobicContact CB-CE2 4.16Å; K540-F635 HydrophobicContact CB-CZ 3.67Å; K540-F635 HydrophobicContact CG-CZ 4.46Å; K540-F635 VanDerWaalsContact N-CZ 3.31Å; L543-F635 HydrophobicContact CD2-CE1 3.99Å; F614-F635 AromaticContact CE1-CD1 3.91Å; F614-F635 HydrophobicContact CE1-CD1 3.91Å; F614-F635 HydrophobicContact CE1-CD2 4.36Å; F614-F635 AromaticContact CE1-CE1 3.63Å; F614-F635 HydrophobicContact CE1-CE1 3.63Å; F614-F635 HydrophobicContact CE1-CE2 4.07Å; F614-F635 HydrophobicContact CE1-CG 4.24Å; F614-F635 AromaticContact CE1-CZ 3.67Å; F614-F635 HydrophobicContact CE1-CZ 3.67Å; F614-F635 HydrophobicContact CZ-CD1 4.13Å; F614-F635 AromaticContact CZ-CD2 3.78Å; F614-F635 HydrophobicContact CZ-CD2 3.78Å; F614-F635 HydrophobicContact CZ-CE1 4.03Å; F614-F635 AromaticContact CZ-CE2 3.62Å; F614-F635 HydrophobicContact CZ-CE2 3.62Å; F614-F635 AromaticContact CZ-CG 3.98Å; F614-F635 HydrophobicContact CZ-CG 3.98Å; F614-F635 AromaticContact CZ-CZ 3.73Å; F614-F635 HydrophobicContact CZ-CZ 3.73Å; L618-F635 HydrophobicContact CD1-CB 4.11Å; L618-F635 HydrophobicContact CD1-CD1 4.41Å; L618-F635 HydrophobicContact CD1-CG 4.44Å; L618-F635 HydrophobicContact CD2-CB 3.81Å; L618-F635 HydrophobicContact CD2-CG 4.46Å; G632-F635 WeakPolarHBondContact O-CB 3.37Å; G632-F635 PolarHBondContact O-N 2.88Å; F633-F635 PolarHBondContact O-N 3.22Å; F635-R637 PolarHBondContact O-N 3.49Å; F635-R637 VanDerWaalsContact O-N 3.1Å; F635-D638 PolarHBondContact O-N 2.94Å; F635-D638 VanDerWaalsContact O-N 3.09Å; F635-L642 WeakPolarHBondContact O-CG 3.49Å
636	M	84.8	Confident	81.6	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.049	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.8	-14.7	-175.8	-68	-178.7	-77.8	0	0	113.1	L622 Q625 G632 F633 L686 S690	L622-M636 HydrophobicContact CB-SD 4.11Å; L622-M636 HydrophobicContact CD1-CB 4.37Å; L622-M636 HydrophobicContact CD1-CG 4.29Å; L622-M636 HydrophobicContact CD1-SD 3.56Å; L622-M636 VanDerWaalsContact CD1-SD 3.56Å; L622-M636 HydrophobicContact CG-SD 4.46Å; Q625-M636 PolarHBondContact NE2-SD 3.45Å; G632-M636 PolarHBondContact O-N 3.13Å; F633-M636 HydrophobicContact CB-CE 4.46Å; F633-M636 HydrophobicContact CD2-CE 4.39Å; F633-M636 PolarHBondContact O-N 2.86Å; M636-L686 HydrophobicContact CB-CD2 4.4Å; M636-L686 HydrophobicContact CG-CD2 4.31Å; M636-S690 PolarHBondContact O-OG 3.15Å
637	R	84.6	Confident	83.4	Confident	132 Å²	132	35.8 Å²	35.8	50%	0.498	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-113.7	5.3	178.4	-60.6	-179.1	174.7	-144.3	-15.7	113.1	F635 E698	F635-R637 PolarHBondContact O-N 3.49Å; F635-R637 VanDerWaalsContact O-N 3.1Å; R637-E698 IonicContact CZ-OE1 2.79Å; R637-E698 IonicContact NH1-OE1 3.85Å; R637-E698 IonicContact NH2-OE1 3.71Å; R637-E698 PolarHBondContact NH2-OE1 2.95Å; R637-E698 IonicContact NH2-OE2 2.96Å; R637-E698 PolarHBondContact NH2-OE2 2.82Å
638	D	88.2	Confident	85.3	Confident	40 Å²	40	32.3 Å²	32.3	21%	0.214	18%	0.182	C	C	.	.			trans	-105.7	88.7	-176.3	179.7	9.4	0	0	0	110	K540 G634 F635 A640 S641 L642	K540-D638 WeakPolarHBondContact CE-OD2 3.43Å; K540-D638 IonicContact NZ-OD1 2.7Å; K540-D638 PolarHBondContact NZ-OD1 3Å; K540-D638 IonicContact NZ-OD2 3.3Å; K540-D638 PolarHBondContact NZ-OD2 3.23Å; G634-D638 WeakPolarHBondContact O-CB 3.31Å; F635-D638 PolarHBondContact O-N 2.94Å; F635-D638 VanDerWaalsContact O-N 3.09Å; D638-A640 PolarHBondContact O-N 3Å; D638-S641 VanDerWaalsContact CG-OG 3.29Å; D638-S641 PolarHBondContact O-N 2.86Å; D638-S641 VanDerWaalsContact OD2-CB 3.31Å; D638-S641 WeakPolarHBondContact OD2-CB 3.39Å; D638-S641 PolarHBondContact OD2-OG 3.33Å; D638-L642 PolarHBondContact O-N 2.89Å
639	G	91.2	Very high	87.2	Confident	4 Å²	4	28.5 Å²	28.5	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-53	-37.8	-176.3	0	0	0	0	0	114.1	L642 G643 W687 S690	G639-L642 PolarHBondContact O-N 3.1Å; G639-G643 PolarHBondContact O-N 2.87Å; G639-W687 VanDerWaalsContact O-CD1 3.25Å; G639-W687 PolarHBondContact O-NE1 2.83Å; G639-S690 WeakPolarHBondContact CA-O 3.43Å; G639-S690 PolarHBondContact N-O 2.9Å
640	A	91.8	Very high	88.8	Confident	55 Å²	55	25.3 Å²	25.3	46%	0.455	13%	0.131	S	C	.	.	H	α-helix	trans	-64.7	-41.8	177.2	0	0	0	0	0	112.1	D638 M644	D638-A640 PolarHBondContact O-N 3Å; A640-M644 WeakPolarHBondContact O-CB 3.33Å; A640-M644 PolarHBondContact O-N 2.7Å
641	S	93.7	Very high	90	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-71.1	-41.1	177	-66.6	0	0	0	0	112.2	K540 D638 G643 M644 L645	K540-S641 WeakPolarHBondContact CD-OG 3.42Å; K540-S641 WeakPolarHBondContact CE-OG 3.09Å; K540-S641 PolarHBondContact NZ-OG 2.78Å; D638-S641 VanDerWaalsContact CG-OG 3.29Å; D638-S641 PolarHBondContact O-N 2.86Å; D638-S641 VanDerWaalsContact OD2-CB 3.31Å; D638-S641 WeakPolarHBondContact OD2-CB 3.39Å; D638-S641 PolarHBondContact OD2-OG 3.33Å; S641-G643 VanDerWaalsContact C-N 3.34Å; S641-M644 WeakPolarHBondContact O-CB 3.47Å; S641-M644 PolarHBondContact O-N 2.78Å; S641-L645 PolarHBondContact O-N 3.16Å
642	L	95.1	Very high	91.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-41.3	175.2	-66.5	174.5	0	0	0	111.4	F635 D638 G639 M644 L645 R646 L683 L686 W687	F635-L642 WeakPolarHBondContact O-CG 3.49Å; D638-L642 PolarHBondContact O-N 2.89Å; G639-L642 PolarHBondContact O-N 3.1Å; L642-M644 VanDerWaalsContact C-N 3.35Å; L642-M644 PolarHBondContact O-N 2.96Å; L642-L645 PolarHBondContact O-N 2.65Å; L642-R646 WeakPolarHBondContact O-CG 3.22Å; L642-R646 PolarHBondContact O-N 3.01Å; L642-L683 HydrophobicContact CD2-CD1 3.73Å; L642-L686 HydrophobicContact CD1-CD2 4.36Å; L642-L686 HydrophobicContact CD1-CG 4.02Å; L642-L686 HydrophobicContact CD2-CD2 4.11Å; L642-W687 HydrophobicContact CB-CB 4.07Å; L642-W687 HydrophobicContact CB-CG 4.39Å
643	G	95.6	Very high	91.9	Very high	10 Å²	10	20.5 Å²	20.5	10%	0.103	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-43.4	173.9	0	0	0	0	0	111.8	G639 S641 L645 R646 E647 W687	G639-G643 PolarHBondContact O-N 2.87Å; S641-G643 VanDerWaalsContact C-N 3.34Å; G643-L645 VanDerWaalsContact C-N 3.34Å; G643-L645 PolarHBondContact O-N 2.96Å; G643-R646 WeakPolarHBondContact O-CB 3.43Å; G643-R646 PolarHBondContact O-N 3.48Å; G643-R646 VanDerWaalsContact O-N 3.15Å; G643-E647 WeakPolarHBondContact O-CG 2.96Å; G643-E647 PolarHBondContact O-N 2.88Å; G643-W687 VanDerWaalsContact N-CD1 3.35Å
644	M	96.8	Very high	92.6	Very high	39 Å²	39	17.8 Å²	17.8	19%	0.192	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-39.2	175.3	-167.6	177.6	-54.2	0	0	112.5	L543 I544 S547 A640 S641 L642 E647 M648	L543-M644 HydrophobicContact CD1-CG 4.43Å; L543-M644 HydrophobicContact CD1-SD 4.5Å; L543-M644 HydrophobicContact CD2-CB 4.27Å; L543-M644 HydrophobicContact CD2-CG 4.37Å; L543-M644 HydrophobicContact CD2-SD 4.23Å; L543-M644 HydrophobicContact CG-CG 4.19Å; L543-M644 HydrophobicContact CG-SD 3.79Å; I544-M644 HydrophobicContact CG1-CE 4.08Å; I544-M644 HydrophobicContact CG1-SD 4.2Å; S547-M644 VanDerWaalsContact CB-SD 3.54Å; A640-M644 WeakPolarHBondContact O-CB 3.33Å; A640-M644 PolarHBondContact O-N 2.7Å; S641-M644 WeakPolarHBondContact O-CB 3.47Å; S641-M644 PolarHBondContact O-N 2.78Å; L642-M644 VanDerWaalsContact C-N 3.35Å; L642-M644 PolarHBondContact O-N 2.96Å; M644-E647 PolarHBondContact O-N 3.34Å; M644-M648 VanDerWaalsContact O-CG 3.32Å; M644-M648 WeakPolarHBondContact O-CG 3.34Å; M644-M648 PolarHBondContact O-N 2.97Å
645	L	97.5	Very high	93.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-41.6	173.5	-71.2	168.8	0	0	0	111.5	L543 V611 F614 V615 L618 S641 L642 G643 E647 M648 L649 L683	L543-L645 HydrophobicContact CD1-CD2 3.57Å; L543-L645 HydrophobicContact CD1-CG 4.28Å; L543-L645 HydrophobicContact CD2-CD2 3.83Å; L543-L645 HydrophobicContact CD2-CG 3.77Å; L543-L645 HydrophobicContact CG-CD2 4.33Å; V611-L645 HydrophobicContact CG1-CD2 4.27Å; F614-L645 HydrophobicContact CD1-CD1 4.36Å; F614-L645 HydrophobicContact CD1-CD2 4.12Å; F614-L645 HydrophobicContact CE1-CD1 4.39Å; V615-L645 HydrophobicContact CG2-CB 4.1Å; V615-L645 HydrophobicContact CG2-CD1 4.18Å; V615-L645 HydrophobicContact CG2-CD2 3.93Å; V615-L645 HydrophobicContact CG2-CG 4.29Å; L618-L645 HydrophobicContact CD1-CD1 3.71Å; S641-L645 PolarHBondContact O-N 3.16Å; L642-L645 PolarHBondContact O-N 2.65Å; G643-L645 VanDerWaalsContact C-N 3.34Å; G643-L645 PolarHBondContact O-N 2.96Å; L645-E647 PolarHBondContact O-N 2.93Å; L645-M648 PolarHBondContact O-N 3.26Å; L645-L649 WeakPolarHBondContact O-CG 3.48Å; L645-L649 PolarHBondContact O-N 3.17Å; L645-L683 HydrophobicContact CB-CD1 4.5Å; L645-L683 HydrophobicContact CB-CD2 3.72Å
646	R	96.8	Very high	93.6	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-47	175.1	-71.8	-177	65.6	-169	-7.6	111.9	N577 L642 G643 M648 L649 V650 F680 L683 T684 W687	N577-R646 PolarHBondContact O-NH2 2.81Å; L642-R646 WeakPolarHBondContact O-CG 3.22Å; L642-R646 PolarHBondContact O-N 3.01Å; G643-R646 WeakPolarHBondContact O-CB 3.43Å; G643-R646 PolarHBondContact O-N 3.48Å; G643-R646 VanDerWaalsContact O-N 3.15Å; R646-M648 VanDerWaalsContact C-N 3.28Å; R646-M648 PolarHBondContact O-N 3.25Å; R646-L649 PolarHBondContact O-N 3.38Å; R646-V650 WeakPolarHBondContact O-CG2 3.45Å; R646-V650 PolarHBondContact O-N 3.16Å; R646-F680 HydrophobicContact CB-CE2 4.06Å; R646-F680 HydrophobicContact CG-CE2 4.3Å; R646-L683 HydrophobicContact CB-CD2 4.43Å; R646-L683 HydrophobicContact CG-CD2 3.65Å; R646-L683 HydrophobicContact CG-CG 3.83Å; R646-T684 PolarHBondContact NE-OG1 2.81Å; R646-W687 VanDerWaalsContact NH1-CD2 3.3Å
647	E	97	Very high	93.9	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-43.5	175.9	-67.5	162.1	-166.4	0	0	111.5	K551 L570 T571 C574 G643 M644 L645 V650 M651	K551-E647 VanDerWaalsContact CE-OE2 3.25Å; K551-E647 WeakPolarHBondContact CE-OE2 3.42Å; K551-E647 IonicContact NZ-OE2 3.98Å; K551-E647 PolarHBondContact NZ-OE2 3.38Å; L570-E647 HydrophobicContact CD2-CB 4.26Å; L570-E647 HydrophobicContact CG-CB 4.36Å; T571-E647 WeakPolarHBondContact CG2-OE1 3.49Å; C574-E647 HydrophobicContact CB-CG 3.66Å; G643-E647 WeakPolarHBondContact O-CG 2.96Å; G643-E647 PolarHBondContact O-N 2.88Å; M644-E647 PolarHBondContact O-N 3.34Å; L645-E647 PolarHBondContact O-N 2.93Å; E647-V650 PolarHBondContact O-N 3.06Å; E647-M651 WeakPolarHBondContact O-CB 3.14Å; E647-M651 PolarHBondContact O-N 3.23Å
648	M	97.6	Very high	94	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-45	177.9	-66.2	-53.6	93.5	0	0	111.6	L543 S547 L550 K551 V611 M644 L645 R646 V650 M651 I652	L543-M648 HydrophobicContact CD1-CG 4.34Å; S547-M648 VanDerWaalsContact CA-SD 3.54Å; S547-M648 WeakPolarHBondContact OG-CE 3.4Å; L550-M648 HydrophobicContact CB-SD 4.41Å; L550-M648 HydrophobicContact CD1-SD 4.05Å; K551-M648 HydrophobicContact CG-CE 4.2Å; V611-M648 HydrophobicContact CG1-CB 3.78Å; V611-M648 HydrophobicContact CG2-CB 4.45Å; M644-M648 VanDerWaalsContact O-CG 3.32Å; M644-M648 WeakPolarHBondContact O-CG 3.34Å; M644-M648 PolarHBondContact O-N 2.97Å; L645-M648 PolarHBondContact O-N 3.26Å; R646-M648 VanDerWaalsContact C-N 3.28Å; R646-M648 PolarHBondContact O-N 3.25Å; M648-V650 PolarHBondContact O-N 3.18Å; M648-M651 HydrophobicContact CE-CE 3.51Å; M648-M651 PolarHBondContact O-N 2.81Å; M648-M651 HydrophobicContact SD-CE 3.51Å; M648-M651 VanDerWaalsContact SD-CE 3.51Å; M648-I652 HydrophobicContact CB-CD1 4.37Å; M648-I652 WeakPolarHBondContact O-CB 3.33Å; M648-I652 WeakPolarHBondContact O-CD1 3.5Å; M648-I652 WeakPolarHBondContact O-CG1 3.3Å; M648-I652 PolarHBondContact O-N 2.98Å
649	L	97.6	Very high	94	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-41.3	177.9	-67.6	-175.6	0	0	0	112.3	I582 V611 V615 L645 R646 I652 R653 M676 F680 L683	I582-L649 HydrophobicContact CD1-CB 4.45Å; V611-L649 HydrophobicContact CG1-CD2 4.22Å; V615-L649 HydrophobicContact CG1-CD1 4.27Å; V615-L649 HydrophobicContact CG2-CD1 4.29Å; V615-L649 HydrophobicContact CG2-CD2 4.45Å; L645-L649 WeakPolarHBondContact O-CG 3.48Å; L645-L649 PolarHBondContact O-N 3.17Å; R646-L649 PolarHBondContact O-N 3.38Å; L649-I652 PolarHBondContact O-N 3.34Å; L649-R653 WeakPolarHBondContact O-CB 3.4Å; L649-R653 PolarHBondContact O-N 2.78Å; L649-M676 HydrophobicContact CB-CE 4.26Å; L649-M676 HydrophobicContact CD2-CE 3.75Å; L649-M676 HydrophobicContact CD2-SD 4.08Å; L649-F680 HydrophobicContact CB-CD2 4.03Å; L649-F680 HydrophobicContact CD1-CB 4.19Å; L649-F680 HydrophobicContact CD1-CD2 4.23Å; L649-L683 HydrophobicContact CD1-CD2 3.73Å
650	V	96.4	Very high	93.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-48.6	175.7	171.5	0	0	0	0	110.8	L570 I582 V585 M586 L589 R646 E647 M648 R653 I654 F680	L570-V650 HydrophobicContact CD1-CB 4.4Å; L570-V650 HydrophobicContact CD1-CG1 3.94Å; I582-V650 HydrophobicContact CG1-CG2 4.15Å; V585-V650 HydrophobicContact CG1-CG2 4.14Å; M586-V650 HydrophobicContact CG-CG1 3.94Å; L589-V650 HydrophobicContact CD1-CG1 3.55Å; R646-V650 WeakPolarHBondContact O-CG2 3.45Å; R646-V650 PolarHBondContact O-N 3.16Å; E647-V650 PolarHBondContact O-N 3.06Å; M648-V650 PolarHBondContact O-N 3.18Å; V650-R653 PolarHBondContact O-N 3.43Å; V650-I654 HydrophobicContact CG1-CD1 4.17Å; V650-I654 WeakPolarHBondContact O-CG1 3.43Å; V650-I654 PolarHBondContact O-N 3.33Å; V650-F680 HydrophobicContact CG2-CD2 4.35Å; V650-F680 HydrophobicContact CG2-CE2 3.53Å; V650-F680 HydrophobicContact CG2-CZ 3.95Å
651	M	94.9	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-43.4	179.5	-175	170.2	54.6	0	0	112.1	L550 L554 L570 F594 E647 M648 R653 I654 W655	L550-M651 HydrophobicContact CB-CE 3.32Å; L550-M651 HydrophobicContact CB-SD 4.3Å; L550-M651 HydrophobicContact CD1-CE 4.02Å; L550-M651 HydrophobicContact CG-CE 4.32Å; L554-M651 HydrophobicContact CD1-SD 4.03Å; L554-M651 HydrophobicContact CD2-SD 4.08Å; L554-M651 HydrophobicContact CG-SD 4.24Å; L570-M651 HydrophobicContact CD2-CB 4.2Å; L570-M651 HydrophobicContact CD2-SD 4.33Å; F594-M651 HydrophobicContact CD1-CG 4.11Å; F594-M651 HydrophobicContact CE1-CB 4.46Å; F594-M651 HydrophobicContact CE1-CG 4.15Å; E647-M651 WeakPolarHBondContact O-CB 3.14Å; E647-M651 PolarHBondContact O-N 3.23Å; M648-M651 HydrophobicContact CE-CE 3.51Å; M648-M651 PolarHBondContact O-N 2.81Å; M648-M651 HydrophobicContact SD-CE 3.51Å; M648-M651 VanDerWaalsContact SD-CE 3.51Å; M651-R653 VanDerWaalsContact C-N 3.35Å; M651-R653 PolarHBondContact O-N 2.72Å; M651-I654 PolarHBondContact O-N 3.24Å; M651-W655 HydrophobicContact CE-CH2 3.91Å; M651-W655 HydrophobicContact CE-CZ3 4.2Å; M651-W655 HydrophobicContact CG-CD2 4.16Å; M651-W655 HydrophobicContact CG-CE3 4.16Å; M651-W655 HydrophobicContact CG-CH2 3.61Å; M651-W655 HydrophobicContact CG-CZ2 3.57Å; M651-W655 HydrophobicContact CG-CZ3 3.9Å; M651-W655 PolarHBondContact O-N 3.32Å; M651-W655 VanDerWaalsContact O-N 3.09Å; M651-W655 HydrophobicContact SD-CH2 3.53Å; M651-W655 VanDerWaalsContact SD-CH2 3.53Å; M651-W655 HydrophobicContact SD-CZ2 3.71Å; M651-W655 HydrophobicContact SD-CZ3 4.24Å
652	I	95.2	Very high	93.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-40.9	176.1	-70.4	162	0	0	0	110.9	I608 V611 M648 L649 W655 G656 L663 P664 M676	I608-I652 HydrophobicContact CG1-CG1 4.37Å; I608-I652 HydrophobicContact CG2-CD1 3.91Å; I608-I652 HydrophobicContact CG2-CG1 3.93Å; I608-I652 HydrophobicContact CG2-CG2 3.79Å; V611-I652 HydrophobicContact CB-CD1 4.1Å; V611-I652 HydrophobicContact CG1-CD1 4Å; M648-I652 HydrophobicContact CB-CD1 4.37Å; M648-I652 WeakPolarHBondContact O-CB 3.33Å; M648-I652 WeakPolarHBondContact O-CD1 3.5Å; M648-I652 WeakPolarHBondContact O-CG1 3.3Å; M648-I652 PolarHBondContact O-N 2.98Å; L649-I652 PolarHBondContact O-N 3.34Å; I652-W655 PolarHBondContact O-N 2.87Å; I652-G656 PolarHBondContact O-N 2.83Å; I652-L663 HydrophobicContact CG2-CD2 4.4Å; I652-P664 HydrophobicContact CG2-CG 4.11Å; I652-M676 HydrophobicContact CB-CE 4.27Å; I652-M676 HydrophobicContact CG2-CE 3.83Å
653	R	94.4	Very high	93.1	Very high	27 Å²	27	27.9 Å²	27.9	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-45.2	176.5	-180	64.9	169.4	-162.9	-6.4	111.6	I582 D583 M586 L649 V650 M651 W655 G656 L657 D674	I582-R653 HydrophobicContact CD1-CB 3.57Å; I582-R653 HydrophobicContact CD1-CG 3.86Å; I582-R653 HydrophobicContact CG1-CB 4.28Å; I582-R653 HydrophobicContact CG1-CG 4.23Å; I582-R653 HydrophobicContact CG2-CG 4.24Å; D583-R653 IonicContact OD1-CZ 2.88Å; D583-R653 IonicContact OD1-NE 3.25Å; D583-R653 PolarHBondContact OD1-NE 3.48Å; D583-R653 IonicContact OD1-NH2 2.68Å; D583-R653 IonicContact OD2-NH2 3.9Å; D583-R653 PolarHBondContact OD2-NH2 2.79Å; M586-R653 HydrophobicContact CE-CG 4.07Å; M586-R653 HydrophobicContact SD-CB 3.85Å; M586-R653 HydrophobicContact SD-CG 3.32Å; M586-R653 WeakPolarHBondContact SD-CG 3.4Å; L649-R653 WeakPolarHBondContact O-CB 3.4Å; L649-R653 PolarHBondContact O-N 2.78Å; V650-R653 PolarHBondContact O-N 3.43Å; M651-R653 VanDerWaalsContact C-N 3.35Å; M651-R653 PolarHBondContact O-N 2.72Å; R653-W655 VanDerWaalsContact C-N 3.33Å; R653-W655 PolarHBondContact O-N 3.02Å; R653-G656 PolarHBondContact O-N 3.31Å; R653-L657 WeakPolarHBondContact O-CG 3.48Å; R653-L657 PolarHBondContact O-N 3.07Å; R653-D674 IonicContact CZ-OD2 3.36Å; R653-D674 VanDerWaalsContact CZ-OD2 3.25Å; R653-D674 IonicContact NH1-OD1 3.3Å; R653-D674 PolarHBondContact NH1-OD1 2.88Å; R653-D674 IonicContact NH1-OD2 2.76Å; R653-D674 PolarHBondContact NH1-OD2 2.87Å; R653-D674 IonicContact NH2-OD2 3.92Å; R653-D674 PolarHBondContact NH2-OD2 2.81Å
654	I	93.1	Very high	93	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-47.7	174.9	-65.8	163.2	0	0	0	110.5	M586 L589 F594 V650 M651 G656 L657 L658	M586-I654 HydrophobicContact CE-CB 4.42Å; M586-I654 HydrophobicContact CE-CG1 3.61Å; M586-I654 HydrophobicContact CG-CD1 4.25Å; M586-I654 HydrophobicContact CG-CG1 3.87Å; M586-I654 HydrophobicContact SD-CG1 3.96Å; L589-I654 HydrophobicContact CD1-CD1 3.78Å; F594-I654 HydrophobicContact CB-CG2 3.62Å; F594-I654 HydrophobicContact CD1-CD1 3.82Å; F594-I654 HydrophobicContact CD1-CG2 4.41Å; F594-I654 HydrophobicContact CD2-CD1 4.29Å; F594-I654 HydrophobicContact CE1-CD1 3.89Å; F594-I654 HydrophobicContact CE2-CD1 4.36Å; F594-I654 HydrophobicContact CG-CD1 4.04Å; F594-I654 HydrophobicContact CG-CG2 4.06Å; F594-I654 HydrophobicContact CZ-CD1 4.17Å; V650-I654 HydrophobicContact CG1-CD1 4.17Å; V650-I654 WeakPolarHBondContact O-CG1 3.43Å; V650-I654 PolarHBondContact O-N 3.33Å; M651-I654 PolarHBondContact O-N 3.24Å; I654-G656 VanDerWaalsContact C-N 3.33Å; I654-G656 PolarHBondContact O-N 3.06Å; I654-L657 PolarHBondContact O-N 3.37Å; I654-L658 PolarHBondContact O-N 2.83Å
655	W	92.6	Very high	92.9	Very high	1 Å²	1	31 Å²	31	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-36	177.5	-67.1	-26.6	0	0	0	113.2	L550 L553 L554 F594 L596 L601 I608 M651 I652 R653 L658 K659 C662	L550-W655 HydrophobicContact CB-CH2 3.95Å; L550-W655 HydrophobicContact CB-CZ3 4.33Å; L550-W655 HydrophobicContact CD1-CZ3 4.25Å; L550-W655 HydrophobicContact CD2-CH2 4.13Å; L550-W655 HydrophobicContact CD2-CZ3 4Å; L550-W655 HydrophobicContact CG-CH2 4.47Å; L550-W655 HydrophobicContact CG-CZ3 4.42Å; L553-W655 HydrophobicContact CD1-CH2 4.41Å; L554-W655 HydrophobicContact CD2-CZ2 3.97Å; F594-W655 VanDerWaalsContact O-CD1 3.28Å; F594-W655 PolarHBondContact O-NE1 2.88Å; L596-W655 HydrophobicContact CD1-CH2 4.41Å; L596-W655 HydrophobicContact CD1-CZ2 3.5Å; L596-W655 VanDerWaalsContact CD1-CZ2 3.5Å; L601-W655 HydrophobicContact CD1-CB 4.03Å; L601-W655 HydrophobicContact CD1-CD2 3.94Å; L601-W655 HydrophobicContact CD1-CE3 4.48Å; L601-W655 HydrophobicContact CD1-CG 3.73Å; L601-W655 HydrophobicContact CD2-CD2 3.68Å; L601-W655 HydrophobicContact CD2-CE3 3.55Å; L601-W655 HydrophobicContact CD2-CG 4.37Å; L601-W655 HydrophobicContact CD2-CH2 3.85Å; L601-W655 HydrophobicContact CD2-CZ2 3.99Å; L601-W655 HydrophobicContact CD2-CZ3 3.64Å; L601-W655 HydrophobicContact CG-CD2 4.49Å; I608-W655 HydrophobicContact CD1-CE3 4.44Å; M651-W655 HydrophobicContact CE-CH2 3.91Å; M651-W655 HydrophobicContact CE-CZ3 4.2Å; M651-W655 HydrophobicContact CG-CD2 4.16Å; M651-W655 HydrophobicContact CG-CE3 4.16Å; M651-W655 HydrophobicContact CG-CH2 3.61Å; M651-W655 HydrophobicContact CG-CZ2 3.57Å; M651-W655 HydrophobicContact CG-CZ3 3.9Å; M651-W655 PolarHBondContact O-N 3.32Å; M651-W655 VanDerWaalsContact O-N 3.09Å; M651-W655 HydrophobicContact SD-CH2 3.53Å; M651-W655 VanDerWaalsContact SD-CH2 3.53Å; M651-W655 HydrophobicContact SD-CZ2 3.71Å; M651-W655 HydrophobicContact SD-CZ3 4.24Å; I652-W655 PolarHBondContact O-N 2.87Å; R653-W655 VanDerWaalsContact C-N 3.33Å; R653-W655 PolarHBondContact O-N 3.02Å; W655-L658 PolarHBondContact O-N 2.9Å; W655-K659 PolarHBondContact O-N 3.04Å; W655-C662 HydrophobicContact CB-CB 4.25Å
656	G	91.6	Very high	92.7	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-37.9	175.2	0	0	0	0	0	113.7	I652 R653 I654 L658 K659 P660	I652-G656 PolarHBondContact O-N 2.83Å; R653-G656 PolarHBondContact O-N 3.31Å; I654-G656 VanDerWaalsContact C-N 3.33Å; I654-G656 PolarHBondContact O-N 3.06Å; G656-L658 VanDerWaalsContact C-N 3.32Å; G656-K659 CarbonylContact O-C 3.26Å; G656-K659 PolarHBondContact O-N 2.94Å; G656-P660 WeakPolarHBondContact O-CA 3.49Å; G656-P660 VanDerWaalsContact O-N 3.14Å
657	L	89.9	Confident	92.5	Very high	113 Å²	113	36.7 Å²	36.7	59%	0.592	21%	0.211	S	C	*	.	H	α-helix	trans	-65.7	-35.8	174.2	-67.2	-176.9	0	0	0	112.2	M586 R653 I654	M586-L657 HydrophobicContact CE-CD1 3.4Å; M586-L657 HydrophobicContact CE-CG 4.4Å; R653-L657 WeakPolarHBondContact O-CG 3.48Å; R653-L657 PolarHBondContact O-N 3.07Å; I654-L657 PolarHBondContact O-N 3.37Å
658	L	86.7	Confident	92.1	Very high	94 Å²	94	37.6 Å²	37.6	49%	0.492	22%	0.221	S	C	.	.	H	α-helix	trans	-76.2	-38.8	176	-62.8	175.3	0	0	0	111.7	V595 I654 W655 G656	V595-L658 HydrophobicContact CG2-CD1 4.31Å; I654-L658 PolarHBondContact O-N 2.83Å; W655-L658 PolarHBondContact O-N 2.9Å; G656-L658 VanDerWaalsContact C-N 3.32Å
659	K	88.3	Confident	91.7	Very high	83 Å²	83	44.6 Å²	44.6	36%	0.361	26%	0.256	S	S	.	.			trans	-146.2	100.7	-176.6	-68	-169.4	179.4	174.8	0	110.4	W655 G656 G661 C662	W655-K659 PolarHBondContact O-N 3.04Å; G656-K659 CarbonylContact O-C 3.26Å; G656-K659 PolarHBondContact O-N 2.94Å; K659-G661 PolarHBondContact O-N 2.78Å; K659-C662 WeakPolarHBondContact O-CB 3.33Å; K659-C662 PolarHBondContact O-N 3.14Å
660	P	88	Confident	91.2	Very high	100 Å²	100	47.5 Å²	47.5	65%	0.649	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31.1	-176.6	-30.2	36.1	0	0	0	114.9	G656 C662 L663	G656-P660 WeakPolarHBondContact O-CA 3.49Å; G656-P660 VanDerWaalsContact O-N 3.14Å; P660-C662 PolarHBondContact O-N 2.95Å; P660-C662 VanDerWaalsContact O-N 3.09Å; P660-L663 WeakPolarHBondContact O-CB 3.18Å; P660-L663 PolarHBondContact O-N 3.28Å; P660-L663 VanDerWaalsContact O-N 3.13Å
661	G	86.4	Confident	90.3	Very high	43 Å²	43	55.5 Å²	55.5	44%	0.443	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.1	-6.3	177.3	0	0	0	0	0	115.7	Q602 Q605 K659	Q602-G661 PolarHBondContact OE1-O 3.48Å; Q605-G661 PolarHBondContact OE1-O 3.45Å; K659-G661 PolarHBondContact O-N 2.78Å
662	C	86.9	Confident	89.7	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-92.3	-0.1	174.7	-60.1	0	0	0	0	113.1	L601 I608 W655 K659 P660	L601-C662 VanDerWaalsContact CB-SG 3.6Å; I608-C662 WeakPolarHBondContact CG2-O 3.41Å; W655-C662 HydrophobicContact CB-CB 4.25Å; K659-C662 WeakPolarHBondContact O-CB 3.33Å; K659-C662 PolarHBondContact O-N 3.14Å; P660-C662 PolarHBondContact O-N 2.95Å; P660-C662 VanDerWaalsContact O-N 3.09Å
663	L	92.1	Very high	89.3	Confident	47 Å²	47	65.3 Å²	65.3	25%	0.246	37%	0.37	C	S	.	.	S	Bend	trans	-81.2	144.2	175.7	-70.4	172.4	0	0	0	110.8	Q605 I652 P660 T665 M676	Q605-L663 PolarHBondContact NE2-O 2.87Å; I652-L663 HydrophobicContact CG2-CD2 4.4Å; P660-L663 WeakPolarHBondContact O-CB 3.18Å; P660-L663 PolarHBondContact O-N 3.28Å; P660-L663 VanDerWaalsContact O-N 3.13Å; L663-T665 PolarHBondContact O-N 3.49Å; L663-M676 HydrophobicContact CD2-CG 4.38Å
664	P	94.1	Very high	89.1	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.058	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-56.6	138.5	164.9	-20.4	31.1	0	0	0	109.9	I608 I652 F666 M676	I608-P664 HydrophobicContact CG2-CG 3.87Å; I652-P664 HydrophobicContact CG2-CG 4.11Å; P664-F666 HydrophobicContact CB-CE2 3.81Å; P664-F666 HydrophobicContact CB-CZ 3.81Å; P664-F666 HydrophobicContact CG-CZ 4.5Å; P664-M676 HydrophobicContact CG-SD 3.94Å
665	T	93.1	Very high	89.2	Confident	106 Å²	106	67 Å²	67	65%	0.65	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-93.7	121.5	175.9	-55.3	0	0	0	0	108.8	Q609 L663	Q609-T665 PolarHBondContact NE2-O 3.41Å; L663-T665 PolarHBondContact O-N 3.49Å
666	F	93.3	Very high	89.3	Confident	31 Å²	31	67.4 Å²	67.4	14%	0.136	38%	0.384	C	S	.	.			trans	-109.4	142.4	174.4	-59.6	-77.1	0	0	0	109.8	L616 P664 A668 S675 M676 L679 L714	L616-F666 HydrophobicContact CB-CE1 4.37Å; L616-F666 HydrophobicContact CD2-CD1 3.96Å; L616-F666 HydrophobicContact CD2-CE1 4.26Å; P664-F666 HydrophobicContact CB-CE2 3.81Å; P664-F666 HydrophobicContact CB-CZ 3.81Å; P664-F666 HydrophobicContact CG-CZ 4.5Å; F666-A668 PolarHBondContact O-N 2.93Å; F666-S675 VanDerWaalsContact CD2-CB 3.44Å; F666-M676 HydrophobicContact CE2-CG 4.18Å; F666-M676 HydrophobicContact CE2-SD 4.02Å; F666-M676 HydrophobicContact CZ-SD 4.41Å; F666-L679 HydrophobicContact CD1-CD1 4.48Å; F666-L679 HydrophobicContact CE1-CD1 3.67Å; F666-L679 HydrophobicContact CE2-CD1 4.05Å; F666-L679 HydrophobicContact CZ-CD1 3.4Å; F666-L714 HydrophobicContact CB-CD2 4.08Å
667	T	92.4	Very high	89.4	Confident	90 Å²	90	70.4 Å²	70.4	55%	0.552	40%	0.397	S	S	*	.			trans	-85.4	95.3	169.1	-54.4	0	0	0	0	107.8	L714 L715	T667-L714 WeakPolarHBondContact O-CA 3.06Å; T667-L715 HydrophobicContact CG2-CB 4.31Å; T667-L715 PolarHBondContact O-N 2.83Å
668	A	90	Very high	89.7	Confident	34 Å²	34	66.1 Å²	66.1	28%	0.281	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-90.8	148.4	178.9	0	0	0	0	0	111.7	F666 Q713 L714	F666-A668 PolarHBondContact O-N 2.93Å; A668-Q713 WeakPolarHBondContact CA-O 3.49Å; A668-L714 HydrophobicContact CB-CD2 3.73Å
669	M	88.3	Confident	90.2	Very high	148 Å²	148	61.7 Å²	61.7	73%	0.729	35%	0.351	S	S	*	.	S	Bend	trans	-81.8	-4.8	174.8	-58	-61.1	-74.5	0	0	112.4	S712 Q713	M669-S712 VanDerWaalsContact CG-O 3.31Å; M669-S712 WeakPolarHBondContact CG-O 3.33Å; M669-Q713 PolarHBondContact N-O 3.4Å
670	S	87.2	Confident	90.7	Very high	60 Å²	60	57.7 Å²	57.7	42%	0.42	33%	0.334	S	S	.	.	S	Bend	trans	-139.5	133	178.8	176.3	0	0	0	0	110.8	N672	S670-N672 VanDerWaalsContact C-N 3.31Å; S670-N672 PolarHBondContact O-N 3.31Å
671	D	77.2	Confident	91.2	Very high	169 Å²	169	56 Å²	56	90%	0.904	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.7	-175.3	-64.1	-30	0	0	0	113.9
672	N	82.3	Confident	91.7	Very high	159 Å²	159	54 Å²	54	85%	0.85	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	7.1	-176.3	-71.2	-20.2	0	0	0	113.8	S670	S670-N672 VanDerWaalsContact C-N 3.31Å; S670-N672 PolarHBondContact O-N 3.31Å
673	Q	86.8	Confident	92.2	Very high	47 Å²	47	54 Å²	54	22%	0.22	29%	0.294	C	S	.	.			trans	-85.4	119.1	-174.2	-177	172.2	-4.6	0	0	111.9	S675	Q673-S675 PolarHBondContact O-N 3.33Å
674	D	92	Very high	92.4	Very high	57 Å²	57	51.8 Å²	51.8	31%	0.305	28%	0.282	S	S	.	.			trans	-78	86.6	166.6	-167.6	-28.2	0	0	0	110	R653 M676 Q677 L678	R653-D674 IonicContact CZ-OD2 3.36Å; R653-D674 VanDerWaalsContact CZ-OD2 3.25Å; R653-D674 IonicContact NH1-OD1 3.3Å; R653-D674 PolarHBondContact NH1-OD1 2.88Å; R653-D674 IonicContact NH1-OD2 2.76Å; R653-D674 PolarHBondContact NH1-OD2 2.87Å; R653-D674 IonicContact NH2-OD2 3.92Å; R653-D674 PolarHBondContact NH2-OD2 2.81Å; D674-M676 VanDerWaalsContact C-N 3.25Å; D674-M676 PolarHBondContact O-N 2.9Å; D674-M676 PolarHBondContact OD1-N 3.02Å; D674-Q677 HydrophobicContact CB-CB 4.03Å; D674-Q677 PolarHBondContact O-N 2.77Å; D674-Q677 PolarHBondContact OD1-N 2.84Å; D674-L678 PolarHBondContact O-N 3.49Å
675	S	93.9	Very high	92.4	Very high	12 Å²	12	53.9 Å²	53.9	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-35.3	-179.4	-48.7	0	0	0	0	112.4	F666 Q673 L678 L679 L714	F666-S675 VanDerWaalsContact CD2-CB 3.44Å; Q673-S675 PolarHBondContact O-N 3.33Å; S675-L678 PolarHBondContact O-N 3.23Å; S675-L679 WeakPolarHBondContact O-CB 3.26Å; S675-L679 WeakPolarHBondContact O-CG 3.39Å; S675-L679 PolarHBondContact O-N 3.11Å; S675-L714 WeakPolarHBondContact OG-CD2 3.48Å
676	M	94.3	Very high	92.5	Very high	8 Å²	8	49 Å²	49	4%	0.039	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-44.7	-179.7	-79.5	-70.2	-66.6	0	0	111.5	L649 I652 L663 P664 F666 D674 L678 L679 F680	L649-M676 HydrophobicContact CB-CE 4.26Å; L649-M676 HydrophobicContact CD2-CE 3.75Å; L649-M676 HydrophobicContact CD2-SD 4.08Å; I652-M676 HydrophobicContact CB-CE 4.27Å; I652-M676 HydrophobicContact CG2-CE 3.83Å; L663-M676 HydrophobicContact CD2-CG 4.38Å; P664-M676 HydrophobicContact CG-SD 3.94Å; F666-M676 HydrophobicContact CE2-CG 4.18Å; F666-M676 HydrophobicContact CE2-SD 4.02Å; F666-M676 HydrophobicContact CZ-SD 4.41Å; D674-M676 VanDerWaalsContact C-N 3.25Å; D674-M676 PolarHBondContact O-N 2.9Å; D674-M676 PolarHBondContact OD1-N 3.02Å; M676-L678 VanDerWaalsContact C-N 3.35Å; M676-L679 PolarHBondContact O-N 3.23Å; M676-F680 WeakPolarHBondContact O-CB 3.2Å; M676-F680 PolarHBondContact O-N 2.93Å
677	Q	95.3	Very high	92.5	Very high	67 Å²	67	48.3 Å²	48.3	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-42.1	176.1	-168.5	178.3	28.1	0	0	111.1	D581 I582 D674 R681	D581-Q677 PolarHBondContact OD1-NE2 2.9Å; I582-Q677 HydrophobicContact CG2-CB 4.5Å; I582-Q677 HydrophobicContact CG2-CG 4.3Å; D674-Q677 HydrophobicContact CB-CB 4.03Å; D674-Q677 PolarHBondContact O-N 2.77Å; D674-Q677 PolarHBondContact OD1-N 2.84Å; Q677-R681 WeakPolarHBondContact O-CB 3.27Å; Q677-R681 PolarHBondContact O-N 2.79Å
678	L	95.9	Very high	92.5	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-52.4	175.1	174.8	60.9	0	0	0	111.9	D674 S675 M676 F680 R681 L682 L710 Q713	D674-L678 PolarHBondContact O-N 3.49Å; S675-L678 PolarHBondContact O-N 3.23Å; M676-L678 VanDerWaalsContact C-N 3.35Å; L678-F680 PolarHBondContact O-N 3.34Å; L678-R681 PolarHBondContact O-N 2.95Å; L678-L682 HydrophobicContact CD1-CD1 3.89Å; L678-L682 HydrophobicContact CD1-CG 4.15Å; L678-L682 HydrophobicContact CG-CD1 4.19Å; L678-L682 WeakPolarHBondContact O-CG 3.32Å; L678-L682 PolarHBondContact O-N 2.88Å; L678-L682 VanDerWaalsContact O-N 3.1Å; L678-L710 HydrophobicContact CD2-CD2 3.94Å; L678-L710 HydrophobicContact CG-CD2 4.42Å; L678-Q713 VanDerWaalsContact CD2-OE1 3.28Å
679	L	97.3	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-41.2	-178.2	-69	175.7	0	0	0	111.7	V615 L616 L619 F666 S675 M676 R681 L682 L683 L710 L714	V615-L679 HydrophobicContact CG1-CB 4.07Å; V615-L679 HydrophobicContact CG1-CD2 4.47Å; L616-L679 HydrophobicContact CB-CD1 4.19Å; L616-L679 HydrophobicContact CB-CD2 4.13Å; L616-L679 HydrophobicContact CD1-CD2 3.97Å; L619-L679 HydrophobicContact CD1-CD2 3.83Å; F666-L679 HydrophobicContact CD1-CD1 4.48Å; F666-L679 HydrophobicContact CE1-CD1 3.67Å; F666-L679 HydrophobicContact CE2-CD1 4.05Å; F666-L679 HydrophobicContact CZ-CD1 3.4Å; S675-L679 WeakPolarHBondContact O-CB 3.26Å; S675-L679 WeakPolarHBondContact O-CG 3.39Å; S675-L679 PolarHBondContact O-N 3.11Å; M676-L679 PolarHBondContact O-N 3.23Å; L679-R681 PolarHBondContact O-N 3.2Å; L679-L682 PolarHBondContact O-N 3.08Å; L679-L683 WeakPolarHBondContact O-CB 3.37Å; L679-L683 PolarHBondContact O-N 2.97Å; L679-L710 HydrophobicContact CD2-CD2 4.49Å; L679-L714 HydrophobicContact CD2-CD1 4.5Å
680	F	98.2	Very high	92.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-41.9	176.3	-178.1	-94.6	0	0	0	112.2	T580 I582 V585 R646 L649 V650 M676 L678 T684	T580-F680 WeakPolarHBondContact O-CD1 3.48Å; I582-F680 HydrophobicContact CB-CB 4.19Å; I582-F680 HydrophobicContact CB-CD1 3.52Å; I582-F680 HydrophobicContact CB-CD2 4.39Å; I582-F680 HydrophobicContact CB-CE1 3.94Å; I582-F680 HydrophobicContact CB-CG 3.77Å; I582-F680 HydrophobicContact CD1-CB 3.98Å; I582-F680 HydrophobicContact CD1-CD1 4.45Å; I582-F680 HydrophobicContact CD1-CD2 3.83Å; I582-F680 HydrophobicContact CD1-CE2 4.46Å; I582-F680 HydrophobicContact CD1-CG 3.82Å; I582-F680 HydrophobicContact CG1-CB 4.44Å; I582-F680 HydrophobicContact CG1-CD1 4.02Å; I582-F680 HydrophobicContact CG1-CD2 4.01Å; I582-F680 HydrophobicContact CG1-CE1 4.25Å; I582-F680 HydrophobicContact CG1-CE2 4.26Å; I582-F680 HydrophobicContact CG1-CG 3.88Å; I582-F680 HydrophobicContact CG1-CZ 4.35Å; V585-F680 HydrophobicContact CG2-CE1 4.08Å; V585-F680 HydrophobicContact CG2-CZ 3.97Å; R646-F680 HydrophobicContact CB-CE2 4.06Å; R646-F680 HydrophobicContact CG-CE2 4.3Å; L649-F680 HydrophobicContact CB-CD2 4.03Å; L649-F680 HydrophobicContact CD1-CB 4.19Å; L649-F680 HydrophobicContact CD1-CD2 4.23Å; V650-F680 HydrophobicContact CG2-CD2 4.35Å; V650-F680 HydrophobicContact CG2-CE2 3.53Å; V650-F680 HydrophobicContact CG2-CZ 3.95Å; M676-F680 WeakPolarHBondContact O-CB 3.2Å; M676-F680 PolarHBondContact O-N 2.93Å; L678-F680 PolarHBondContact O-N 3.34Å; F680-T684 WeakPolarHBondContact CE1-OG1 3.45Å; F680-T684 VanDerWaalsContact O-CB 3.22Å; F680-T684 WeakPolarHBondContact O-CB 3.42Å; F680-T684 PolarHBondContact O-N 3.01Å; F680-T684 PolarHBondContact O-OG1 3.33Å
681	R	97.6	Very high	92.3	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-50.1	178.4	-174.8	-176.4	62.2	84.4	3.1	111.3	T580 Q677 L678 L679 T684 K685 E706	T580-R681 WeakPolarHBondContact O-CA 3.23Å; Q677-R681 WeakPolarHBondContact O-CB 3.27Å; Q677-R681 PolarHBondContact O-N 2.79Å; L678-R681 PolarHBondContact O-N 2.95Å; L679-R681 PolarHBondContact O-N 3.2Å; R681-T684 PolarHBondContact O-N 3.45Å; R681-K685 PolarHBondContact O-N 2.98Å; R681-E706 IonicContact CZ-OE2 3.41Å; R681-E706 IonicContact NH1-OE1 2.87Å; R681-E706 PolarHBondContact NH1-OE1 3.06Å; R681-E706 IonicContact NH1-OE2 3.2Å; R681-E706 PolarHBondContact NH1-OE2 3.4Å; R681-E706 IonicContact NH2-OE2 3.7Å; R681-E706 PolarHBondContact NH2-OE2 2.57Å
682	L	97.3	Very high	92	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-43.3	179.2	-64.7	177.1	0	0	0	112	L619 L678 L679 T684 K685 L686 L703 E706 L710	L619-L682 HydrophobicContact CD1-CB 3.75Å; L619-L682 HydrophobicContact CD1-CD1 4.5Å; L619-L682 HydrophobicContact CD2-CB 4.06Å; L678-L682 HydrophobicContact CD1-CD1 3.89Å; L678-L682 HydrophobicContact CD1-CG 4.15Å; L678-L682 HydrophobicContact CG-CD1 4.19Å; L678-L682 WeakPolarHBondContact O-CG 3.32Å; L678-L682 PolarHBondContact O-N 2.88Å; L678-L682 VanDerWaalsContact O-N 3.1Å; L679-L682 PolarHBondContact O-N 3.08Å; L682-T684 VanDerWaalsContact C-N 3.3Å; L682-T684 PolarHBondContact O-N 3.48Å; L682-K685 PolarHBondContact O-N 2.96Å; L682-L686 PolarHBondContact O-N 3.44Å; L682-L703 HydrophobicContact CB-CD1 4.34Å; L682-L703 HydrophobicContact CD2-CD1 3.82Å; L682-E706 HydrophobicContact CD2-CB 3.85Å; L682-L710 HydrophobicContact CD1-CD1 3.91Å; L682-L710 HydrophobicContact CD1-CD2 3.87Å; L682-L710 HydrophobicContact CD1-CG 4.12Å
683	L	96.9	Very high	91.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-39.1	175.1	-179.3	67.6	0	0	0	111.8	V615 L619 L642 L645 R646 L649 L679 L686 W687	V615-L683 HydrophobicContact CG1-CB 4.32Å; V615-L683 HydrophobicContact CG1-CD2 4.21Å; V615-L683 HydrophobicContact CG2-CD2 4.15Å; L619-L683 HydrophobicContact CD1-CB 4.43Å; L642-L683 HydrophobicContact CD2-CD1 3.73Å; L645-L683 HydrophobicContact CB-CD1 4.5Å; L645-L683 HydrophobicContact CB-CD2 3.72Å; R646-L683 HydrophobicContact CB-CD2 4.43Å; R646-L683 HydrophobicContact CG-CD2 3.65Å; R646-L683 HydrophobicContact CG-CG 3.83Å; L649-L683 HydrophobicContact CD1-CD2 3.73Å; L679-L683 WeakPolarHBondContact O-CB 3.37Å; L679-L683 PolarHBondContact O-N 2.97Å; L683-L686 PolarHBondContact O-N 2.81Å; L683-W687 WeakPolarHBondContact O-CB 3.29Å; L683-W687 PolarHBondContact O-N 3.26Å
684	T	96.3	Very high	90.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-47.5	176.9	-62	0	0	0	0	110.7	T580 R646 F680 R681 L682 L686 W687 L688	T580-T684 HydrophobicContact CG2-CG2 3.97Å; R646-T684 PolarHBondContact NE-OG1 2.81Å; F680-T684 WeakPolarHBondContact CE1-OG1 3.45Å; F680-T684 VanDerWaalsContact O-CB 3.22Å; F680-T684 WeakPolarHBondContact O-CB 3.42Å; F680-T684 PolarHBondContact O-N 3.01Å; F680-T684 PolarHBondContact O-OG1 3.33Å; R681-T684 PolarHBondContact O-N 3.45Å; L682-T684 VanDerWaalsContact C-N 3.3Å; L682-T684 PolarHBondContact O-N 3.48Å; T684-L686 VanDerWaalsContact C-N 3.33Å; T684-L686 PolarHBondContact O-N 2.68Å; T684-W687 PolarHBondContact O-N 2.68Å; T684-L688 HydrophobicContact CG2-CD1 4.38Å; T684-L688 HydrophobicContact CG2-CG 4.48Å; T684-L688 VanDerWaalsContact O-CG 3.25Å; T684-L688 WeakPolarHBondContact O-CG 3.35Å; T684-L688 PolarHBondContact O-N 3.02Å
685	K	95.4	Very high	88.9	Confident	52 Å²	52	39.7 Å²	39.7	23%	0.226	21%	0.213	C	C	.	.	H	α-helix	trans	-54.1	-49	173.2	-72.7	-176.3	172	-166.1	0	111.7	T580 R681 L682 W687 L688 C689 L703 E706	T580-K685 HydrophobicContact CG2-CG 4.27Å; R681-K685 PolarHBondContact O-N 2.98Å; L682-K685 PolarHBondContact O-N 2.96Å; K685-W687 PolarHBondContact O-N 3.28Å; K685-L688 PolarHBondContact O-N 2.85Å; K685-C689 PolarHBondContact O-SG 2.64Å; K685-C689 VanDerWaalsContact O-SG 3.41Å; K685-L703 HydrophobicContact CB-CD1 3.9Å; K685-L703 HydrophobicContact CB-CD2 4.03Å; K685-L703 HydrophobicContact CD-CD1 4.03Å; K685-E706 IonicContact NZ-OE1 2.7Å; K685-E706 PolarHBondContact NZ-OE1 3.08Å
686	L	94.1	Very high	87.8	Confident	4 Å²	4	45 Å²	45	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-42.2	178.5	-177.4	60.9	0	0	0	112.7	L619 L622 M636 L642 L682 L683 T684 L688 C689 L703	L619-L686 HydrophobicContact CD2-CD2 4.13Å; L622-L686 HydrophobicContact CD1-CD1 3.81Å; L622-L686 HydrophobicContact CD1-CD2 4.28Å; L622-L686 HydrophobicContact CD2-CD1 4.17Å; M636-L686 HydrophobicContact CB-CD2 4.4Å; M636-L686 HydrophobicContact CG-CD2 4.31Å; L642-L686 HydrophobicContact CD1-CD2 4.36Å; L642-L686 HydrophobicContact CD1-CG 4.02Å; L642-L686 HydrophobicContact CD2-CD2 4.11Å; L682-L686 PolarHBondContact O-N 3.44Å; L683-L686 PolarHBondContact O-N 2.81Å; T684-L686 VanDerWaalsContact C-N 3.33Å; T684-L686 PolarHBondContact O-N 2.68Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-L688 PolarHBondContact O-N 3.38Å; L686-C689 WeakPolarHBondContact O-CB 3.45Å; L686-C689 PolarHBondContact O-N 2.84Å; L686-L703 HydrophobicContact CB-CD2 4.12Å; L686-L703 HydrophobicContact CD1-CD2 4.4Å
687	W	94.1	Very high	87.2	Confident	16 Å²	16	50.6 Å²	50.6	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-38.6	176.5	171.1	81.8	0	0	0	112.4	A575 G639 L642 G643 R646 L683 T684 K685 C689 S690 R691	A575-W687 VanDerWaalsContact O-CH2 3.32Å; A575-W687 WeakPolarHBondContact O-CH2 3.1Å; G639-W687 VanDerWaalsContact O-CD1 3.25Å; G639-W687 PolarHBondContact O-NE1 2.83Å; L642-W687 HydrophobicContact CB-CB 4.07Å; L642-W687 HydrophobicContact CB-CG 4.39Å; G643-W687 VanDerWaalsContact N-CD1 3.35Å; R646-W687 VanDerWaalsContact NH1-CD2 3.3Å; L683-W687 WeakPolarHBondContact O-CB 3.29Å; L683-W687 PolarHBondContact O-N 3.26Å; T684-W687 PolarHBondContact O-N 2.68Å; K685-W687 PolarHBondContact O-N 3.28Å; W687-C689 PolarHBondContact O-N 2.9Å; W687-S690 CarbonylContact O-C 3.51Å; W687-S690 PolarHBondContact O-N 3.02Å; W687-R691 HydrophobicContact CD2-CB 4.19Å; W687-R691 HydrophobicContact CZ2-CB 3.99Å; W687-R691 PolarHBondContact O-N 2.75Å
688	L	92.8	Very high	86.7	Confident	46 Å²	46	53.7 Å²	53.7	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-29.5	179.1	-66.6	168.6	0	0	0	111.7	T578 T684 K685 L686	T578-L688 HydrophobicContact CG2-CD2 3.77Å; T684-L688 HydrophobicContact CG2-CD1 4.38Å; T684-L688 HydrophobicContact CG2-CG 4.48Å; T684-L688 VanDerWaalsContact O-CG 3.25Å; T684-L688 WeakPolarHBondContact O-CG 3.35Å; T684-L688 PolarHBondContact O-N 3.02Å; K685-L688 PolarHBondContact O-N 2.85Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-L688 PolarHBondContact O-N 3.38Å
689	C	90.4	Very high	86.3	Confident	17 Å²	17	53.7 Å²	53.7	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-73.7	-23.2	175.6	-57.3	0	0	0	0	113.6	K685 L686 W687 Q697	K685-C689 PolarHBondContact O-SG 2.64Å; K685-C689 VanDerWaalsContact O-SG 3.41Å; L686-C689 WeakPolarHBondContact O-CB 3.45Å; L686-C689 PolarHBondContact O-N 2.84Å; W687-C689 PolarHBondContact O-N 2.9Å; C689-Q697 HydrophobicContact CB-CB 4.32Å; C689-Q697 WeakPolarHBondContact CB-O 3.23Å; C689-Q697 PolarHBondContact O-N 2.83Å
690	S	86	Confident	85.8	Confident	18 Å²	18	57.6 Å²	57.6	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-122.1	4.3	-169.3	-59.3	0	0	0	0	114.9	M636 G639 W687	M636-S690 PolarHBondContact O-OG 3.15Å; G639-S690 WeakPolarHBondContact CA-O 3.43Å; G639-S690 PolarHBondContact N-O 2.9Å; W687-S690 CarbonylContact O-C 3.51Å; W687-S690 PolarHBondContact O-N 3.02Å
691	R	84.8	Confident	85.4	Confident	74 Å²	74	65.3 Å²	65.3	28%	0.279	35%	0.346	S	S	.	.			trans	-75.4	151.8	-178.1	65.7	179.2	151.2	164.9	-2	112.9	W687 D693 G694	W687-R691 HydrophobicContact CD2-CB 4.19Å; W687-R691 HydrophobicContact CZ2-CB 3.99Å; W687-R691 PolarHBondContact O-N 2.75Å; R691-D693 PolarHBondContact O-N 2.88Å; R691-D693 VanDerWaalsContact O-N 3.12Å; R691-G694 PolarHBondContact O-N 3.35Å
692	D	70.1	Confident	85.2	Confident	141 Å²	141	64.7 Å²	64.7	75%	0.754	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.6	-169.4	-60.6	-35.9	0	0	0	115	G694	D692-G694 VanDerWaalsContact C-N 3.26Å; D692-G694 PolarHBondContact O-N 3.32Å
693	D	65	Low	85	Confident	150 Å²	150	64.6 Å²	64.6	80%	0.802	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2.8	-176.9	-69.9	-33.1	0	0	0	114.5	R691	R691-D693 PolarHBondContact O-N 2.88Å; R691-D693 VanDerWaalsContact O-N 3.12Å
694	G	63.7	Low	84.9	Confident	37 Å²	37	67 Å²	67	38%	0.381	36%	0.364	S	S	.	.	S	Bend	trans	-152.8	166.2	179.6	0	0	0	0	0	113.9	R691 D692	R691-G694 PolarHBondContact O-N 3.35Å; D692-G694 VanDerWaalsContact C-N 3.26Å; D692-G694 PolarHBondContact O-N 3.32Å
695	P	67.8	Low	84.8	Confident	101 Å²	101	71.9 Å²	71.9	66%	0.656	39%	0.39	S	S	*	.			trans	-62.5	142.3	173.2	27.5	-33	0	0	0	109.6	Q697	P695-Q697 WeakPolarHBondContact O-CG 3.4Å; P695-Q697 PolarHBondContact O-N 2.88Å
696	P	71.1	Confident	84.7	Confident	122 Å²	122	72 Å²	72	79%	0.792	39%	0.391	S	S	*	.			trans	-54.9	124.8	176.3	-22.2	31	0	0	0	110.5
697	Q	82.1	Confident	84.8	Confident	126 Å²	126	71.9 Å²	71.9	59%	0.589	39%	0.39	S	S	*	.			trans	-104.3	142.1	175.7	-62.9	-177.8	-7.6	0	0	108.7	C689 P695	C689-Q697 HydrophobicContact CB-CB 4.32Å; C689-Q697 WeakPolarHBondContact CB-O 3.23Å; C689-Q697 PolarHBondContact O-N 2.83Å; P695-Q697 WeakPolarHBondContact O-CG 3.4Å; P695-Q697 PolarHBondContact O-N 2.88Å
698	E	83.7	Confident	84.8	Confident	132 Å²	132	74.2 Å²	74.2	62%	0.617	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-70.3	145.2	168.1	-71.3	-72.4	164.5	0	0	109	R637	R637-E698 IonicContact CZ-OE1 2.79Å; R637-E698 IonicContact NH1-OE1 3.85Å; R637-E698 IonicContact NH2-OE1 3.71Å; R637-E698 PolarHBondContact NH2-OE1 2.95Å; R637-E698 IonicContact NH2-OE2 2.96Å; R637-E698 PolarHBondContact NH2-OE2 2.82Å
699	P	86.7	Confident	84.8	Confident	24 Å²	24	76.7 Å²	76.7	16%	0.156	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-61.1	140.5	175.9	26.2	-32.6	0	0	0	110.2	L622 L703 I704	L622-P699 HydrophobicContact CD1-CG 4.39Å; L622-P699 HydrophobicContact CD2-CB 4.47Å; P699-L703 HydrophobicContact CB-CD2 3.9Å; P699-I704 HydrophobicContact CB-CG1 4.34Å; P699-I704 HydrophobicContact CG-CD1 4.28Å; P699-I704 HydrophobicContact CG-CG1 4.32Å
700	D	87.9	Confident	85	Confident	83 Å²	83	75.9 Å²	75.9	44%	0.444	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-72.3	158.1	179.7	69.4	-20.4	0	0	0	111.9	S702 L703 I704	D700-S702 VanDerWaalsContact CG-OG 3.26Å; D700-S702 PolarHBondContact O-N 3Å; D700-S702 PolarHBondContact OD1-OG 3.17Å; D700-S702 PolarHBondContact OD2-OG 3.27Å; D700-L703 PolarHBondContact O-N 3.49Å; D700-L703 VanDerWaalsContact O-N 3.15Å; D700-L703 WeakPolarHBondContact OD1-CB 3.13Å; D700-L703 PolarHBondContact OD1-N 2.84Å; D700-I704 WeakPolarHBondContact O-CG1 3.47Å; D700-I704 PolarHBondContact O-N 2.75Å; D700-I704 VanDerWaalsContact O-N 3.15Å
701	E	89.7	Confident	85.3	Confident	161 Å²	161	78.6 Å²	78.6	75%	0.752	43%	0.433	S	S	*	.	H	α-helix	trans	-56.9	-33.9	179.2	-68.7	-175.2	166.9	0	0	111.5	I704 D705	E701-I704 PolarHBondContact O-N 2.84Å; E701-D705 WeakPolarHBondContact O-CB 3.49Å; E701-D705 VanDerWaalsContact O-CG 3.31Å; E701-D705 PolarHBondContact O-N 3.18Å
702	S	93.3	Very high	85.6	Confident	52 Å²	52	78.9 Å²	78.9	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-46.9	177.8	89.7	0	0	0	0	112.5	D700 I704 D705 E706	D700-S702 VanDerWaalsContact CG-OG 3.26Å; D700-S702 PolarHBondContact O-N 3Å; D700-S702 PolarHBondContact OD1-OG 3.17Å; D700-S702 PolarHBondContact OD2-OG 3.27Å; S702-I704 VanDerWaalsContact C-N 3.34Å; S702-I704 PolarHBondContact O-N 3.11Å; S702-D705 PolarHBondContact O-N 3Å; S702-E706 VanDerWaalsContact O-CG 3.3Å; S702-E706 WeakPolarHBondContact O-CG 3.22Å; S702-E706 PolarHBondContact O-N 3.31Å; S702-E706 VanDerWaalsContact O-N 3.07Å
703	L	94	Very high	86.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-65	-39.7	176.8	175.6	61	0	0	0	111.7	L622 L682 K685 L686 P699 D700 E706 C707	L622-L703 HydrophobicContact CD2-CD2 4.07Å; L622-L703 HydrophobicContact CD2-CG 3.95Å; L682-L703 HydrophobicContact CB-CD1 4.34Å; L682-L703 HydrophobicContact CD2-CD1 3.82Å; K685-L703 HydrophobicContact CB-CD1 3.9Å; K685-L703 HydrophobicContact CB-CD2 4.03Å; K685-L703 HydrophobicContact CD-CD1 4.03Å; L686-L703 HydrophobicContact CB-CD2 4.12Å; L686-L703 HydrophobicContact CD1-CD2 4.4Å; P699-L703 HydrophobicContact CB-CD2 3.9Å; D700-L703 PolarHBondContact O-N 3.49Å; D700-L703 VanDerWaalsContact O-N 3.15Å; D700-L703 WeakPolarHBondContact OD1-CB 3.13Å; D700-L703 PolarHBondContact OD1-N 2.84Å; L703-E706 PolarHBondContact O-N 2.96Å; L703-C707 WeakPolarHBondContact O-CB 3.47Å; L703-C707 PolarHBondContact O-N 3.45Å; L703-C707 PolarHBondContact O-SG 3.32Å
704	I	93	Very high	88.1	Confident	52 Å²	52	67.6 Å²	67.6	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-48.4	178.7	-64.8	170.4	0	0	0	110.1	P623 P699 D700 E701 S702 E706 C707 C708	P623-I704 HydrophobicContact CB-CG2 4.1Å; P623-I704 HydrophobicContact CG-CG2 4.35Å; P699-I704 HydrophobicContact CB-CG1 4.34Å; P699-I704 HydrophobicContact CG-CD1 4.28Å; P699-I704 HydrophobicContact CG-CG1 4.32Å; D700-I704 WeakPolarHBondContact O-CG1 3.47Å; D700-I704 PolarHBondContact O-N 2.75Å; D700-I704 VanDerWaalsContact O-N 3.15Å; E701-I704 PolarHBondContact O-N 2.84Å; S702-I704 VanDerWaalsContact C-N 3.34Å; S702-I704 PolarHBondContact O-N 3.11Å; I704-E706 VanDerWaalsContact C-N 3.34Å; I704-E706 PolarHBondContact O-N 2.95Å; I704-C707 CarbonylContact O-C 3.56Å; I704-C707 PolarHBondContact O-N 3.42Å; I704-C707 VanDerWaalsContact O-N 3.1Å; I704-C708 PolarHBondContact O-N 2.9Å; I704-C708 PolarHBondContact O-SG 3.02Å
705	D	94.3	Very high	89.5	Confident	101 Å²	101	71.5 Å²	71.5	54%	0.54	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-42.8	178.6	-75	-16.3	0	0	0	111.9	E701 S702 C707 C708 L709	E701-D705 WeakPolarHBondContact O-CB 3.49Å; E701-D705 VanDerWaalsContact O-CG 3.31Å; E701-D705 PolarHBondContact O-N 3.18Å; S702-D705 PolarHBondContact O-N 3Å; D705-C707 VanDerWaalsContact C-N 3.31Å; D705-C707 PolarHBondContact O-N 2.9Å; D705-C708 WeakPolarHBondContact O-CB 3.46Å; D705-C708 PolarHBondContact O-N 2.92Å; D705-L709 WeakPolarHBondContact O-CG 3.36Å; D705-L709 PolarHBondContact O-N 3.01Å
706	E	94.9	Very high	90.6	Very high	56 Å²	56	68.7 Å²	68.7	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-63	-38.6	175.1	-70.1	-169.8	-102.3	0	0	112	R681 L682 K685 S702 L703 I704 L709	R681-E706 IonicContact CZ-OE2 3.41Å; R681-E706 IonicContact NH1-OE1 2.87Å; R681-E706 PolarHBondContact NH1-OE1 3.06Å; R681-E706 IonicContact NH1-OE2 3.2Å; R681-E706 PolarHBondContact NH1-OE2 3.4Å; R681-E706 IonicContact NH2-OE2 3.7Å; R681-E706 PolarHBondContact NH2-OE2 2.57Å; L682-E706 HydrophobicContact CD2-CB 3.85Å; K685-E706 IonicContact NZ-OE1 2.7Å; K685-E706 PolarHBondContact NZ-OE1 3.08Å; S702-E706 VanDerWaalsContact O-CG 3.3Å; S702-E706 WeakPolarHBondContact O-CG 3.22Å; S702-E706 PolarHBondContact O-N 3.31Å; S702-E706 VanDerWaalsContact O-N 3.07Å; L703-E706 PolarHBondContact O-N 2.96Å; I704-E706 VanDerWaalsContact C-N 3.34Å; I704-E706 PolarHBondContact O-N 2.95Å; E706-L709 PolarHBondContact O-N 3.06Å
707	C	94.8	Very high	91.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-71.2	-32.8	176.4	-69.4	0	0	0	0	112.8	L619 L622 P623 L703 I704 D705 L709 L710	L619-C707 WeakPolarHBondContact O-CB 3.47Å; L622-C707 HydrophobicContact CB-CB 4.28Å; L622-C707 HydrophobicContact CD2-CB 4.41Å; P623-C707 HydrophobicContact CG-CB 4Å; L703-C707 WeakPolarHBondContact O-CB 3.47Å; L703-C707 PolarHBondContact O-N 3.45Å; L703-C707 PolarHBondContact O-SG 3.32Å; I704-C707 CarbonylContact O-C 3.56Å; I704-C707 PolarHBondContact O-N 3.42Å; I704-C707 VanDerWaalsContact O-N 3.1Å; D705-C707 VanDerWaalsContact C-N 3.31Å; D705-C707 PolarHBondContact O-N 2.9Å; C707-L709 PolarHBondContact O-N 3.29Å; C707-L710 HydrophobicContact CB-CD1 4.32Å; C707-L710 WeakPolarHBondContact O-CB 3.31Å; C707-L710 PolarHBondContact O-N 3.06Å; C707-L710 VanDerWaalsContact O-N 3.11Å
708	C	94.1	Very high	91.1	Very high	66 Å²	66	61.8 Å²	61.8	45%	0.446	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-30.9	172.6	-74	0	0	0	0	112.4	P623 I704 D705 P711	P623-C708 WeakPolarHBondContact CB-SG 3.28Å; P623-C708 HydrophobicContact CG-CB 4.24Å; P623-C708 WeakPolarHBondContact CG-SG 3.34Å; I704-C708 PolarHBondContact O-N 2.9Å; I704-C708 PolarHBondContact O-SG 3.02Å; D705-C708 WeakPolarHBondContact O-CB 3.46Å; D705-C708 PolarHBondContact O-N 2.92Å; C708-P711 WeakPolarHBondContact O-CD 3.49Å
709	L	93.9	Very high	90.7	Very high	98 Å²	98	56.7 Å²	56.7	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.6	179.9	-61.1	174.2	0	0	0	113.4	D705 E706 C707 S712 Q713	D705-L709 WeakPolarHBondContact O-CG 3.36Å; D705-L709 PolarHBondContact O-N 3.01Å; E706-L709 PolarHBondContact O-N 3.06Å; C707-L709 PolarHBondContact O-N 3.29Å; L709-S712 PolarHBondContact O-N 2.93Å; L709-S712 PolarHBondContact O-OG 2.81Å; L709-Q713 WeakPolarHBondContact O-CG 3.26Å; L709-Q713 PolarHBondContact O-N 2.81Å; L709-Q713 PolarHBondContact O-NE2 3.26Å
710	L	93.8	Very high	90	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-44.8	-178.9	-76.4	170.5	0	0	0	113.8	L619 A620 L678 L679 L682 C707 S712 Q713 L714	L619-L710 HydrophobicContact CB-CD1 3.5Å; A620-L710 HydrophobicContact CB-CB 4.38Å; L678-L710 HydrophobicContact CD2-CD2 3.94Å; L678-L710 HydrophobicContact CG-CD2 4.42Å; L679-L710 HydrophobicContact CD2-CD2 4.49Å; L682-L710 HydrophobicContact CD1-CD1 3.91Å; L682-L710 HydrophobicContact CD1-CD2 3.87Å; L682-L710 HydrophobicContact CD1-CG 4.12Å; C707-L710 HydrophobicContact CB-CD1 4.32Å; C707-L710 WeakPolarHBondContact O-CB 3.31Å; C707-L710 PolarHBondContact O-N 3.06Å; C707-L710 VanDerWaalsContact O-N 3.11Å; L710-S712 PolarHBondContact O-N 3.18Å; L710-S712 VanDerWaalsContact O-N 3.15Å; L710-Q713 PolarHBondContact O-N 3.34Å; L710-L714 HydrophobicContact CD2-CD1 4.48Å; L710-L714 PolarHBondContact O-N 2.78Å
711	P	92.4	Very high	89.3	Confident	75 Å²	75	57.3 Å²	57.3	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-19.5	-179.4	-22	33.9	0	0	0	114.6	A620 C708 V716	A620-P711 HydrophobicContact CB-CG 4.4Å; C708-P711 WeakPolarHBondContact O-CD 3.49Å; P711-V716 HydrophobicContact CB-CG2 4.06Å; P711-V716 HydrophobicContact CG-CG2 4.1Å
712	S	92.1	Very high	88.8	Confident	79 Å²	79	50.1 Å²	50.1	55%	0.552	29%	0.288	S	S	*	.	H	α-helix	trans	-88.2	-11.2	174.1	64.4	0	0	0	0	113.3	M669 L709 L710	M669-S712 VanDerWaalsContact CG-O 3.31Å; M669-S712 WeakPolarHBondContact CG-O 3.33Å; L709-S712 PolarHBondContact O-N 2.93Å; L709-S712 PolarHBondContact O-OG 2.81Å; L710-S712 PolarHBondContact O-N 3.18Å; L710-S712 VanDerWaalsContact O-N 3.15Å
713	Q	93.3	Very high	88.1	Confident	53 Å²	53	48.7 Å²	48.7	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-102.6	-37	178.2	-65.6	174.1	40.8	0	0	112.3	A668 M669 L678 L709 L710	A668-Q713 WeakPolarHBondContact CA-O 3.49Å; M669-Q713 PolarHBondContact N-O 3.4Å; L678-Q713 VanDerWaalsContact CD2-OE1 3.28Å; L709-Q713 WeakPolarHBondContact O-CG 3.26Å; L709-Q713 PolarHBondContact O-N 2.81Å; L709-Q713 PolarHBondContact O-NE2 3.26Å; L710-Q713 PolarHBondContact O-N 3.34Å
714	L	94.3	Very high	87.1	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-135.2	139.2	-173.7	-58.9	171.5	0	0	0	110.2	L616 F666 T667 A668 S675 L679 L710 V716	L616-L714 HydrophobicContact CD1-CB 4.04Å; L616-L714 HydrophobicContact CD1-CD1 3.85Å; L616-L714 HydrophobicContact CD2-CB 3.97Å; L616-L714 HydrophobicContact CD2-CD1 4.39Å; F666-L714 HydrophobicContact CB-CD2 4.08Å; T667-L714 WeakPolarHBondContact O-CA 3.06Å; A668-L714 HydrophobicContact CB-CD2 3.73Å; S675-L714 WeakPolarHBondContact OG-CD2 3.48Å; L679-L714 HydrophobicContact CD2-CD1 4.5Å; L710-L714 HydrophobicContact CD2-CD1 4.48Å; L710-L714 PolarHBondContact O-N 2.78Å; L714-V716 PolarHBondContact O-N 2.61Å
715	L	93.2	Very high	86.1	Confident	119 Å²	119	50.9 Å²	50.9	62%	0.623	29%	0.292	S	S	*	.			trans	-65.6	115	170.7	-176.7	65	0	0	0	110.1	L616 T667	L616-L715 WeakPolarHBondContact CD2-O 3.5Å; T667-L715 HydrophobicContact CG2-CB 4.31Å; T667-L715 PolarHBondContact O-N 2.83Å
716	V	90.4	Very high	85.1	Confident	43 Å²	43	49.4 Å²	49.4	26%	0.261	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-80.5	125.6	-179.4	-176.1	0	0	0	0	110.1	Y617 A620 P711 L714	Y617-V716 HydrophobicContact CD2-CG1 4.45Å; A620-V716 HydrophobicContact CB-CB 4.41Å; A620-V716 HydrophobicContact CB-CG1 3.83Å; A620-V716 HydrophobicContact CB-CG2 3.61Å; P711-V716 HydrophobicContact CB-CG2 4.06Å; P711-V716 HydrophobicContact CG-CG2 4.1Å; L714-V716 PolarHBondContact O-N 2.61Å
717	P	84.8	Confident	84.6	Confident	33 Å²	33	46.8 Å²	46.8	21%	0.214	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.4	152.8	178.9	28.1	-33.1	0	0	0	112.1	D613 Y617	D613-P717 HydrophobicContact CB-CB 4.35Å; D613-P717 HydrophobicContact CB-CG 3.77Å; D613-P717 WeakPolarHBondContact O-CG 3.36Å; Y617-P717 WeakPolarHBondContact CD2-O 3.35Å
718	S	79.4	Confident	84.4	Confident	69 Å²	69	46.8 Å²	46.8	48%	0.483	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-82.2	157.7	172.2	70.5	0	0	0	0	111.8	D720	S718-D720 VanDerWaalsContact C-N 3.28Å; S718-D720 WeakPolarHBondContact CB-OD2 3.35Å; S718-D720 PolarHBondContact O-N 2.63Å; S718-D720 PolarHBondContact OG-OD2 3Å
719	M	74.6	Confident	84.2	Confident	25 Å²	25	44 Å²	44	12%	0.123	25%	0.253	C	S	.	.	S	Bend	trans	-92.1	24.8	177.8	-70.7	-66.9	-68.8	0	0	113.8	F614 Y617 P631 W721 L722	F614-M719 HydrophobicContact CD2-CE 4.19Å; F614-M719 HydrophobicContact CD2-SD 4.25Å; F614-M719 HydrophobicContact CE2-CE 3.91Å; F614-M719 HydrophobicContact CE2-SD 4.45Å; Y617-M719 HydrophobicContact CD1-CE 4.38Å; Y617-M719 HydrophobicContact CD1-CG 3.81Å; Y617-M719 HydrophobicContact CD1-SD 3.47Å; Y617-M719 WeakPolarHBondContact CD1-SD 3.38Å; Y617-M719 HydrophobicContact CD2-CG 3.59Å; Y617-M719 HydrophobicContact CD2-SD 3.99Å; Y617-M719 HydrophobicContact CE1-CE 4.21Å; Y617-M719 HydrophobicContact CE1-CG 3.42Å; Y617-M719 VanDerWaalsContact CE1-CG 3.42Å; Y617-M719 HydrophobicContact CE1-SD 3.62Å; Y617-M719 HydrophobicContact CE2-CB 4.31Å; Y617-M719 HydrophobicContact CE2-CG 3.17Å; Y617-M719 HydrophobicContact CE2-SD 4.11Å; Y617-M719 HydrophobicContact CG-CG 3.89Å; Y617-M719 HydrophobicContact CG-SD 3.68Å; P631-M719 HydrophobicContact CB-CE 4.29Å; M719-W721 HydrophobicContact CE-CH2 3.71Å; M719-W721 HydrophobicContact CE-CZ2 3.23Å; M719-W721 PolarHBondContact O-N 2.99Å; M719-W721 HydrophobicContact SD-CH2 4.41Å; M719-W721 HydrophobicContact SD-CZ2 3.38Å; M719-W721 WeakPolarHBondContact SD-CZ2 3.28Å; M719-W721 PolarHBondContact SD-NE1 2.61Å; M719-L722 HydrophobicContact CB-CD1 4.22Å; M719-L722 HydrophobicContact CE-CD1 3.39Å; M719-L722 HydrophobicContact CE-CD2 4.2Å; M719-L722 HydrophobicContact CE-CG 3.79Å; M719-L722 PolarHBondContact O-N 2.96Å
720	D	71.7	Confident	83.7	Confident	97 Å²	97	42 Å²	42	52%	0.519	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.9	-179.6	-60.3	-40.1	0	0	0	112.5	S718 L722 R762	S718-D720 VanDerWaalsContact C-N 3.28Å; S718-D720 WeakPolarHBondContact CB-OD2 3.35Å; S718-D720 PolarHBondContact O-N 2.63Å; S718-D720 PolarHBondContact OG-OD2 3Å; D720-L722 VanDerWaalsContact C-N 3.29Å; D720-L722 PolarHBondContact O-N 3.04Å; D720-R762 PolarHBondContact O-NE 2.77Å; D720-R762 PolarHBondContact O-NH2 2.88Å
721	W	73.3	Confident	83.2	Confident	23 Å²	23	46.2 Å²	46.2	9%	0.087	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.4	177.6	60	-94.9	0	0	0	115.4	A539 L542 W610 F614 M719 M769 N771	A539-W721 HydrophobicContact CB-CH2 3.88Å; A539-W721 HydrophobicContact CB-CZ3 4.32Å; L542-W721 HydrophobicContact CD2-CE3 4.42Å; L542-W721 HydrophobicContact CD2-CZ3 3.99Å; W610-W721 AromaticContact CD1-CE3 3.98Å; W610-W721 AromaticContact CE2-CH2 3.3Å; W610-W721 AromaticContact CE2-CZ2 3.84Å; W610-W721 AromaticContact CE2-CZ3 3.43Å; W610-W721 VanDerWaalsContact CE2-CZ3 3.43Å; W610-W721 HydrophobicContact CH2-CH2 4.37Å; W610-W721 HydrophobicContact CZ2-CE3 4.48Å; W610-W721 AromaticContact CZ2-CH2 3.15Å; W610-W721 HydrophobicContact CZ2-CH2 3.15Å; W610-W721 HydrophobicContact CZ2-CZ2 4.03Å; W610-W721 AromaticContact CZ2-CZ3 3.42Å; W610-W721 HydrophobicContact CZ2-CZ3 3.42Å; W610-W721 VanDerWaalsContact CZ2-CZ3 3.42Å; W610-W721 AromaticContact NE1-CD2 3.51Å; W610-W721 AromaticContact NE1-CE2 3.57Å; W610-W721 AromaticContact NE1-CE3 3.11Å; W610-W721 AromaticContact NE1-CH2 3.02Å; W610-W721 AromaticContact NE1-CZ2 3.31Å; W610-W721 VanDerWaalsContact NE1-CZ2 3.31Å; W610-W721 AromaticContact NE1-CZ3 2.89Å; F614-W721 HydrophobicContact CB-CZ2 4.47Å; F614-W721 AromaticContact CD2-CH2 3.95Å; F614-W721 HydrophobicContact CD2-CH2 3.95Å; F614-W721 AromaticContact CD2-CZ2 3.6Å; F614-W721 HydrophobicContact CD2-CZ2 3.6Å; F614-W721 HydrophobicContact CE2-CH2 4.21Å; F614-W721 HydrophobicContact CE2-CZ2 4.15Å; F614-W721 HydrophobicContact CG-CH2 4.49Å; F614-W721 HydrophobicContact CG-CZ2 4.28Å; M719-W721 HydrophobicContact CE-CH2 3.71Å; M719-W721 HydrophobicContact CE-CZ2 3.23Å; M719-W721 PolarHBondContact O-N 2.99Å; M719-W721 HydrophobicContact SD-CH2 4.41Å; M719-W721 HydrophobicContact SD-CZ2 3.38Å; M719-W721 WeakPolarHBondContact SD-CZ2 3.28Å; M719-W721 PolarHBondContact SD-NE1 2.61Å; W721-M769 VanDerWaalsContact CA-SD 3.58Å; W721-M769 HydrophobicContact CB-CE 3.49Å; W721-M769 VanDerWaalsContact CB-CE 3.49Å; W721-M769 HydrophobicContact CB-CG 4.5Å; W721-M769 HydrophobicContact CB-SD 3.02Å; W721-M769 WeakPolarHBondContact CB-SD 3.47Å; W721-M769 HydrophobicContact CG-SD 4.29Å; W721-N771 PolarHBondContact O-ND2 3.05Å
722	L	78.4	Confident	83	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.052	24%	0.24	C	C	.	.	S	Bend	trans	-77.8	148.9	174.6	-71.7	167.4	0	0	0	111.6	C535 A539 P631 M719 D720 R762	C535-L722 HydrophobicContact CB-CD1 3.55Å; C535-L722 HydrophobicContact CB-CD2 4.43Å; C535-L722 HydrophobicContact CB-CG 4.48Å; A539-L722 HydrophobicContact CB-CD2 4.25Å; P631-L722 HydrophobicContact CB-CD1 3.74Å; P631-L722 HydrophobicContact CG-CD1 4.11Å; M719-L722 HydrophobicContact CB-CD1 4.22Å; M719-L722 HydrophobicContact CE-CD1 3.39Å; M719-L722 HydrophobicContact CE-CD2 4.2Å; M719-L722 HydrophobicContact CE-CG 3.79Å; M719-L722 PolarHBondContact O-N 2.96Å; D720-L722 VanDerWaalsContact C-N 3.29Å; D720-L722 PolarHBondContact O-N 3.04Å; L722-R762 PolarHBondContact O-NH2 3.31Å
723	P	79.4	Confident	82.3	Confident	22 Å²	22	40.2 Å²	40.2	14%	0.143	22%	0.22	C	C	.	.			trans	-75.4	137.3	-179.3	32.9	-36.3	0	0	0	111	H538 C791 C793	H538-P723 HydrophobicContact CB-CG 4.17Å; P723-C791 HydrophobicContact CB-CB 4.48Å; P723-C791 WeakPolarHBondContact CB-O 2.81Å; P723-C791 HydrophobicContact CG-CB 4.4Å; P723-C793 HydrophobicContact CB-CB 3.95Å
724	V	72.9	Confident	81.1	Confident	60 Å²	60	39.6 Å²	39.6	36%	0.364	23%	0.228	S	C	.	.			trans	-107	124	177.4	-177.7	0	0	0	0	108.6	F760 C791 G792	V724-F760 WeakPolarHBondContact CG2-O 3.43Å; V724-C791 CarbonylContact C-O 3.51Å; V724-G792 WeakPolarHBondContact O-CA 3.44Å
725	N	72.6	Confident	80	Confident	39 Å²	39	46.5 Å²	46.5	21%	0.209	26%	0.257	C	S	.	.			trans	-86.8	135	179.3	170.1	-57	0	0	0	110.6	E59 G727 R790 C791	E59-N725 PolarHBondContact OE1-ND2 3Å; N725-G727 WeakPolarHBondContact OD1-CA 3.37Å; N725-G727 PolarHBondContact OD1-N 3.33Å; N725-R790 PolarHBondContact ND2-O 3.25Å; N725-C791 PolarHBondContact N-O 3.39Å
726	D	74.1	Confident	79.5	Confident	69 Å²	69	47.5 Å²	47.5	37%	0.369	26%	0.263	S	S	.	.			trans	-113.7	7.4	176.1	63.5	-21.2	0	0	0	113.5	H60 R824	H60-D726 IonicContact CD2-OD1 3.96Å; H60-D726 IonicContact CE1-OD1 2.7Å; H60-D726 IonicContact NE2-OD1 3.66Å; H60-D726 PolarHBondContact NE2-OD1 2.87Å; H60-D726 IonicContact NE2-OD2 3.86Å; D726-R824 IonicContact OD2-NH2 3.89Å; D726-R824 PolarHBondContact OD2-NH2 3.46Å
727	G	83.7	Confident	79.3	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.021	27%	0.272	C	S	.	.			trans	-69.3	164.7	-176.8	0	0	0	0	0	114.3	E59 N725	E59-G727 WeakPolarHBondContact OE1-CA 3.26Å; N725-G727 WeakPolarHBondContact OD1-CA 3.37Å; N725-G727 PolarHBondContact OD1-N 3.33Å
728	I	89.6	Confident	79.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-81.6	-23.4	-170	-154.5	177.8	0	0	0	113.9	Y5 E59 P61 W62 W479 V730 K731 L732 L738 L740	Y5-I728 HydrophobicContact CD1-CD1 3.91Å; Y5-I728 HydrophobicContact CE1-CD1 4.36Å; Y5-I728 HydrophobicContact CE1-CG2 4.45Å; Y5-I728 HydrophobicContact CG-CD1 4.28Å; E59-I728 WeakPolarHBondContact O-CG2 3.33Å; E59-I728 PolarHBondContact O-N 2.98Å; P61-I728 HydrophobicContact CG-CD1 3.97Å; W62-I728 HydrophobicContact CH2-CB 4.28Å; W62-I728 HydrophobicContact CZ3-CB 4.06Å; W62-I728 HydrophobicContact CZ3-CD1 4.2Å; W62-I728 HydrophobicContact CZ3-CG1 4.19Å; W479-I728 HydrophobicContact CZ2-CG2 4.27Å; I728-V730 VanDerWaalsContact C-N 3.26Å; I728-V730 PolarHBondContact O-N 2.83Å; I728-V730 VanDerWaalsContact O-N 3.14Å; I728-K731 WeakPolarHBondContact O-CA 3.17Å; I728-K731 WeakPolarHBondContact O-CB 3.49Å; I728-K731 PolarHBondContact O-N 3.42Å; I728-L732 HydrophobicContact CD1-CD2 4.4Å; I728-L732 HydrophobicContact CD1-CG 4.49Å; I728-L732 HydrophobicContact CG1-CD1 4.49Å; I728-L732 HydrophobicContact CG1-CD2 4.45Å; I728-L732 HydrophobicContact CG1-CG 4.12Å; I728-L732 HydrophobicContact CG2-CD1 3.91Å; I728-L732 HydrophobicContact CG2-CG 4.39Å; I728-L732 WeakPolarHBondContact O-CG 3.17Å; I728-L732 PolarHBondContact O-N 3.35Å; I728-L738 HydrophobicContact CD1-CD1 3.89Å; I728-L738 HydrophobicContact CG1-CD1 3.91Å; I728-L740 HydrophobicContact CD1-CD1 3.34Å; I728-L740 HydrophobicContact CD1-CD2 4.32Å; I728-L740 HydrophobicContact CD1-CG 4.39Å
729	I	90.2	Very high	80.1	Confident	7 Å²	7	57 Å²	57	4%	0.036	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.6	-170.1	-165.1	62.3	0	0	0	114	E59 W479 L482 L483 L526 K731 L732 Q733	E59-I729 VanDerWaalsContact OE1-CG2 3.27Å; E59-I729 WeakPolarHBondContact OE1-CG2 3.5Å; E59-I729 VanDerWaalsContact OE2-CB 3.27Å; E59-I729 WeakPolarHBondContact OE2-CB 3.32Å; E59-I729 PolarHBondContact OE2-N 3.35Å; W479-I729 HydrophobicContact CZ2-CD1 4.47Å; L482-I729 HydrophobicContact CB-CD1 3.92Å; L482-I729 HydrophobicContact CB-CG1 3.8Å; L482-I729 HydrophobicContact CD1-CG1 4.37Å; L483-I729 HydrophobicContact CD2-CD1 3.63Å; L483-I729 HydrophobicContact CG-CD1 4.07Å; L526-I729 HydrophobicContact CD2-CG1 3.92Å; L526-I729 HydrophobicContact CD2-CG2 4.13Å; I729-K731 VanDerWaalsContact C-N 3.31Å; I729-K731 PolarHBondContact O-N 2.69Å; I729-L732 PolarHBondContact O-N 2.85Å; I729-Q733 PolarHBondContact O-NE2 3.42Å
730	V	84.1	Confident	80.9	Confident	56 Å²	56	56.1 Å²	56.1	34%	0.339	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.9	178.2	-178.3	0	0	0	0	110.8	K525 I728 Q733	K525-V730 HydrophobicContact CB-CG2 4.32Å; I728-V730 VanDerWaalsContact C-N 3.26Å; I728-V730 PolarHBondContact O-N 2.83Å; I728-V730 VanDerWaalsContact O-N 3.14Å; V730-Q733 WeakPolarHBondContact O-CB 3.32Å; V730-Q733 WeakPolarHBondContact O-CG 3.34Å; V730-Q733 PolarHBondContact O-N 2.99Å
731	K	83.9	Confident	81.9	Confident	88 Å²	88	55.6 Å²	55.6	38%	0.383	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-79.6	-25.6	-179.9	-59.7	177.2	-176.4	161.9	0	112.1	I728 I729 Q733 G734 L738 L748	I728-K731 WeakPolarHBondContact O-CA 3.17Å; I728-K731 WeakPolarHBondContact O-CB 3.49Å; I728-K731 PolarHBondContact O-N 3.42Å; I729-K731 VanDerWaalsContact C-N 3.31Å; I729-K731 PolarHBondContact O-N 2.69Å; K731-Q733 PolarHBondContact O-N 3.07Å; K731-G734 PolarHBondContact O-N 2.95Å; K731-L738 HydrophobicContact CB-CD1 4.23Å; K731-L748 HydrophobicContact CD-CB 4.35Å; K731-L748 HydrophobicContact CD-CD1 3.53Å; K731-L748 HydrophobicContact CD-CG 4.32Å
732	L	87.3	Confident	82.8	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-70.7	-7.5	172.9	-69.6	-178.6	0	0	0	113.3	A4 Y5 R446 W479 L483 I728 I729 G734 L738	A4-L732 HydrophobicContact CB-CD1 4.43Å; A4-L732 HydrophobicContact CB-CD2 4.23Å; A4-L732 WeakPolarHBondContact O-CD2 3.39Å; Y5-L732 HydrophobicContact CD1-CD1 4.04Å; Y5-L732 HydrophobicContact CD1-CD2 4.19Å; Y5-L732 HydrophobicContact CE1-CD1 4.28Å; R446-L732 PolarHBondContact NH1-O 3.23Å; R446-L732 PolarHBondContact NH2-O 3.34Å; W479-L732 HydrophobicContact CZ2-CD1 4.16Å; L483-L732 HydrophobicContact CD2-CD1 3.6Å; I728-L732 HydrophobicContact CD1-CD2 4.4Å; I728-L732 HydrophobicContact CD1-CG 4.49Å; I728-L732 HydrophobicContact CG1-CD1 4.49Å; I728-L732 HydrophobicContact CG1-CD2 4.45Å; I728-L732 HydrophobicContact CG1-CG 4.12Å; I728-L732 HydrophobicContact CG2-CD1 3.91Å; I728-L732 HydrophobicContact CG2-CG 4.39Å; I728-L732 WeakPolarHBondContact O-CG 3.17Å; I728-L732 PolarHBondContact O-N 3.35Å; I729-L732 PolarHBondContact O-N 2.85Å; L732-G734 PolarHBondContact O-N 2.88Å; L732-L738 HydrophobicContact CD2-CD1 3.72Å; L732-L738 HydrophobicContact CD2-CG 4.14Å; L732-L738 HydrophobicContact CG-CD1 4.49Å
733	Q	78.1	Confident	83.1	Confident	28 Å²	28	57.6 Å²	57.6	13%	0.131	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.2	-25.6	173.6	-61.4	-55.3	-46.6	0	0	112.3	V485 I729 V730 K731 K735	V485-Q733 PolarHBondContact O-OE1 3.1Å; I729-Q733 PolarHBondContact O-NE2 3.42Å; V730-Q733 WeakPolarHBondContact O-CB 3.32Å; V730-Q733 WeakPolarHBondContact O-CG 3.34Å; V730-Q733 PolarHBondContact O-N 2.99Å; K731-Q733 PolarHBondContact O-N 3.07Å; Q733-K735 PolarHBondContact O-N 2.96Å
734	G	67.8	Low	83.3	Confident	40 Å²	40	60.6 Å²	60.6	41%	0.412	32%	0.319	S	S	.	.	S	Bend	trans	-67.4	127.3	164	0	0	0	0	0	110.6	K731 L732 L736	K731-G734 PolarHBondContact O-N 2.95Å; L732-G734 PolarHBondContact O-N 2.88Å; G734-L736 PolarHBondContact O-N 2.76Å
735	K	70.6	Confident	83.2	Confident	145 Å²	145	61.2 Å²	61.2	63%	0.63	33%	0.331	S	S	*	.	S	Bend	trans	-69.1	7.1	178.4	-64.3	-172.4	178.4	-174.6	0	114.4	Q733	Q733-K735 PolarHBondContact O-N 2.96Å
736	L	82.6	Confident	82.5	Confident	141 Å²	141	61.4 Å²	61.4	74%	0.738	34%	0.335	S	S	*	.	S	Bend	trans	-90.7	133.4	178.5	-69.6	171	0	0	0	110	G734 L738	G734-L736 PolarHBondContact O-N 2.76Å; L736-L738 PolarHBondContact O-N 2.95Å
737	P	86.1	Confident	81.3	Confident	70 Å²	70	63 Å²	63	46%	0.455	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66.3	133.2	177.9	26	-32.8	0	0	0	111	L3 A4	L3-P737 HydrophobicContact CB-CB 4.13Å; L3-P737 HydrophobicContact CD2-CB 3.87Å; L3-P737 HydrophobicContact CD2-CG 4.48Å; L3-P737 HydrophobicContact CG-CB 3.87Å; L3-P737 WeakPolarHBondContact O-CB 2.99Å; A4-P737 WeakPolarHBondContact O-CA 3.33Å
738	L	90.9	Very high	79.6	Confident	40 Å²	40	66.3 Å²	66.3	21%	0.209	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	144.6	176.1	-59.7	177.9	0	0	0	111.4	A4 Y5 V6 I728 K731 L732 L736 L740	A4-L738 PolarHBondContact O-N 2.76Å; Y5-L738 CarbonylContact C-O 3.51Å; Y5-L738 WeakPolarHBondContact CA-O 3.37Å; Y5-L738 WeakPolarHBondContact CB-O 3.18Å; V6-L738 PolarHBondContact N-O 3.24Å; I728-L738 HydrophobicContact CD1-CD1 3.89Å; I728-L738 HydrophobicContact CG1-CD1 3.91Å; K731-L738 HydrophobicContact CB-CD1 4.23Å; L732-L738 HydrophobicContact CD2-CD1 3.72Å; L732-L738 HydrophobicContact CD2-CG 4.14Å; L732-L738 HydrophobicContact CG-CD1 4.49Å; L736-L738 PolarHBondContact O-N 2.95Å; L738-L740 HydrophobicContact CB-CD2 4.33Å; L738-L740 HydrophobicContact CB-CG 4.48Å
739	R	90.8	Very high	77.2	Confident	233 Å²	233	75.2 Å²	75.2	88%	0.879	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.7	169.1	-68.8	-174.1	179	177.6	1.7	109.1
740	L	92.1	Very high	74.5	Confident	7 Å²	7	78.3 Å²	78.3	4%	0.037	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.7	-172.6	-52.3	172.2	0	0	0	109.6	Y5 V6 C7 D8 P61 W62 I728 L738	Y5-L740 HydrophobicContact CD2-CD1 3.93Å; Y5-L740 HydrophobicContact CG-CD1 3.97Å; V6-L740 PolarHBondContact O-N 3.23Å; C7-L740 WeakPolarHBondContact CA-O 3.28Å; C7-L740 HydrophobicContact CB-CB 4.29Å; D8-L740 PolarHBondContact N-O 3.33Å; P61-L740 HydrophobicContact CB-CD1 4.32Å; P61-L740 HydrophobicContact CG-CD1 3.43Å; P61-L740 VanDerWaalsContact CG-CD1 3.43Å; W62-L740 HydrophobicContact CE3-CD1 4.45Å; I728-L740 HydrophobicContact CD1-CD1 3.34Å; I728-L740 HydrophobicContact CD1-CD2 4.32Å; I728-L740 HydrophobicContact CD1-CG 4.39Å; L738-L740 HydrophobicContact CB-CD2 4.33Å; L738-L740 HydrophobicContact CB-CG 4.48Å
741	Q	91.6	Very high	71.9	Confident	87 Å²	87	82.8 Å²	82.8	41%	0.407	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	174.5	-70.7	-174.7	-4.8	0	0	110.2	D8 W62 K744	D8-Q741 WeakPolarHBondContact O-CA 3.49Å; W62-Q741 WeakPolarHBondContact CB-O 3.41Å; Q741-K744 HydrophobicContact CB-CB 4.25Å; Q741-K744 HydrophobicContact CB-CD 4.46Å; Q741-K744 PolarHBondContact O-N 2.83Å
742	F	91.4	Very high	69.3	Low	9 Å²	9	81.3 Å²	81.3	4%	0.039	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	139.8	171	-70.8	-52.4	0	0	0	111.1	C7 D8 W9 F35 I56 P61 V64 L442 K744	C7-F742 HydrophobicContact CB-CD1 4.25Å; C7-F742 HydrophobicContact CB-CE1 3.7Å; C7-F742 HydrophobicContact CB-CE2 4.25Å; C7-F742 HydrophobicContact CB-CZ 3.7Å; C7-F742 WeakPolarHBondContact SG-CD1 3.41Å; C7-F742 WeakPolarHBondContact SG-CE1 3.38Å; D8-F742 WeakPolarHBondContact O-CD2 3.43Å; D8-F742 PolarHBondContact O-N 2.78Å; W9-F742 HydrophobicContact CD2-CB 4.47Å; W9-F742 AromaticContact CD2-CD2 3.51Å; W9-F742 HydrophobicContact CD2-CD2 3.51Å; W9-F742 HydrophobicContact CD2-CE2 4.16Å; W9-F742 HydrophobicContact CD2-CG 4.35Å; W9-F742 AromaticContact CE2-CD2 3.51Å; W9-F742 AromaticContact CE2-CE2 3.7Å; W9-F742 HydrophobicContact CE3-CB 3.96Å; W9-F742 AromaticContact CE3-CD2 3.86Å; W9-F742 HydrophobicContact CE3-CD2 3.86Å; W9-F742 HydrophobicContact CE3-CG 4.25Å; W9-F742 AromaticContact CG-CD2 3.9Å; W9-F742 HydrophobicContact CG-CD2 3.9Å; W9-F742 HydrophobicContact CG-CE2 4.42Å; W9-F742 HydrophobicContact CH2-CD2 4.12Å; W9-F742 HydrophobicContact CH2-CG 4.32Å; W9-F742 AromaticContact CZ2-CD2 3.84Å; W9-F742 HydrophobicContact CZ2-CD2 3.84Å; W9-F742 AromaticContact CZ2-CE2 3.97Å; W9-F742 HydrophobicContact CZ2-CE2 3.97Å; W9-F742 HydrophobicContact CZ2-CG 4.46Å; W9-F742 HydrophobicContact CZ3-CB 4Å; W9-F742 HydrophobicContact CZ3-CD2 4.15Å; W9-F742 HydrophobicContact CZ3-CG 4.24Å; W9-F742 AromaticContact NE1-CD2 3.88Å; W9-F742 AromaticContact NE1-CE2 3.72Å; F35-F742 HydrophobicContact CE1-CZ 4.39Å; F35-F742 HydrophobicContact CZ-CE2 4.26Å; F35-F742 AromaticContact CZ-CZ 3.83Å; F35-F742 HydrophobicContact CZ-CZ 3.83Å; I56-F742 HydrophobicContact CG2-CE1 4.15Å; P61-F742 WeakPolarHBondContact O-CD1 3.39Å; P61-F742 WeakPolarHBondContact O-CE1 3.15Å; V64-F742 HydrophobicContact CB-CD1 3.7Å; V64-F742 HydrophobicContact CB-CE1 4.26Å; V64-F742 HydrophobicContact CB-CG 4.41Å; V64-F742 HydrophobicContact CG1-CB 3.62Å; V64-F742 HydrophobicContact CG1-CD1 3.61Å; V64-F742 HydrophobicContact CG1-CG 3.85Å; V64-F742 HydrophobicContact CG2-CD1 4.33Å; L442-F742 HydrophobicContact CB-CZ 3.96Å; F742-K744 PolarHBondContact O-N 2.8Å; F742-K744 VanDerWaalsContact O-N 3.13Å
743	G	86.1	Confident	66.7	Low	66 Å²	66	89 Å²	89	68%	0.68	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-9.2	179.6	0	0	0	0	0	115.1	W62	W62-G743 WeakPolarHBondContact O-CA 3.26Å; W62-G743 PolarHBondContact O-N 2.78Å
744	K	83.9	Confident	64.5	Low	84 Å²	84	93 Å²	93	37%	0.365	56%	0.559	S	S	.	*			trans	-110.1	103.3	177.5	-65.9	-172.4	-170.8	170.8	0	109.4	E10 W62 Q741 F742 S746	E10-K744 VanDerWaalsContact CD-CE 3.47Å; E10-K744 VanDerWaalsContact CD-NZ 3.28Å; E10-K744 VanDerWaalsContact OE1-CE 3.25Å; E10-K744 WeakPolarHBondContact OE1-CE 3.35Å; E10-K744 IonicContact OE1-NZ 3.97Å; E10-K744 PolarHBondContact OE1-NZ 2.85Å; E10-K744 WeakPolarHBondContact OE2-CE 3.44Å; E10-K744 IonicContact OE2-NZ 3.74Å; W62-K744 VanDerWaalsContact CB-O 3.28Å; W62-K744 WeakPolarHBondContact CB-O 3.23Å; Q741-K744 HydrophobicContact CB-CB 4.25Å; Q741-K744 HydrophobicContact CB-CD 4.46Å; Q741-K744 PolarHBondContact O-N 2.83Å; F742-K744 PolarHBondContact O-N 2.8Å; F742-K744 VanDerWaalsContact O-N 3.13Å; K744-S746 PolarHBondContact O-N 3.29Å
745	A	70.2	Confident	62.8	Low	73 Å²	73	93.7 Å²	93.7	60%	0.603	56%	0.561	S	S	*	*			trans	-50.3	117.3	164.9	0	0	0	0	0	107	S747	A745-S747 PolarHBondContact O-N 3.32Å
746	S	57.3	Low	61.1	Low	43 Å²	43	92 Å²	92	30%	0.301	56%	0.564	S	S	.	*			trans	-67.8	107.5	-176.6	-168.1	0	0	0	0	106.2	K744 L748	K744-S746 PolarHBondContact O-N 3.29Å; S746-L748 WeakPolarHBondContact O-CG 3.27Å; S746-L748 PolarHBondContact O-N 2.94Å; S746-L748 VanDerWaalsContact OG-CD2 3.25Å; S746-L748 WeakPolarHBondContact OG-CD2 3.21Å; S746-L748 WeakPolarHBondContact OG-CG 3.25Å
747	S	49.8	Very low	59.1	Low	104 Å²	104	89.5 Å²	89.5	73%	0.727	55%	0.551	S	S	*	*			trans	-64.4	78.8	163.5	55.1	0	0	0	0	105.5	A745 Q749	A745-S747 PolarHBondContact O-N 3.32Å; S747-Q749 PolarHBondContact O-N 3.33Å
748	L	48.5	Very low	56.9	Low	71 Å²	71	92.3 Å²	92.3	37%	0.372	56%	0.563	S	S	.	*			trans	-75.6	54.4	-176.2	-73.9	152.3	0	0	0	108.7	K731 S746	K731-L748 HydrophobicContact CD-CB 4.35Å; K731-L748 HydrophobicContact CD-CD1 3.53Å; K731-L748 HydrophobicContact CD-CG 4.32Å; S746-L748 WeakPolarHBondContact O-CG 3.27Å; S746-L748 PolarHBondContact O-N 2.94Å; S746-L748 VanDerWaalsContact OG-CD2 3.25Å; S746-L748 WeakPolarHBondContact OG-CD2 3.21Å; S746-L748 WeakPolarHBondContact OG-CG 3.25Å
749	Q	38.3	Very low	54.5	Low	187 Å²	187	95.1 Å²	95.1	87%	0.874	58%	0.581	S	S	*	*			trans	-74.7	115.5	157.4	-77.2	-177.7	-13.9	0	0	106.3	S747	S747-Q749 PolarHBondContact O-N 3.33Å
750	G	33.8	Very low	52.3	Low	71 Å²	71	86.4 Å²	86.4	73%	0.732	55%	0.55	S	S	*	.			trans	130.7	61	167.3	0	0	0	0	0	115.9
751	V	28.9	Very low	50	Low	150 Å²	150	89.9 Å²	89.9	91%	0.909	57%	0.571	S	S	*	*	S	Bend	trans	-144.3	103.4	135.2	-176.4	0	0	0	0	106.9
752	G	30.4	Very low	48.3	Very low	58 Å²	58	89.6 Å²	89.6	60%	0.598	57%	0.566	S	S	*	*			trans	63.9	105	163.9	0	0	0	0	0	117.2	S754	G752-S754 PolarHBondContact O-N 2.83Å
753	V	32.6	Very low	46.3	Very low	162 Å²	162	93.1 Å²	93.1	98%	0.982	59%	0.592	S	S	*	*	S	Bend	trans	-69.7	52.5	169	-174.8	0	0	0	0	111
754	S	31.6	Very low	44.5	Very low	112 Å²	112	96.7 Å²	96.7	78%	0.783	60%	0.603	S	S	*	*			trans	-155	29	-177.2	73.3	0	0	0	0	115.3	G752	G752-S754 PolarHBondContact O-N 2.83Å
755	A	31.7	Very low	43	Very low	55 Å²	55	95.3 Å²	95.3	46%	0.455	61%	0.613	S	S	.	*			trans	-106.8	138.3	172	0	0	0	0	0	110.2	L757	A755-L757 PolarHBondContact O-N 2.77Å
756	P	34.7	Very low	42.8	Very low	108 Å²	108	93.1 Å²	93.1	70%	0.701	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-73.6	41.7	173.3	34.2	-35	0	0	0	111.3
757	L	39.6	Very low	43.6	Very low	90 Å²	90	95.6 Å²	95.6	47%	0.471	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-79.4	-5.7	166.6	-127.6	85.2	0	0	0	111.4	T528 A755 V759 F760	T528-L757 HydrophobicContact CG2-CD1 4.17Å; A755-L757 PolarHBondContact O-N 2.77Å; L757-V759 PolarHBondContact O-N 3.26Å; L757-V759 VanDerWaalsContact O-N 3.14Å; L757-F760 PolarHBondContact O-N 3.17Å; L757-F760 VanDerWaalsContact O-N 3.16Å
758	D	40.1	Very low	45	Very low	129 Å²	129	93.7 Å²	93.7	69%	0.69	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-65.6	-8.9	176.3	-90.9	-21.2	0	0	0	114.4	F760 T761	D758-F760 PolarHBondContact O-N 3.11Å; D758-T761 VanDerWaalsContact CA-OG1 3.23Å; D758-T761 WeakPolarHBondContact CA-OG1 3.37Å; D758-T761 PolarHBondContact O-OG1 2.7Å; D758-T761 PolarHBondContact OD1-OG1 3.32Å
759	V	41.9	Very low	46.8	Very low	98 Å²	98	91.1 Å²	91.1	59%	0.594	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-70.3	-20.8	173	-176.9	0	0	0	0	111.8	L757	L757-V759 PolarHBondContact O-N 3.26Å; L757-V759 VanDerWaalsContact O-N 3.14Å
760	F	44.9	Very low	49.3	Very low	51 Å²	51	82.2 Å²	82.2	22%	0.224	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-2.8	-177.7	-58.8	-69.2	0	0	0	114	A531 A532 C535 P631 V724 L757 D758 R762	A531-F760 HydrophobicContact CB-CE2 4.34Å; A532-F760 HydrophobicContact CB-CZ 4.41Å; C535-F760 WeakPolarHBondContact SG-CE1 3.36Å; P631-F760 HydrophobicContact CG-CE1 3.9Å; P631-F760 HydrophobicContact CG-CZ 4.18Å; V724-F760 WeakPolarHBondContact CG2-O 3.43Å; L757-F760 PolarHBondContact O-N 3.17Å; L757-F760 VanDerWaalsContact O-N 3.16Å; D758-F760 PolarHBondContact O-N 3.11Å; F760-R762 PolarHBondContact O-N 3.5Å
761	T	43.2	Very low	52	Low	79 Å²	79	79.3 Å²	79.3	49%	0.485	49%	0.493	S	S	.	.			trans	-78.2	107.7	171	47.5	0	0	0	0	108.4	D758 S763	D758-T761 VanDerWaalsContact CA-OG1 3.23Å; D758-T761 WeakPolarHBondContact CA-OG1 3.37Å; D758-T761 PolarHBondContact O-OG1 2.7Å; D758-T761 PolarHBondContact OD1-OG1 3.32Å; T761-S763 PolarHBondContact O-N 2.78Å
762	R	55.1	Low	55	Low	82 Å²	82	72.7 Å²	72.7	31%	0.309	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-62.7	133.1	170.9	-67.7	-169.5	-172.3	-180	9.7	108.7	D720 L722 F760 A766 Q767	D720-R762 PolarHBondContact O-NE 2.77Å; D720-R762 PolarHBondContact O-NH2 2.88Å; L722-R762 PolarHBondContact O-NH2 3.31Å; F760-R762 PolarHBondContact O-N 3.5Å; R762-A766 HydrophobicContact CB-CB 3.76Å; R762-A766 HydrophobicContact CG-CB 4.4Å; R762-Q767 PolarHBondContact NH1-O 2.94Å; R762-Q767 VanDerWaalsContact NH1-O 3.1Å
763	S	49	Very low	57.9	Low	83 Å²	83	70.6 Å²	70.6	58%	0.58	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-58.4	146.7	174.9	50.8	0	0	0	0	110.7	T761 G765 A766	T761-S763 PolarHBondContact O-N 2.78Å; S763-G765 PolarHBondContact O-N 3.05Å; S763-G765 VanDerWaalsContact O-N 3.15Å; S763-A766 VanDerWaalsContact O-CB 3.24Å; S763-A766 WeakPolarHBondContact O-CB 3.39Å; S763-A766 PolarHBondContact O-N 3.38Å
764	P	48.2	Very low	60.6	Low	141 Å²	141	63.5 Å²	63.5	92%	0.916	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	122.6	168.5	-21.3	31.6	0	0	0	109.3
765	G	54.2	Low	63.4	Low	55 Å²	55	59.8 Å²	59.8	57%	0.567	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	3.4	-173.7	0	0	0	0	0	115.5	S763 V779	S763-G765 PolarHBondContact O-N 3.05Å; S763-G765 VanDerWaalsContact O-N 3.15Å; G765-V779 WeakPolarHBondContact O-CG2 3.46Å
766	A	66	Low	66	Low	27 Å²	27	63.1 Å²	63.1	22%	0.223	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-65.9	144.7	175.3	0	0	0	0	0	112.6	R762 S763 K768	R762-A766 HydrophobicContact CB-CB 3.76Å; R762-A766 HydrophobicContact CG-CB 4.4Å; S763-A766 VanDerWaalsContact O-CB 3.24Å; S763-A766 WeakPolarHBondContact O-CB 3.39Å; S763-A766 PolarHBondContact O-N 3.38Å; A766-K768 PolarHBondContact O-N 2.78Å
767	Q	73.6	Confident	68.4	Low	95 Å²	95	58.8 Å²	58.8	44%	0.444	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-58.6	128.6	172.4	-67.6	-75.4	-25.8	0	0	109.9	R762 G778	R762-Q767 PolarHBondContact NH1-O 2.94Å; R762-Q767 VanDerWaalsContact NH1-O 3.1Å; Q767-G778 VanDerWaalsContact OE1-C 3.32Å
768	K	79.4	Confident	70.5	Confident	64 Å²	64	55.7 Å²	55.7	28%	0.278	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	148.4	167.4	-61.8	-168.1	-166.4	167	0	108.6	A766 M777 G778 P781	A766-K768 PolarHBondContact O-N 2.78Å; K768-M777 HydrophobicContact CB-CB 4.47Å; K768-M777 HydrophobicContact CB-CE 3.65Å; K768-M777 PolarHBondContact O-N 2.84Å; K768-G778 WeakPolarHBondContact CB-O 3.48Å; K768-G778 PolarHBondContact N-O 3.08Å; K768-P781 HydrophobicContact CB-CG 4.36Å; K768-P781 HydrophobicContact CD-CG 3.73Å
769	M	85.3	Confident	72.3	Confident	17 Å²	17	52.3 Å²	52.3	8%	0.084	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.1	179.1	-169.4	176	-78.8	0	0	109.9	W721 N771 I775 H776	W721-M769 VanDerWaalsContact CA-SD 3.58Å; W721-M769 HydrophobicContact CB-CE 3.49Å; W721-M769 VanDerWaalsContact CB-CE 3.49Å; W721-M769 HydrophobicContact CB-CG 4.5Å; W721-M769 HydrophobicContact CB-SD 3.02Å; W721-M769 WeakPolarHBondContact CB-SD 3.47Å; W721-M769 HydrophobicContact CG-SD 4.29Å; M769-N771 PolarHBondContact O-N 3.12Å; M769-I775 WeakPolarHBondContact CA-O 3.46Å; M769-I775 WeakPolarHBondContact CG-O 3.41Å; M769-H776 VanDerWaalsContact CE-NE2 3.29Å; M769-H776 WeakPolarHBondContact CE-NE2 3.23Å
770	D	90.9	Very high	73.9	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	99	160	-169.7	-40	0	0	0	108.5	L772 R773 C774 I775 M777 V794 T795 M796	D770-L772 PolarHBondContact O-N 2.62Å; D770-L772 PolarHBondContact OD1-N 2.9Å; D770-L772 VanDerWaalsContact OD1-N 3.16Å; D770-R773 HydrophobicContact CB-CB 4.12Å; D770-R773 PolarHBondContact O-N 2.87Å; D770-R773 WeakPolarHBondContact OD1-CG 3.38Å; D770-R773 PolarHBondContact OD1-N 3.49Å; D770-R773 IonicContact OD1-NH1 3.78Å; D770-R773 VanDerWaalsContact OD2-CD 3.29Å; D770-R773 WeakPolarHBondContact OD2-CD 3.29Å; D770-R773 WeakPolarHBondContact OD2-CG 3.45Å; D770-R773 IonicContact OD2-CZ 3.62Å; D770-R773 IonicContact OD2-NE 3.82Å; D770-R773 IonicContact OD2-NH1 2.67Å; D770-R773 PolarHBondContact OD2-NH1 2.87Å; D770-C774 WeakPolarHBondContact O-CA 3.3Å; D770-C774 PolarHBondContact O-N 3.24Å; D770-I775 HydrophobicContact CB-CG1 3.7Å; D770-I775 PolarHBondContact N-O 2.82Å; D770-I775 PolarHBondContact O-N 2.86Å; D770-M777 HydrophobicContact CB-CG 4.02Å; D770-M777 HydrophobicContact CB-SD 3.89Å; D770-V794 CarbonylContact C-O 3.54Å; D770-V794 WeakPolarHBondContact CA-O 3.37Å; D770-T795 VanDerWaalsContact CG-OG1 3.24Å; D770-T795 WeakPolarHBondContact OD1-CA 3.42Å; D770-T795 VanDerWaalsContact OD1-CB 3.29Å; D770-T795 WeakPolarHBondContact OD1-CB 3.43Å; D770-T795 PolarHBondContact OD1-OG1 3.18Å; D770-T795 PolarHBondContact OD2-OG1 3.39Å; D770-T795 VanDerWaalsContact OD2-OG1 3.07Å; D770-M796 PolarHBondContact OD2-N 2.76Å
771	N	91.3	Very high	75.5	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.053	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.5	-174.9	-61.7	101.6	0	0	0	113.2	W721 M769 C793 V794	W721-N771 PolarHBondContact O-ND2 3.05Å; M769-N771 PolarHBondContact O-N 3.12Å; N771-C793 HydrophobicContact CB-CB 4.33Å; N771-C793 WeakPolarHBondContact CB-SG 3.48Å; N771-V794 PolarHBondContact N-O 3.33Å; N771-V794 PolarHBondContact OD1-N 2.86Å; N771-V794 PolarHBondContact OD1-O 3.3Å
772	L	91.4	Very high	77.2	Confident	10 Å²	10	52.6 Å²	52.6	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-34.1	177.7	-68.5	-173.8	0	0	0	112.4	D770 T795 W809 W813 L818 W823	D770-L772 PolarHBondContact O-N 2.62Å; D770-L772 PolarHBondContact OD1-N 2.9Å; D770-L772 VanDerWaalsContact OD1-N 3.16Å; L772-T795 HydrophobicContact CD1-CG2 3.81Å; L772-T795 HydrophobicContact CG-CG2 4.37Å; L772-W809 VanDerWaalsContact O-CZ2 3.29Å; L772-W809 WeakPolarHBondContact O-CZ2 3.2Å; L772-W809 PolarHBondContact O-NE1 2.96Å; L772-W813 HydrophobicContact CD1-CB 3.77Å; L772-W813 HydrophobicContact CD1-CG 4.24Å; L772-W813 HydrophobicContact CD2-CG 4.38Å; L772-L818 HydrophobicContact CD2-CD1 3.75Å; L772-L818 HydrophobicContact CD2-CG 3.79Å; L772-W823 HydrophobicContact CD1-CH2 3.8Å; L772-W823 HydrophobicContact CD1-CZ2 3.7Å; L772-W823 HydrophobicContact CD2-CH2 4.49Å; L772-W823 HydrophobicContact CG-CH2 4.15Å; L772-W823 HydrophobicContact CG-CZ2 4.46Å
773	R	90.5	Very high	78.6	Confident	15 Å²	15	53.3 Å²	53.3	6%	0.057	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.2	-178.9	-59.4	-172.6	174.9	86.1	0.5	112.4	Q606 D770 I775 T795 M796 M806 E810	Q606-R773 WeakPolarHBondContact CB-O 3.21Å; D770-R773 HydrophobicContact CB-CB 4.12Å; D770-R773 PolarHBondContact O-N 2.87Å; D770-R773 WeakPolarHBondContact OD1-CG 3.38Å; D770-R773 PolarHBondContact OD1-N 3.49Å; D770-R773 IonicContact OD1-NH1 3.78Å; D770-R773 VanDerWaalsContact OD2-CD 3.29Å; D770-R773 WeakPolarHBondContact OD2-CD 3.29Å; D770-R773 WeakPolarHBondContact OD2-CG 3.45Å; D770-R773 IonicContact OD2-CZ 3.62Å; D770-R773 IonicContact OD2-NE 3.82Å; D770-R773 IonicContact OD2-NH1 2.67Å; D770-R773 PolarHBondContact OD2-NH1 2.87Å; R773-I775 VanDerWaalsContact C-N 3.3Å; R773-I775 HydrophobicContact CB-CD1 4.17Å; R773-I775 HydrophobicContact CB-CG1 3.85Å; R773-I775 PolarHBondContact O-N 3.42Å; R773-T795 PolarHBondContact NH1-OG1 2.89Å; R773-M796 VanDerWaalsContact NH1-N 3.17Å; R773-M796 PolarHBondContact NH1-O 2.81Å; R773-M796 PolarHBondContact NH2-O 2.9Å; R773-M806 HydrophobicContact CB-CE 4.01Å; R773-M806 HydrophobicContact CG-CE 3.51Å; R773-E810 IonicContact CZ-OE1 3.7Å; R773-E810 IonicContact NE-OE1 3.97Å; R773-E810 PolarHBondContact NE-OE1 2.67Å; R773-E810 VanDerWaalsContact NH2-CD 3.29Å; R773-E810 IonicContact NH2-OE1 2.62Å; R773-E810 PolarHBondContact NH2-OE1 2.7Å; R773-E810 IonicContact NH2-OE2 3.77Å
774	C	91.1	Very high	80.5	Confident	13 Å²	13	54.4 Å²	54.4	9%	0.088	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	42.2	-175	-55.2	0	0	0	0	112.3	W610 D770	W610-C774 HydrophobicContact CB-CB 4.09Å; W610-C774 HydrophobicContact CG-CB 4.37Å; D770-C774 WeakPolarHBondContact O-CA 3.3Å; D770-C774 PolarHBondContact O-N 3.24Å
775	I	88.8	Confident	82.6	Confident	33 Å²	33	48 Å²	48	17%	0.169	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.3	179.7	60.2	174.5	0	0	0	112.4	Q606 M769 D770 R773 M796	Q606-I775 HydrophobicContact CB-CG2 3.95Å; Q606-I775 VanDerWaalsContact CD-CG2 3.41Å; Q606-I775 HydrophobicContact CG-CG2 3.4Å; Q606-I775 VanDerWaalsContact CG-CG2 3.4Å; M769-I775 WeakPolarHBondContact CA-O 3.46Å; M769-I775 WeakPolarHBondContact CG-O 3.41Å; D770-I775 HydrophobicContact CB-CG1 3.7Å; D770-I775 PolarHBondContact N-O 2.82Å; D770-I775 PolarHBondContact O-N 2.86Å; R773-I775 VanDerWaalsContact C-N 3.3Å; R773-I775 HydrophobicContact CB-CD1 4.17Å; R773-I775 HydrophobicContact CB-CG1 3.85Å; R773-I775 PolarHBondContact O-N 3.42Å; I775-M796 HydrophobicContact CD1-CE 3.4Å; I775-M796 HydrophobicContact CG1-CE 4.32Å
776	H	87.5	Confident	84.4	Confident	125 Å²	125	46.3 Å²	46.3	58%	0.579	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.1	171.8	-63.4	94.8	0	0	0	110.2	M769	M769-H776 VanDerWaalsContact CE-NE2 3.29Å; M769-H776 WeakPolarHBondContact CE-NE2 3.23Å
777	M	84.8	Confident	85.7	Confident	18 Å²	18	45.1 Å²	45.1	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	6	179.3	-53.7	-175	-58.8	0	0	112.5	K768 D770 P781 V794 M796	K768-M777 HydrophobicContact CB-CB 4.47Å; K768-M777 HydrophobicContact CB-CE 3.65Å; K768-M777 PolarHBondContact O-N 2.84Å; D770-M777 HydrophobicContact CB-CG 4.02Å; D770-M777 HydrophobicContact CB-SD 3.89Å; M777-P781 HydrophobicContact CB-CB 3.91Å; M777-P781 HydrophobicContact CB-CG 4.41Å; M777-P781 HydrophobicContact CE-CG 4.41Å; M777-P781 WeakPolarHBondContact O-CB 3.25Å; M777-V794 HydrophobicContact CE-CG1 3.76Å; M777-M796 HydrophobicContact SD-CG 3.82Å
778	G	83.3	Confident	86.6	Confident	24 Å²	24	40.6 Å²	40.6	25%	0.247	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	174.2	-171.2	0	0	0	0	0	112.8	Q767 K768	Q767-G778 VanDerWaalsContact OE1-C 3.32Å; K768-G778 WeakPolarHBondContact CB-O 3.48Å; K768-G778 PolarHBondContact N-O 3.08Å
779	V	79.1	Confident	87.2	Confident	59 Å²	59	37.9 Å²	37.9	36%	0.358	21%	0.211	S	C	.	.	S	Bend	trans	-71.6	-40.1	175.3	-179.6	0	0	0	0	111.2	G765 P781	G765-V779 WeakPolarHBondContact O-CG2 3.46Å; V779-P781 WeakPolarHBondContact O-CD 3.46Å
780	S	74.9	Confident	87.4	Confident	90 Å²	90	38.3 Å²	38.3	63%	0.629	21%	0.212	S	C	*	.	S	Bend	trans	-125.9	74.8	-177.8	-59.6	0	0	0	0	109.7	T782	S780-T782 PolarHBondContact O-N 3.23Å
781	P	77.5	Confident	87.4	Confident	13 Å²	13	38.3 Å²	38.3	8%	0.084	21%	0.212	C	C	.	.			trans	-59.6	136.7	178.1	24	-32.9	0	0	0	110.6	K768 M777 V779	K768-P781 HydrophobicContact CB-CG 4.36Å; K768-P781 HydrophobicContact CD-CG 3.73Å; M777-P781 HydrophobicContact CB-CB 3.91Å; M777-P781 HydrophobicContact CB-CG 4.41Å; M777-P781 HydrophobicContact CE-CG 4.41Å; M777-P781 WeakPolarHBondContact O-CB 3.25Å; V779-P781 WeakPolarHBondContact O-CD 3.46Å
782	T	80.4	Confident	87.3	Confident	131 Å²	131	38.3 Å²	38.3	80%	0.804	21%	0.214	S	C	*	.			trans	-92.2	-16.3	176.6	60.9	0	0	0	0	111.6	S780	S780-T782 PolarHBondContact O-N 3.23Å
783	E	84	Confident	87.3	Confident	96 Å²	96	38 Å²	38	45%	0.449	21%	0.213	S	C	.	.	S	Bend	trans	-74.7	133	-177.3	-62	80.9	177.3	0	0	111.2	S785 M796	E783-S785 PolarHBondContact O-N 2.99Å; E783-S785 PolarHBondContact O-OG 3.46Å; E783-M796 HydrophobicContact CB-CG 4.19Å; E783-M796 HydrophobicContact CB-SD 4.01Å; E783-M796 HydrophobicContact CG-SD 4Å
784	E	89.4	Confident	87.3	Confident	107 Å²	107	38.6 Å²	38.6	50%	0.5	22%	0.218	S	C	.	.			trans	-55.9	130	170.9	-67	-174.5	168.1	0	0	110.4	L797	E784-L797 HydrophobicContact CB-CB 4.17Å; E784-L797 WeakPolarHBondContact O-CB 3.33Å; E784-L797 PolarHBondContact O-N 3.41Å
785	S	90.9	Very high	87.4	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.5	-172.8	-64.3	0	0	0	0	111	E783 T795 M826	E783-S785 PolarHBondContact O-N 2.99Å; E783-S785 PolarHBondContact O-OG 3.46Å; S785-T795 WeakPolarHBondContact CA-O 3.25Å; S785-M826 VanDerWaalsContact CB-CE 3.41Å; S785-M826 PolarHBondContact O-N 3.07Å
786	K	92.6	Very high	87.5	Confident	19 Å²	19	37.2 Å²	37.2	8%	0.083	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148	175.2	63.4	-175.8	-171.5	169.3	0	110.3	L105 V794 T795 I814 W823 R824	L105-K786 HydrophobicContact CD2-CB 4.01Å; L105-K786 HydrophobicContact CD2-CD 3.9Å; K786-V794 WeakPolarHBondContact O-CA 3.41Å; K786-T795 HydrophobicContact CD-CG2 4.15Å; K786-T795 VanDerWaalsContact CE-CG2 3.46Å; K786-T795 HydrophobicContact CG-CG2 3.57Å; K786-T795 PolarHBondContact N-O 2.99Å; K786-T795 PolarHBondContact O-N 3.39Å; K786-I814 PolarHBondContact NZ-O 3.08Å; K786-W823 HydrophobicContact CB-CE3 4.41Å; K786-W823 HydrophobicContact CD-CB 3.97Å; K786-W823 HydrophobicContact CD-CD2 3.92Å; K786-W823 HydrophobicContact CD-CE3 4.11Å; K786-W823 HydrophobicContact CD-CG 3.84Å; K786-W823 HydrophobicContact CG-CD2 4.17Å; K786-W823 HydrophobicContact CG-CE3 3.82Å; K786-W823 HydrophobicContact CG-CG 4.47Å; K786-W823 HydrophobicContact CG-CZ3 4.41Å; K786-R824 CarbonylContact C-O 3.48Å; K786-R824 WeakPolarHBondContact CA-O 3.49Å; K786-R824 VanDerWaalsContact CB-O 3.29Å; K786-R824 WeakPolarHBondContact CB-O 3.35Å
787	A	92.3	Very high	87.6	Confident	3 Å²	3	32.8 Å²	32.8	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.7	178.1	0	0	0	0	0	110.8	C793 V794 R824 M826	A787-C793 CarbonylContact C-O 3.52Å; A787-C793 VanDerWaalsContact CA-O 3.24Å; A787-C793 WeakPolarHBondContact CA-O 3.39Å; A787-V794 HydrophobicContact CB-CG2 4.33Å; A787-R824 HydrophobicContact CB-CG 4.25Å; A787-R824 PolarHBondContact N-O 3.31Å; A787-R824 WeakPolarHBondContact O-CG 3.48Å; A787-R824 PolarHBondContact O-N 2.8Å; A787-M826 HydrophobicContact CB-CG 3.74Å; A787-M826 HydrophobicContact CB-SD 3.83Å
788	C	93.8	Very high	87.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130	173.5	177.9	0	0	0	0	110.3	R790 C791 G792 C793 C817 C819 L822 W823	C788-R790 VanDerWaalsContact C-N 3.26Å; C788-R790 PolarHBondContact O-N 2.87Å; C788-R790 PolarHBondContact SG-N 2.92Å; C788-R790 VanDerWaalsContact SG-N 3.39Å; C788-C791 VanDerWaalsContact SG-SG 3.68Å; C788-G792 VanDerWaalsContact O-CA 3.3Å; C788-G792 WeakPolarHBondContact O-CA 3.48Å; C788-G792 PolarHBondContact O-N 3.49Å; C788-C793 HydrophobicContact CB-CB 3.95Å; C788-C793 PolarHBondContact N-O 2.86Å; C788-C817 HydrophobicContact CB-CB 3.62Å; C788-C817 WeakPolarHBondContact SG-CB 3.46Å; C788-C819 PolarHBondContact SG-SG 3.1Å; C788-L822 CarbonylContact C-O 3.56Å; C788-L822 VanDerWaalsContact CA-O 3.3Å; C788-L822 WeakPolarHBondContact CA-O 3.39Å; C788-W823 HydrophobicContact CB-CE3 4.19Å; C788-W823 HydrophobicContact CB-CH2 4.46Å; C788-W823 HydrophobicContact CB-CZ3 3.9Å
789	T	91.1	Very high	87.4	Confident	6 Å²	6	41.3 Å²	41.3	4%	0.037	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-24	179	65.1	0	0	0	0	113.1	D57 E59 H60 V106 L822 R824	D57-T789 WeakPolarHBondContact OD2-CB 3.45Å; D57-T789 VanDerWaalsContact OD2-CG2 3.25Å; D57-T789 WeakPolarHBondContact OD2-CG2 3.3Å; D57-T789 PolarHBondContact OD2-OG1 2.89Å; E59-T789 VanDerWaalsContact CG-O 3.27Å; E59-T789 WeakPolarHBondContact CG-O 2.81Å; H60-T789 PolarHBondContact CE1-O 2.58Å; V106-T789 HydrophobicContact CG2-CG2 4.11Å; T789-L822 PolarHBondContact N-O 3.34Å; T789-R824 HydrophobicContact CG2-CB 4.16Å; T789-R824 HydrophobicContact CG2-CG 4.15Å
790	R	90.9	Very high	87.2	Confident	26 Å²	26	42.9 Å²	42.9	10%	0.098	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-34	-178.6	-171.1	-179	-63.3	158.7	-3.5	114.8	D477 K525 N725 C788 C819 G820	D477-R790 IonicContact OD1-NH2 2.92Å; D477-R790 IonicContact OD2-CZ 3.93Å; D477-R790 IonicContact OD2-NH2 2.71Å; D477-R790 PolarHBondContact OD2-NH2 2.84Å; K525-R790 PolarHBondContact NZ-O 3.3Å; N725-R790 PolarHBondContact ND2-O 3.25Å; C788-R790 VanDerWaalsContact C-N 3.26Å; C788-R790 PolarHBondContact O-N 2.87Å; C788-R790 PolarHBondContact SG-N 2.92Å; C788-R790 VanDerWaalsContact SG-N 3.39Å; R790-C819 PolarHBondContact NH1-O 2.94Å; R790-G820 VanDerWaalsContact NH1-C 3.34Å
791	C	90	Very high	87.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-11.2	-176.6	67.9	0	0	0	0	115.3	H538 P723 V724 N725 C788 C793 C819	H538-C791 WeakPolarHBondContact NE2-CB 3.36Å; P723-C791 HydrophobicContact CB-CB 4.48Å; P723-C791 WeakPolarHBondContact CB-O 2.81Å; P723-C791 HydrophobicContact CG-CB 4.4Å; V724-C791 CarbonylContact C-O 3.51Å; N725-C791 PolarHBondContact N-O 3.39Å; C788-C791 VanDerWaalsContact SG-SG 3.68Å; C791-C793 PolarHBondContact O-N 3.15Å; C791-C793 WeakPolarHBondContact SG-CB 3.13Å; C791-C793 PolarHBondContact SG-N 3.34Å; C791-C793 VanDerWaalsContact SG-N 3.44Å; C791-C819 HydrophobicContact CB-CB 4.34Å; C791-C819 PolarHBondContact SG-SG 2.82Å
792	G	89.3	Confident	87.1	Confident	9 Å²	9	48.8 Å²	48.8	9%	0.093	25%	0.246	C	C	.	.			trans	70.9	13.8	-174.2	0	0	0	0	0	113.9	V724 C788 V794	V724-G792 WeakPolarHBondContact O-CA 3.44Å; C788-G792 VanDerWaalsContact O-CA 3.3Å; C788-G792 WeakPolarHBondContact O-CA 3.48Å; C788-G792 PolarHBondContact O-N 3.49Å; G792-V794 WeakPolarHBondContact O-CG2 3.12Å; G792-V794 PolarHBondContact O-N 3.46Å
793	C	91.3	Very high	87.4	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.027	22%	0.22	C	C	.	.			trans	-53.8	125.7	167.3	172.5	0	0	0	0	109.2	P723 N771 A787 C788 C791 C817 W823	P723-C793 HydrophobicContact CB-CB 3.95Å; N771-C793 HydrophobicContact CB-CB 4.33Å; N771-C793 WeakPolarHBondContact CB-SG 3.48Å; A787-C793 CarbonylContact C-O 3.52Å; A787-C793 VanDerWaalsContact CA-O 3.24Å; A787-C793 WeakPolarHBondContact CA-O 3.39Å; C788-C793 HydrophobicContact CB-CB 3.95Å; C788-C793 PolarHBondContact N-O 2.86Å; C791-C793 PolarHBondContact O-N 3.15Å; C791-C793 WeakPolarHBondContact SG-CB 3.13Å; C791-C793 PolarHBondContact SG-N 3.34Å; C791-C793 VanDerWaalsContact SG-N 3.44Å; C793-C817 WeakPolarHBondContact CB-SG 3.43Å; C793-C817 VanDerWaalsContact SG-SG 3.63Å; C793-W823 WeakPolarHBondContact O-CZ3 3.41Å
794	V	91.4	Very high	87.5	Confident	27 Å²	27	45.7 Å²	45.7	16%	0.164	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141	179.1	-178.1	0	0	0	0	109	D770 N771 M777 K786 A787 G792 M826	D770-V794 CarbonylContact C-O 3.54Å; D770-V794 WeakPolarHBondContact CA-O 3.37Å; N771-V794 PolarHBondContact N-O 3.33Å; N771-V794 PolarHBondContact OD1-N 2.86Å; N771-V794 PolarHBondContact OD1-O 3.3Å; M777-V794 HydrophobicContact CE-CG1 3.76Å; K786-V794 WeakPolarHBondContact O-CA 3.41Å; A787-V794 HydrophobicContact CB-CG2 4.33Å; G792-V794 WeakPolarHBondContact O-CG2 3.12Å; G792-V794 PolarHBondContact O-N 3.46Å; V794-M826 HydrophobicContact CG1-CE 3.43Å; V794-M826 VanDerWaalsContact CG1-CE 3.43Å; V794-M826 HydrophobicContact CG1-SD 4.23Å; V794-M826 HydrophobicContact CG2-CE 4.36Å; V794-M826 HydrophobicContact CG2-SD 4.16Å
795	T	92	Very high	87.4	Confident	3 Å²	3	41 Å²	41	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.2	174	-168.4	0	0	0	0	110.2	D770 L772 R773 S785 K786 W823	D770-T795 VanDerWaalsContact CG-OG1 3.24Å; D770-T795 WeakPolarHBondContact OD1-CA 3.42Å; D770-T795 VanDerWaalsContact OD1-CB 3.29Å; D770-T795 WeakPolarHBondContact OD1-CB 3.43Å; D770-T795 PolarHBondContact OD1-OG1 3.18Å; D770-T795 PolarHBondContact OD2-OG1 3.39Å; D770-T795 VanDerWaalsContact OD2-OG1 3.07Å; L772-T795 HydrophobicContact CD1-CG2 3.81Å; L772-T795 HydrophobicContact CG-CG2 4.37Å; R773-T795 PolarHBondContact NH1-OG1 2.89Å; S785-T795 WeakPolarHBondContact CA-O 3.25Å; K786-T795 HydrophobicContact CD-CG2 4.15Å; K786-T795 VanDerWaalsContact CE-CG2 3.46Å; K786-T795 HydrophobicContact CG-CG2 3.57Å; K786-T795 PolarHBondContact N-O 2.99Å; K786-T795 PolarHBondContact O-N 3.39Å; T795-W823 HydrophobicContact CG2-CE3 4.41Å; T795-W823 HydrophobicContact CG2-CH2 3.84Å; T795-W823 HydrophobicContact CG2-CZ2 4.35Å; T795-W823 HydrophobicContact CG2-CZ3 3.86Å
796	M	90.9	Very high	87.3	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	142.2	174.9	-64.5	179.1	-74.1	0	0	110.6	D770 R773 I775 M777 E783 R798 P800	D770-M796 PolarHBondContact OD2-N 2.76Å; R773-M796 VanDerWaalsContact NH1-N 3.17Å; R773-M796 PolarHBondContact NH1-O 2.81Å; R773-M796 PolarHBondContact NH2-O 2.9Å; I775-M796 HydrophobicContact CD1-CE 3.4Å; I775-M796 HydrophobicContact CG1-CE 4.32Å; M777-M796 HydrophobicContact SD-CG 3.82Å; E783-M796 HydrophobicContact CB-CG 4.19Å; E783-M796 HydrophobicContact CB-SD 4.01Å; E783-M796 HydrophobicContact CG-SD 4Å; M796-R798 WeakPolarHBondContact CB-O 3.43Å; M796-P800 HydrophobicContact CE-CG 3.89Å
797	L	89.2	Confident	87.2	Confident	32 Å²	32	45 Å²	45	17%	0.168	23%	0.226	C	C	.	.	S	Bend	trans	-71.6	-35.6	-178.3	-164.4	138.7	0	0	0	111.2	L105 E784 R825	L105-L797 HydrophobicContact CD1-CD1 3.88Å; E784-L797 HydrophobicContact CB-CB 4.17Å; E784-L797 WeakPolarHBondContact O-CB 3.33Å; E784-L797 PolarHBondContact O-N 3.41Å; L797-R825 HydrophobicContact CD1-CG 4.16Å
798	R	85.6	Confident	87.1	Confident	185 Å²	185	50.4 Å²	50.4	70%	0.698	25%	0.251	S	S	*	.	S	Bend	trans	-112.6	140.2	174.1	-61.6	-176.1	-177.4	-179.5	1.8	110.3	M796	M796-R798 WeakPolarHBondContact CB-O 3.43Å
799	S	79.1	Confident	87	Confident	36 Å²	36	50.5 Å²	50.5	25%	0.252	25%	0.251	S	S	.	.			trans	-77.6	135.8	176.8	-163.9	0	0	0	0	111.6	N801 E810	S799-N801 PolarHBondContact OG-N 2.63Å; S799-N801 PolarHBondContact OG-O 2.84Å; S799-E810 WeakPolarHBondContact CB-OE1 3.31Å; S799-E810 WeakPolarHBondContact CB-OE2 3.39Å; S799-E810 PolarHBondContact OG-OE1 3.14Å; S799-E810 PolarHBondContact OG-OE2 3.46Å
800	P	74.4	Confident	87	Confident	92 Å²	92	51.9 Å²	51.9	60%	0.597	26%	0.257	S	S	*	.	S	Bend	trans	-72.4	-20.2	166.8	30.8	-34.8	0	0	0	112	M796	M796-P800 HydrophobicContact CE-CG 3.89Å
801	N	73.4	Confident	87	Confident	55 Å²	55	56.4 Å²	56.4	29%	0.294	28%	0.279	S	S	.	.			trans	-105	136.3	-173.4	-161.5	-22.3	0	0	0	111.8	S603 S799 T803 M806	S603-N801 WeakPolarHBondContact CB-ND2 3.08Å; S799-N801 PolarHBondContact OG-N 2.63Å; S799-N801 PolarHBondContact OG-O 2.84Å; N801-T803 WeakPolarHBondContact OD1-CG2 3.44Å; N801-T803 PolarHBondContact OD1-N 3.39Å; N801-M806 HydrophobicContact CB-CB 4.36Å; N801-M806 HydrophobicContact CB-CG 4.07Å
802	K	77.7	Confident	87.1	Confident	172 Å²	172	61.2 Å²	61.2	75%	0.748	30%	0.298	S	S	*	.			trans	-106.2	0.5	-175	-65.6	-175.8	-179	177.3	0	114.4	K807	K802-K807 WeakPolarHBondContact O-CE 3.26Å; K802-K807 PolarHBondContact O-NZ 2.98Å; K802-K807 VanDerWaalsContact O-NZ 3.14Å
803	T	86.1	Confident	87.4	Confident	39 Å²	39	63 Å²	63	24%	0.239	30%	0.301	C	S	.	.			trans	-65	151.6	179.9	66.2	0	0	0	0	112.4	S603 N801 A805 M806 K807	S603-T803 WeakPolarHBondContact CB-OG1 3.47Å; S603-T803 PolarHBondContact OG-OG1 2.8Å; N801-T803 WeakPolarHBondContact OD1-CG2 3.44Å; N801-T803 PolarHBondContact OD1-N 3.39Å; T803-A805 VanDerWaalsContact C-N 3.33Å; T803-A805 PolarHBondContact O-N 3.48Å; T803-M806 PolarHBondContact O-N 2.98Å; T803-M806 WeakPolarHBondContact OG1-CB 3.31Å; T803-M806 PolarHBondContact OG1-N 3.29Å; T803-K807 WeakPolarHBondContact O-CG 3.38Å; T803-K807 PolarHBondContact O-N 2.89Å
804	N	86.4	Confident	87.4	Confident	123 Å²	123	65.5 Å²	65.5	66%	0.658	31%	0.314	S	S	*	.	H	α-helix	trans	-64.4	-36.7	179.1	-72.6	-17.3	0	0	0	112.6	K807 Q808	N804-K807 PolarHBondContact O-N 2.78Å; N804-Q808 WeakPolarHBondContact O-CB 3.46Å; N804-Q808 WeakPolarHBondContact O-CG 3.44Å; N804-Q808 PolarHBondContact O-N 3.1Å
805	A	87.3	Confident	87.5	Confident	9 Å²	9	69.7 Å²	69.7	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-46.5	178.6	0	0	0	0	0	111.8	P600 L604 T803 Q808 W809	P600-A805 HydrophobicContact CB-CB 4.05Å; L604-A805 HydrophobicContact CD1-CB 4.19Å; L604-A805 HydrophobicContact CG-CB 4.29Å; T803-A805 VanDerWaalsContact C-N 3.33Å; T803-A805 PolarHBondContact O-N 3.48Å; A805-Q808 PolarHBondContact O-N 3.28Å; A805-W809 PolarHBondContact O-N 2.94Å
806	M	89.3	Confident	87.6	Confident	13 Å²	13	72.2 Å²	72.2	6%	0.064	34%	0.343	C	S	.	.	H	α-helix	trans	-67.4	-39.1	177.5	-168.5	60.6	-178.4	0	0	112	L604 R773 N801 T803 Q808 W809 E810	L604-M806 HydrophobicContact CD2-SD 4.15Å; R773-M806 HydrophobicContact CB-CE 4.01Å; R773-M806 HydrophobicContact CG-CE 3.51Å; N801-M806 HydrophobicContact CB-CB 4.36Å; N801-M806 HydrophobicContact CB-CG 4.07Å; T803-M806 PolarHBondContact O-N 2.98Å; T803-M806 WeakPolarHBondContact OG1-CB 3.31Å; T803-M806 PolarHBondContact OG1-N 3.29Å; M806-Q808 VanDerWaalsContact C-N 3.32Å; M806-Q808 PolarHBondContact O-N 2.91Å; M806-W809 WeakPolarHBondContact O-CB 3.4Å; M806-W809 PolarHBondContact O-N 3.07Å; M806-W809 HydrophobicContact SD-CB 4.42Å; M806-W809 HydrophobicContact SD-CG 4.43Å; M806-E810 HydrophobicContact CE-CG 4.23Å; M806-E810 WeakPolarHBondContact O-CG 2.99Å; M806-E810 PolarHBondContact O-N 2.88Å
807	K	89.3	Confident	87.8	Confident	94 Å²	94	71.7 Å²	71.7	41%	0.409	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-44.4	172.3	-74.3	173	-179.8	167.4	0	111.7	K802 T803 N804 W809 E810 Q811	K802-K807 WeakPolarHBondContact O-CE 3.26Å; K802-K807 PolarHBondContact O-NZ 2.98Å; K802-K807 VanDerWaalsContact O-NZ 3.14Å; T803-K807 WeakPolarHBondContact O-CG 3.38Å; T803-K807 PolarHBondContact O-N 2.89Å; N804-K807 PolarHBondContact O-N 2.78Å; K807-W809 VanDerWaalsContact C-N 3.35Å; K807-W809 PolarHBondContact O-N 3.02Å; K807-E810 PolarHBondContact O-N 2.78Å; K807-Q811 WeakPolarHBondContact O-CB 3.42Å; K807-Q811 WeakPolarHBondContact O-CG 3.11Å; K807-Q811 PolarHBondContact O-N 2.78Å
808	Q	89.6	Confident	88	Confident	118 Å²	118	71.3 Å²	71.3	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-63.2	-39.1	177.9	-76.5	178.3	-7.8	0	0	112.5	N804 A805 M806 R812	N804-Q808 WeakPolarHBondContact O-CB 3.46Å; N804-Q808 WeakPolarHBondContact O-CG 3.44Å; N804-Q808 PolarHBondContact O-N 3.1Å; A805-Q808 PolarHBondContact O-N 3.28Å; M806-Q808 VanDerWaalsContact C-N 3.32Å; M806-Q808 PolarHBondContact O-N 2.91Å; Q808-R812 WeakPolarHBondContact O-CG 3.43Å
809	W	92.6	Very high	88.4	Confident	1 Å²	1	62.6 Å²	62.6	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-53.3	171.6	168	-107.9	0	0	0	111.2	L542 A545 I546 T549 L607 L772 A805 M806 K807 Q811 R812 W813	L542-W809 HydrophobicContact CD1-CH2 4.09Å; L542-W809 HydrophobicContact CD1-CZ2 4.12Å; A545-W809 HydrophobicContact CB-CH2 3.65Å; A545-W809 HydrophobicContact CB-CZ3 3.81Å; I546-W809 HydrophobicContact CG1-CH2 3.92Å; I546-W809 HydrophobicContact CG1-CZ3 4.4Å; T549-W809 HydrophobicContact CG2-CE3 3.95Å; T549-W809 WeakPolarHBondContact OG1-CZ3 3.49Å; L607-W809 HydrophobicContact CD1-CD2 3.84Å; L607-W809 HydrophobicContact CD1-CE3 4.02Å; L607-W809 HydrophobicContact CD1-CG 4.3Å; L607-W809 HydrophobicContact CD1-CH2 4.3Å; L607-W809 HydrophobicContact CD1-CZ2 4.16Å; L607-W809 HydrophobicContact CD1-CZ3 4.23Å; L607-W809 HydrophobicContact CD2-CZ2 3.98Å; L772-W809 VanDerWaalsContact O-CZ2 3.29Å; L772-W809 WeakPolarHBondContact O-CZ2 3.2Å; L772-W809 PolarHBondContact O-NE1 2.96Å; A805-W809 PolarHBondContact O-N 2.94Å; M806-W809 WeakPolarHBondContact O-CB 3.4Å; M806-W809 PolarHBondContact O-N 3.07Å; M806-W809 HydrophobicContact SD-CB 4.42Å; M806-W809 HydrophobicContact SD-CG 4.43Å; K807-W809 VanDerWaalsContact C-N 3.35Å; K807-W809 PolarHBondContact O-N 3.02Å; W809-Q811 PolarHBondContact O-N 2.91Å; W809-R812 WeakPolarHBondContact O-CB 3.36Å; W809-R812 PolarHBondContact O-N 2.88Å; W809-W813 AromaticContact CD2-NE1 3.7Å; W809-W813 AromaticContact CE2-NE1 3.65Å; W809-W813 AromaticContact CE3-NE1 3.75Å; W809-W813 AromaticContact CH2-NE1 3.81Å; W809-W813 AromaticContact CZ2-NE1 3.71Å; W809-W813 HydrophobicContact CZ3-CZ2 4.38Å; W809-W813 AromaticContact CZ3-NE1 3.81Å; W809-W813 PolarHBondContact O-NE1 3.32Å
810	E	91.1	Very high	89.1	Confident	36 Å²	36	62.5 Å²	62.5	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-67.1	-36.4	-175.3	-67.8	174.8	168.2	0	0	113.3	R773 S799 M806 K807 R812 W813 I814	R773-E810 IonicContact CZ-OE1 3.7Å; R773-E810 IonicContact NE-OE1 3.97Å; R773-E810 PolarHBondContact NE-OE1 2.67Å; R773-E810 VanDerWaalsContact NH2-CD 3.29Å; R773-E810 IonicContact NH2-OE1 2.62Å; R773-E810 PolarHBondContact NH2-OE1 2.7Å; R773-E810 IonicContact NH2-OE2 3.77Å; S799-E810 WeakPolarHBondContact CB-OE1 3.31Å; S799-E810 WeakPolarHBondContact CB-OE2 3.39Å; S799-E810 PolarHBondContact OG-OE1 3.14Å; S799-E810 PolarHBondContact OG-OE2 3.46Å; M806-E810 HydrophobicContact CE-CG 4.23Å; M806-E810 WeakPolarHBondContact O-CG 2.99Å; M806-E810 PolarHBondContact O-N 2.88Å; K807-E810 PolarHBondContact O-N 2.78Å; E810-R812 PolarHBondContact O-N 3.36Å; E810-W813 CarbonylContact O-C 3.17Å; E810-W813 PolarHBondContact O-N 2.92Å; E810-I814 PolarHBondContact O-N 3.4Å
811	Q	91.2	Very high	90	Very high	120 Å²	120	58.2 Å²	58.2	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-60.8	-28.2	178.7	-74.4	-63.2	-32.5	0	0	112.6	K807 W809 W813 I814	K807-Q811 WeakPolarHBondContact O-CB 3.42Å; K807-Q811 WeakPolarHBondContact O-CG 3.11Å; K807-Q811 PolarHBondContact O-N 2.78Å; W809-Q811 PolarHBondContact O-N 2.91Å; Q811-W813 PolarHBondContact O-N 2.94Å; Q811-I814 WeakPolarHBondContact O-CG2 3.47Å
812	R	92.9	Very high	91	Very high	103 Å²	103	56 Å²	56	39%	0.389	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-28.9	174.5	-64.5	175.6	-176.2	-149.8	3	112.3	S548 T549 S552 Q808 W809 E810	S548-R812 PolarHBondContact OG-NH1 3.05Å; S548-R812 VanDerWaalsContact OG-NH1 3.11Å; T549-R812 PolarHBondContact OG1-NH1 2.72Å; S552-R812 PolarHBondContact OG-NH2 3.19Å; Q808-R812 WeakPolarHBondContact O-CG 3.43Å; W809-R812 WeakPolarHBondContact O-CB 3.36Å; W809-R812 PolarHBondContact O-N 2.88Å; E810-R812 PolarHBondContact O-N 3.36Å
813	W	94.2	Very high	91.8	Very high	46 Å²	46	47.8 Å²	47.8	17%	0.174	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	11.8	-172.9	-43.6	116.8	0	0	0	112.8	A545 L772 W809 E810 Q811 K815 N816 L818 W823	A545-W813 HydrophobicContact CB-CH2 3.91Å; A545-W813 HydrophobicContact CB-CZ2 3.45Å; A545-W813 VanDerWaalsContact CB-CZ2 3.45Å; L772-W813 HydrophobicContact CD1-CB 3.77Å; L772-W813 HydrophobicContact CD1-CG 4.24Å; L772-W813 HydrophobicContact CD2-CG 4.38Å; W809-W813 AromaticContact CD2-NE1 3.7Å; W809-W813 AromaticContact CE2-NE1 3.65Å; W809-W813 AromaticContact CE3-NE1 3.75Å; W809-W813 AromaticContact CH2-NE1 3.81Å; W809-W813 AromaticContact CZ2-NE1 3.71Å; W809-W813 HydrophobicContact CZ3-CZ2 4.38Å; W809-W813 AromaticContact CZ3-NE1 3.81Å; W809-W813 PolarHBondContact O-NE1 3.32Å; E810-W813 CarbonylContact O-C 3.17Å; E810-W813 PolarHBondContact O-N 2.92Å; Q811-W813 PolarHBondContact O-N 2.94Å; W813-K815 VanDerWaalsContact C-N 3.34Å; W813-K815 PolarHBondContact O-N 2.54Å; W813-N816 CarbonylContact C-O 3.56Å; W813-N816 WeakPolarHBondContact CA-O 3.4Å; W813-L818 HydrophobicContact CD2-CD2 3.97Å; W813-L818 HydrophobicContact CE3-CD2 3.9Å; W813-L818 HydrophobicContact CE3-CG 4.42Å; W813-L818 HydrophobicContact CH2-CD2 3.48Å; W813-L818 VanDerWaalsContact CH2-CD2 3.48Å; W813-L818 HydrophobicContact CZ2-CD2 3.55Å; W813-L818 HydrophobicContact CZ3-CD2 3.65Å; W813-W823 PolarHBondContact O-NE1 2.93Å
814	I	92	Very high	92.1	Very high	56 Å²	56	47.2 Å²	47.2	29%	0.287	23%	0.23	S	C	.	.	S	Bend	trans	-64.8	-40.2	-176.5	-159.9	176	0	0	0	111.5	K786 E810 Q811	K786-I814 PolarHBondContact NZ-O 3.08Å; E810-I814 PolarHBondContact O-N 3.4Å; Q811-I814 WeakPolarHBondContact O-CG2 3.47Å
815	K	92.3	Very high	92.4	Very high	116 Å²	116	45.2 Å²	45.2	50%	0.504	21%	0.213	S	C	.	.	S	Bend	trans	-82.7	-44.7	-177.2	-65.8	-174.9	-179.3	-177.8	0	113.4	W813	W813-K815 VanDerWaalsContact C-N 3.34Å; W813-K815 PolarHBondContact O-N 2.54Å
816	N	94.4	Very high	92.3	Very high	55 Å²	55	47 Å²	47	29%	0.294	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-140.6	156	-173	-57.7	-48.4	0	0	0	110.4	W813 G821 L822 W823	W813-N816 CarbonylContact C-O 3.56Å; W813-N816 WeakPolarHBondContact CA-O 3.4Å; N816-G821 WeakPolarHBondContact CA-O 3.41Å; N816-L822 WeakPolarHBondContact OD1-CD2 3.43Å; N816-W823 PolarHBondContact O-NE1 3.46Å
817	C	95.4	Very high	91.6	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.034	25%	0.246	C	C	.	.			trans	-69.2	165.8	170	-173.4	0	0	0	0	112	C788 C793 C819 G820 G821 W823	C788-C817 HydrophobicContact CB-CB 3.62Å; C788-C817 WeakPolarHBondContact SG-CB 3.46Å; C793-C817 WeakPolarHBondContact CB-SG 3.43Å; C793-C817 VanDerWaalsContact SG-SG 3.63Å; C817-C819 PolarHBondContact O-N 3.28Å; C817-C819 VanDerWaalsContact O-N 3.13Å; C817-G820 WeakPolarHBondContact O-CA 3.38Å; C817-G820 PolarHBondContact O-N 3.31Å; C817-G821 PolarHBondContact N-O 2.61Å; C817-W823 HydrophobicContact CB-CH2 3.72Å; C817-W823 HydrophobicContact CB-CZ2 3.63Å; C817-W823 HydrophobicContact CB-CZ3 4.3Å
818	L	94.4	Very high	90.4	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.12	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-37	170.7	-68.9	167	0	0	0	113.4	L541 L542 A545 L772 W813 G820	L541-L818 HydrophobicContact CB-CB 4.22Å; L542-L818 HydrophobicContact CB-CD1 4.08Å; L542-L818 HydrophobicContact CD1-CD1 3.93Å; A545-L818 HydrophobicContact CB-CD2 3.6Å; L772-L818 HydrophobicContact CD2-CD1 3.75Å; L772-L818 HydrophobicContact CD2-CG 3.79Å; W813-L818 HydrophobicContact CD2-CD2 3.97Å; W813-L818 HydrophobicContact CE3-CD2 3.9Å; W813-L818 HydrophobicContact CE3-CG 4.42Å; W813-L818 HydrophobicContact CH2-CD2 3.48Å; W813-L818 VanDerWaalsContact CH2-CD2 3.48Å; W813-L818 HydrophobicContact CZ2-CD2 3.55Å; W813-L818 HydrophobicContact CZ3-CD2 3.65Å; L818-G820 PolarHBondContact O-N 3.14Å
819	C	93.6	Very high	88.8	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.014	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	2.9	178.3	72.5	0	0	0	0	113.7	A518 L541 C788 R790 C791 C817 G821	A518-C819 WeakPolarHBondContact CB-O 3.4Å; L541-C819 HydrophobicContact CD1-CB 4.3Å; C788-C819 PolarHBondContact SG-SG 3.1Å; R790-C819 PolarHBondContact NH1-O 2.94Å; C791-C819 HydrophobicContact CB-CB 4.34Å; C791-C819 PolarHBondContact SG-SG 2.82Å; C817-C819 PolarHBondContact O-N 3.28Å; C817-C819 VanDerWaalsContact O-N 3.13Å; C819-G821 VanDerWaalsContact C-N 3.26Å; C819-G821 PolarHBondContact O-N 3.48Å; C819-G821 PolarHBondContact SG-N 3.17Å
820	G	93.2	Very high	86.1	Confident	35 Å²	35	58.4 Å²	58.4	36%	0.361	30%	0.295	S	S	.	.	S	Bend	trans	77.5	0	-175.7	0	0	0	0	0	115.4	R790 C817 L818	R790-G820 VanDerWaalsContact NH1-C 3.34Å; C817-G820 WeakPolarHBondContact O-CA 3.38Å; C817-G820 PolarHBondContact O-N 3.31Å; L818-G820 PolarHBondContact O-N 3.14Å
821	G	93.9	Very high	83.2	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.01	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-73.3	155.7	175.4	0	0	0	0	0	112.5	N816 C817 C819	N816-G821 WeakPolarHBondContact CA-O 3.41Å; C817-G821 PolarHBondContact N-O 2.61Å; C819-G821 VanDerWaalsContact C-N 3.26Å; C819-G821 PolarHBondContact O-N 3.48Å; C819-G821 PolarHBondContact SG-N 3.17Å
822	L	94.8	Very high	82.8	Confident	9 Å²	9	63.9 Å²	63.9	5%	0.047	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-76.7	160.5	-177.9	-53.8	173	0	0	0	111.4	R30 L32 V106 C788 T789 N816	R30-L822 HydrophobicContact CB-CD1 4.07Å; L32-L822 HydrophobicContact CD1-CD1 4.14Å; L32-L822 HydrophobicContact CD2-CD1 4.02Å; L32-L822 HydrophobicContact CG-CD1 4.15Å; V106-L822 HydrophobicContact CG1-CB 3.32Å; V106-L822 HydrophobicContact CG1-CD1 3.42Å; V106-L822 VanDerWaalsContact CG1-CD1 3.42Å; V106-L822 HydrophobicContact CG1-CG 3.94Å; C788-L822 CarbonylContact C-O 3.56Å; C788-L822 VanDerWaalsContact CA-O 3.3Å; C788-L822 WeakPolarHBondContact CA-O 3.39Å; T789-L822 PolarHBondContact N-O 3.34Å; N816-L822 WeakPolarHBondContact OD1-CD2 3.43Å
823	W	94.6	Very high	82.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.6	174.7	-65.6	115.5	0	0	0	111.3	L105 V106 L772 K786 C788 C793 T795 W813 N816 C817	L105-W823 CarbonylContact C-O 3.26Å; L105-W823 VanDerWaalsContact CA-O 3.31Å; L105-W823 WeakPolarHBondContact CA-O 3.41Å; L105-W823 HydrophobicContact CD2-CB 3.8Å; V106-W823 WeakPolarHBondContact CG2-O 3.36Å; V106-W823 PolarHBondContact N-O 2.7Å; L772-W823 HydrophobicContact CD1-CH2 3.8Å; L772-W823 HydrophobicContact CD1-CZ2 3.7Å; L772-W823 HydrophobicContact CD2-CH2 4.49Å; L772-W823 HydrophobicContact CG-CH2 4.15Å; L772-W823 HydrophobicContact CG-CZ2 4.46Å; K786-W823 HydrophobicContact CB-CE3 4.41Å; K786-W823 HydrophobicContact CD-CB 3.97Å; K786-W823 HydrophobicContact CD-CD2 3.92Å; K786-W823 HydrophobicContact CD-CE3 4.11Å; K786-W823 HydrophobicContact CD-CG 3.84Å; K786-W823 HydrophobicContact CG-CD2 4.17Å; K786-W823 HydrophobicContact CG-CE3 3.82Å; K786-W823 HydrophobicContact CG-CG 4.47Å; K786-W823 HydrophobicContact CG-CZ3 4.41Å; C788-W823 HydrophobicContact CB-CE3 4.19Å; C788-W823 HydrophobicContact CB-CH2 4.46Å; C788-W823 HydrophobicContact CB-CZ3 3.9Å; C793-W823 WeakPolarHBondContact O-CZ3 3.41Å; T795-W823 HydrophobicContact CG2-CE3 4.41Å; T795-W823 HydrophobicContact CG2-CH2 3.84Å; T795-W823 HydrophobicContact CG2-CZ2 4.35Å; T795-W823 HydrophobicContact CG2-CZ3 3.86Å; W813-W823 PolarHBondContact O-NE1 2.93Å; N816-W823 PolarHBondContact O-NE1 3.46Å; C817-W823 HydrophobicContact CB-CH2 3.72Å; C817-W823 HydrophobicContact CB-CZ2 3.63Å; C817-W823 HydrophobicContact CB-CZ3 4.3Å
824	R	92.3	Very high	81.6	Confident	26 Å²	26	62.7 Å²	62.7	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.8	165.4	65.6	180	-173.2	96.4	3.2	109.7	D63 V106 D726 K786 A787 T789 M826	D63-R824 WeakPolarHBondContact OD2-CD 3.33Å; D63-R824 IonicContact OD2-CZ 3.87Å; D63-R824 IonicContact OD2-NE 2.65Å; D63-R824 IonicContact OD2-NH1 2.86Å; D63-R824 PolarHBondContact OD2-NH1 2.91Å; V106-R824 HydrophobicContact CG2-CB 3.67Å; D726-R824 IonicContact OD2-NH2 3.89Å; D726-R824 PolarHBondContact OD2-NH2 3.46Å; K786-R824 CarbonylContact C-O 3.48Å; K786-R824 WeakPolarHBondContact CA-O 3.49Å; K786-R824 VanDerWaalsContact CB-O 3.29Å; K786-R824 WeakPolarHBondContact CB-O 3.35Å; A787-R824 HydrophobicContact CB-CG 4.25Å; A787-R824 PolarHBondContact N-O 3.31Å; A787-R824 WeakPolarHBondContact O-CG 3.48Å; A787-R824 PolarHBondContact O-N 2.8Å; T789-R824 HydrophobicContact CG2-CB 4.16Å; T789-R824 HydrophobicContact CG2-CG 4.15Å; R824-M826 PolarHBondContact O-N 3.09Å
825	R	91.2	Very high	80.9	Confident	81 Å²	81	63.1 Å²	63.1	31%	0.306	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.4	169.7	-168.9	170.5	-78.1	-176.3	-3.5	108.1	E103 L105 N107 L797	E103-R825 IonicContact OE1-NH2 3.59Å; E103-R825 IonicContact OE2-CZ 2.72Å; E103-R825 IonicContact OE2-NH2 3.74Å; E103-R825 PolarHBondContact OE2-NH2 2.98Å; L105-R825 HydrophobicContact CD1-CB 4.22Å; N107-R825 PolarHBondContact ND2-O 2.99Å; N107-R825 PolarHBondContact OD1-N 3.23Å; L797-R825 HydrophobicContact CD1-CG 4.16Å
826	M	85.7	Confident	80.2	Confident	47 Å²	47	59.8 Å²	59.8	23%	0.232	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-78.2	141.3	172.9	-65.1	-159.9	-60.2	0	0	109.3	S785 A787 V794 R824	S785-M826 VanDerWaalsContact CB-CE 3.41Å; S785-M826 PolarHBondContact O-N 3.07Å; A787-M826 HydrophobicContact CB-CG 3.74Å; A787-M826 HydrophobicContact CB-SD 3.83Å; V794-M826 HydrophobicContact CG1-CE 3.43Å; V794-M826 VanDerWaalsContact CG1-CE 3.43Å; V794-M826 HydrophobicContact CG1-SD 4.23Å; V794-M826 HydrophobicContact CG2-CE 4.36Å; V794-M826 HydrophobicContact CG2-SD 4.16Å; R824-M826 PolarHBondContact O-N 3.09Å
827	P	74.6	Confident	79.3	Confident	92 Å²	92	60.1 Å²	60.1	60%	0.597	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-56.3	141.4	169.3	-20.2	31	0	0	0	109.6	T829	P827-T829 PolarHBondContact O-N 2.76Å
828	P	65.4	Low	78.1	Confident	101 Å²	101	64 Å²	64	66%	0.656	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-56	126.7	167.7	23.3	-29.8	0	0	0	107.4	F830	P828-F830 PolarHBondContact O-N 3.02Å
829	T	55.9	Low	76.9	Confident	79 Å²	79	67.2 Å²	67.2	49%	0.485	38%	0.378	S	S	.	.			trans	-63.9	102.6	171.9	40.6	0	0	0	0	106.8	P827 T831	P827-T829 PolarHBondContact O-N 2.76Å; T829-T831 PolarHBondContact O-N 3.19Å; T829-T831 VanDerWaalsContact O-N 3.09Å
830	F	34	Very low	75.5	Confident	194 Å²	194	72.6 Å²	72.6	85%	0.851	41%	0.409	S	S	*	.			trans	-56.8	116.5	164.9	-73.1	-82.3	0	0	0	106.4	P828	P828-F830 PolarHBondContact O-N 3.02Å
831	T	30.4	Very low	73.9	Confident	206 Å²	206	76 Å²	76	100%	1.264	41%	0.413	S	S	*	.			trans	-58.1	0	174	46.9	0	0	0	0	111.4	T829	T829-T831 PolarHBondContact O-N 3.19Å; T829-T831 VanDerWaalsContact O-N 3.09Å

Retrieved 831 of 831 residues in 411.7 ms (Link to these results)

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