A0A087XM98_POEFO Loading...

Protein argonaute-1

AlphaFold DB , UniProt , Accession A0A087XM98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 858 aa.

						>A0A087XM98_POEFO|A0A087XM98
RFSSGAHALFTLPRRPGYGSIGKPIKLLANCFQVEIPKIDVYLYEVDIKPEKCPRRVNREVVDSMVQHFKVTIFGDRLPVYDGKRSLYTASPLPVATGGVDLDVTLPGEGGKDRPFKVSMRFVSLVSWHLLHEVLTGRSVPEPLDLDKPLSTNPVHAVDVVLRHLPSMKYTPVGRSFFSSPEGYDHPLGGGREVWFGFHQSVRPAMWKMMLNIDVSATAFYKAQPVIQFMCEVLDIHNMDEQPRSLPDSHRVKFTKEIKGLKVEVTHCGSMRRKYRVCNVTRRPASLQTFPLQLENGQTVERTVAQYFREKYSLQLKYPHLPCLQVGQEQKHTYLPLEVSNIVPGQRCIKKLTDNQTSTMIKATARSAPDRQEEISRLVRSANYESDPFVQEFQFRVRDEMAQVTGRVLPAPMLQYGGRNRTVATPSHGVWDMRGKQFHTGVEIKMWAIACFATQRQCREEILKSFTEQLRKISKDAGMPIQGQPCFCKYAQGADSVEPMFRHLKNTYAGLQLIIVILPGKTPVYAEVKRVGDTLLGMATQCVQVKNVVKTSPQTLSNLCLKINVKLGGINNILLPNQRPSVFQQPIIFLGADVTHPPAGDGKKPSIAAVVGSMDAHPSRYCATVRVQRPRQEVIQDLASMVRELLIQFYKSTRYKPTRIIFYRDGVSEGQFRQVLHYELLAIREACISLEKEYQPGITFIVVQKRHHTRLFCADRNERVGRSGNIPAGTTVDTDITHPYEFDFYLCSHAGIQGTSRPSHYHVLWDDNCFTADEFQLLTYQLCHTYVRCTRSVSIPAPAYYAHLVAFRARYHLVDKEHDSCLSAEGSHISGQSNGRDPQALAKAVQIHHDTLRTMYFA
					

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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	R	28.8	Very low	44.6	Very low	300 Å²	300	130.5 Å²	130.5	100%	1.132	74%	0.737	S	S	*	*				0	98	0	-78.1	179.1	177.4	174.7	-1.2	106.6
2	F	32.5	Very low	48	Very low	214 Å²	214	121.5 Å²	121.5	94%	0.939	69%	0.686	S	S	*	*			trans	-91.4	104	162.8	-82.2	-80.3	0	0	0	105.7
3	S	27.4	Very low	51.2	Low	105 Å²	105	114.5 Å²	114.5	73%	0.734	65%	0.649	S	S	*	*			trans	-61.7	135.2	172.3	44.2	0	0	0	0	109.6	G5	S3-G5 PolarHBondContact O-N 2.78Å
4	S	32.9	Very low	54	Low	134 Å²	134	117.6 Å²	117.6	94%	0.937	65%	0.645	S	S	*	*	S	Bend	trans	-63.9	75.6	167.6	50.8	0	0	0	0	111.3
5	G	30.3	Very low	56.6	Low	58 Å²	58	111.6 Å²	111.6	60%	0.598	61%	0.609	S	S	*	*			trans	-158.6	122.2	176.6	0	0	0	0	0	110.8	S3	S3-G5 PolarHBondContact O-N 2.78Å
6	A	33.3	Very low	58.9	Low	97 Å²	97	109.4 Å²	109.4	80%	0.802	60%	0.602	S	S	*	*			trans	66.8	113.2	-176.8	0	0	0	0	0	115.7	A8	A6-A8 PolarHBondContact O-N 2.98Å
7	H	38.4	Very low	61	Low	179 Å²	179	104.6 Å²	104.6	83%	0.829	58%	0.584	S	S	*	*			trans	-56	101.8	163	-70.4	-79.5	0	0	0	108.5	L9	H7-L9 VanDerWaalsContact C-N 3.35Å; H7-L9 PolarHBondContact O-N 3.17Å
8	A	45.7	Very low	62.9	Low	85 Å²	85	105.4 Å²	105.4	70%	0.702	58%	0.577	S	S	*	*			trans	-63.8	98.9	171.6	0	0	0	0	0	108.1	A6 F10	A6-A8 PolarHBondContact O-N 2.98Å; A8-F10 PolarHBondContact O-N 3.31Å; A8-F10 VanDerWaalsContact O-N 3.16Å
9	L	63.4	Low	64.6	Low	116 Å²	116	100.4 Å²	100.4	61%	0.607	55%	0.552	S	S	*	*			trans	-67.1	110	179.4	-77.8	156.8	0	0	0	108.7	H7 T11	H7-L9 VanDerWaalsContact C-N 3.35Å; H7-L9 PolarHBondContact O-N 3.17Å; L9-T11 PolarHBondContact O-N 2.85Å; L9-T11 VanDerWaalsContact O-N 3.1Å; L9-T11 PolarHBondContact O-OG1 3.34Å
10	F	77.4	Confident	66.2	Low	40 Å²	40	100.1 Å²	100.1	18%	0.175	56%	0.558	C	S	.	*			trans	-59.8	115.3	169.4	-62.9	-63.9	0	0	0	108.9	A8 L676 H677 L680 L681 W765	A8-F10 PolarHBondContact O-N 3.31Å; A8-F10 VanDerWaalsContact O-N 3.16Å; F10-L676 HydrophobicContact CB-CD2 4.07Å; F10-H677 HydrophobicContact CD2-CB 4.37Å; F10-H677 AromaticContact CD2-ND1 3.72Å; F10-H677 AromaticContact CE2-ND1 3.62Å; F10-L680 HydrophobicContact CD1-CD2 3.89Å; F10-L680 HydrophobicContact CE1-CD2 3.86Å; F10-L680 HydrophobicContact CG-CD2 4.34Å; F10-L680 HydrophobicContact CZ-CD2 4.26Å; F10-L681 HydrophobicContact CE2-CD1 4.3Å; F10-L681 HydrophobicContact CE2-CD2 4.2Å; F10-L681 HydrophobicContact CE2-CG 3.95Å; F10-L681 HydrophobicContact CZ-CD2 3.74Å; F10-L681 HydrophobicContact CZ-CG 3.98Å; F10-W765 HydrophobicContact CB-CE3 4.48Å; F10-W765 HydrophobicContact CB-CZ3 4.24Å; F10-W765 HydrophobicContact CD1-CE3 4.27Å; F10-W765 HydrophobicContact CD1-CH2 4.1Å; F10-W765 AromaticContact CD1-CZ3 3.81Å; F10-W765 HydrophobicContact CD1-CZ3 3.81Å
11	T	80.5	Confident	67.6	Low	107 Å²	107	98.4 Å²	98.4	66%	0.656	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-95	137.6	176.9	-55	0	0	0	0	109	L9	L9-T11 PolarHBondContact O-N 2.85Å; L9-T11 VanDerWaalsContact O-N 3.1Å; L9-T11 PolarHBondContact O-OG1 3.34Å
12	L	85.8	Confident	70.8	Confident	23 Å²	23	85.4 Å²	85.4	12%	0.12	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-66.6	138.1	177.1	-63.6	167.2	0	0	0	109.6	L676 E741 L764	L12-L676 HydrophobicContact CD2-CD2 4.17Å; L12-E741 WeakPolarHBondContact CD1-OE1 3.43Å; L12-L764 HydrophobicContact CD2-CB 3.83Å; L12-L764 HydrophobicContact CD2-CD2 3.5Å; L12-L764 HydrophobicContact CD2-CG 4.21Å
13	P	89.8	Confident	73.9	Confident	31 Å²	31	82 Å²	82	20%	0.201	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-66	139.6	-179.7	27.1	-33.4	0	0	0	110.6	F742 V763 L764	P13-F742 PolarHBondContact O-N 2.93Å; P13-V763 WeakPolarHBondContact CD-O 3.17Å; P13-V763 HydrophobicContact CG-CB 4.43Å; P13-V763 HydrophobicContact CG-CG1 3.99Å; P13-V763 WeakPolarHBondContact CG-O 3.11Å; P13-L764 VanDerWaalsContact CD-C 3.4Å; P13-L764 VanDerWaalsContact CD-O 3.22Å; P13-L764 WeakPolarHBondContact CD-O 3.25Å
14	R	90.3	Very high	77.2	Confident	157 Å²	157	81.2 Å²	81.2	59%	0.592	48%	0.483	S	S	*	.	B	Isolated β-bridge	trans	-70.3	153	169.2	-70.9	-172.8	173.8	-167.4	-2.1	110	P16 Y740	R14-P16 WeakPolarHBondContact O-CD 3.33Å; R14-Y740 CarbonylContact C-O 3.49Å; R14-Y740 WeakPolarHBondContact CA-O 3.47Å
15	R	92.4	Very high	80.3	Confident	28 Å²	28	74.9 Å²	74.9	11%	0.106	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-56	121.5	172.7	-172.8	-176.8	-54.2	-75.6	-4.9	109.6	G17 M206 D733 H738 Y740 E741 F742 D743	R15-G17 VanDerWaalsContact C-N 3.26Å; R15-G17 WeakPolarHBondContact CD-O 3.48Å; R15-G17 WeakPolarHBondContact CG-O 3.18Å; R15-G17 PolarHBondContact O-N 3.49Å; R15-M206 VanDerWaalsContact CZ-CE 3.5Å; R15-M206 VanDerWaalsContact NH2-CE 3.34Å; R15-D733 PolarHBondContact NH1-O 3.42Å; R15-H738 PolarHBondContact NH2-O 3.45Å; R15-Y740 PolarHBondContact N-O 3.12Å; R15-E741 PolarHBondContact NH2-O 2.88Å; R15-F742 HydrophobicContact CG-CD1 4.41Å; R15-D743 IonicContact CZ-OD1 3.8Å; R15-D743 PolarHBondContact NH1-O 3.25Å; R15-D743 IonicContact NH1-OD1 2.79Å; R15-D743 PolarHBondContact NH2-O 3.34Å; R15-D743 IonicContact NH2-OD1 3.05Å; R15-D743 PolarHBondContact NH2-OD1 3.49Å
16	P	93.6	Very high	83.6	Confident	76 Å²	76	78.4 Å²	78.4	49%	0.494	44%	0.438	S	S	.	.			trans	-74.1	-19.8	-177.8	29.1	-34.8	0	0	0	112.8	R14 F742 F770	R14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-F742 HydrophobicContact CG-CD2 4.02Å; P16-F742 HydrophobicContact CG-CE1 4.35Å; P16-F742 HydrophobicContact CG-CE2 3.75Å; P16-F742 HydrophobicContact CG-CG 4.44Å; P16-F742 HydrophobicContact CG-CZ 3.94Å; P16-F770 VanDerWaalsContact CG-O 3.27Å; P16-F770 WeakPolarHBondContact CG-O 3.44Å
17	G	94	Very high	86.7	Confident	29 Å²	29	73.9 Å²	73.9	30%	0.299	40%	0.4	S	S	.	.			trans	165.3	-173.1	-179.1	0	0	0	0	0	110.4	R15 A772	R15-G17 VanDerWaalsContact C-N 3.26Å; R15-G17 WeakPolarHBondContact CD-O 3.48Å; R15-G17 WeakPolarHBondContact CG-O 3.18Å; R15-G17 PolarHBondContact O-N 3.49Å; G17-A772 WeakPolarHBondContact O-CB 3.15Å
18	Y	95.6	Very high	89.5	Confident	118 Å²	118	66.8 Å²	66.8	46%	0.463	37%	0.368	S	S	.	.			trans	-107	145	175.1	-62.6	-83.3	0	0	0	109.8	M206 T734	Y18-M206 HydrophobicContact CE1-CE 3.53Å; Y18-M206 HydrophobicContact CE1-SD 3.77Å; Y18-M206 WeakPolarHBondContact OH-CE 3.37Å; Y18-M206 PolarHBondContact OH-SD 3.46Å; Y18-T734 HydrophobicContact CD1-CG2 3.54Å; Y18-T734 HydrophobicContact CE1-CG2 3.81Å; Y18-T734 HydrophobicContact CG-CG2 4.4Å
19	G	95.8	Very high	92	Very high	10 Å²	10	62.7 Å²	62.7	10%	0.103	34%	0.335	C	S	.	.			trans	-70.2	144.5	175.5	0	0	0	0	0	111.3	R407 D733 D773	G19-R407 WeakPolarHBondContact O-CD 3.42Å; G19-R407 PolarHBondContact O-NE 2.9Å; G19-D733 PolarHBondContact N-OD2 2.7Å; G19-D773 WeakPolarHBondContact CA-OD1 3.2Å
20	S	96.6	Very high	93.6	Very high	95 Å²	95	57.2 Å²	57.2	66%	0.664	31%	0.306	S	S	*	.			trans	-116.6	-18.2	-178.2	65.9	0	0	0	0	112.5	D773	S20-D773 PolarHBondContact N-OD1 2.87Å; S20-D773 PolarHBondContact N-OD2 3.2Å; S20-D773 PolarHBondContact OG-OD2 3.38Å
21	I	96.1	Very high	94.5	Very high	64 Å²	64	55.6 Å²	55.6	33%	0.328	30%	0.299	S	S	.	.			trans	-81.1	141	-175.3	-62.7	175.8	0	0	0	110.8	R407 L409 P410 D773 L777	I21-R407 WeakPolarHBondContact O-CD 3.5Å; I21-R407 PolarHBondContact O-NH1 2.92Å; I21-L409 WeakPolarHBondContact O-CD2 3Å; I21-P410 HydrophobicContact CG2-CG 4.19Å; I21-D773 WeakPolarHBondContact CB-OD1 3.46Å; I21-D773 HydrophobicContact CD1-CB 3.89Å; I21-D773 HydrophobicContact CG1-CB 4.23Å; I21-D773 PolarHBondContact N-OD1 2.74Å; I21-L777 HydrophobicContact CD1-CD1 3.61Å; I21-L777 HydrophobicContact CG2-CD1 4.33Å; I21-L777 HydrophobicContact CG2-CD2 4.33Å
22	G	96	Very high	95.2	Very high	27 Å²	27	50.5 Å²	50.5	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	110.1	158.1	174.8	0	0	0	0	0	113.1	V408	G22-V408 CarbonylContact C-O 3.46Å; G22-V408 WeakPolarHBondContact CA-O 3.46Å
23	K	97.1	Very high	95.5	Very high	143 Å²	143	50.7 Å²	50.7	62%	0.622	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.5	179.4	-178.4	-173.4	169.4	-169.9	0	109.6	R407 V408	K23-R407 CarbonylContact O-C 3.46Å; K23-R407 WeakPolarHBondContact O-CA 3.3Å; K23-V408 PolarHBondContact N-O 3.1Å; K23-V408 PolarHBondContact O-N 3.44Å
24	P	97.6	Very high	95.7	Very high	88 Å²	88	49.3 Å²	49.3	57%	0.571	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	142.3	173.8	-23.5	33.7	0	0	0	112.3	T405 G406	P24-T405 HydrophobicContact CB-CG2 4.45Å; P24-G406 CarbonylContact C-O 3.59Å; P24-G406 WeakPolarHBondContact CA-O 3.27Å
25	I	97.8	Very high	95.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133	175.9	176.3	167.7	0	0	0	109.5	L27 G406 V408 E718 P727 T730	I25-L27 HydrophobicContact CD1-CD2 3.86Å; I25-L27 HydrophobicContact CG1-CD2 3.78Å; I25-L27 HydrophobicContact CG1-CG 4.31Å; I25-L27 HydrophobicContact CG2-CD1 4.37Å; I25-L27 HydrophobicContact CG2-CD2 4.35Å; I25-L27 HydrophobicContact CG2-CG 4.28Å; I25-G406 PolarHBondContact N-O 2.85Å; I25-G406 PolarHBondContact O-N 3.03Å; I25-V408 HydrophobicContact CB-CG2 4.06Å; I25-V408 HydrophobicContact CD1-CG2 4.3Å; I25-V408 HydrophobicContact CG2-CG2 3.71Å; I25-E718 HydrophobicContact CD1-CB 4.26Å; I25-E718 WeakPolarHBondContact CD1-OE2 3.09Å; I25-E718 VanDerWaalsContact CG1-OE2 3.23Å; I25-E718 WeakPolarHBondContact CG1-OE2 3.46Å; I25-P727 HydrophobicContact CD1-CG 3.8Å; I25-T730 HydrophobicContact CG2-CG2 4.21Å
26	K	98.3	Very high	95.7	Very high	132 Å²	132	44.5 Å²	44.5	57%	0.574	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	125.7	175.9	-69.3	-179.9	179.9	178.9	0	110.6	A714	K26-A714 HydrophobicContact CB-CB 3.82Å; K26-A714 WeakPolarHBondContact O-CB 2.92Å; K26-A714 PolarHBondContact O-N 2.72Å
27	L	98.4	Very high	95.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156	-174.7	-58.1	174.3	0	0	0	111.8	I25 Q403 V404 L711 F712 I726 T730 V732	I25-L27 HydrophobicContact CD1-CD2 3.86Å; I25-L27 HydrophobicContact CG1-CD2 3.78Å; I25-L27 HydrophobicContact CG1-CG 4.31Å; I25-L27 HydrophobicContact CG2-CD1 4.37Å; I25-L27 HydrophobicContact CG2-CD2 4.35Å; I25-L27 HydrophobicContact CG2-CG 4.28Å; L27-Q403 WeakPolarHBondContact O-CA 3.44Å; L27-V404 WeakPolarHBondContact CA-O 3.2Å; L27-V404 WeakPolarHBondContact CB-O 3.39Å; L27-V404 PolarHBondContact N-O 2.83Å; L27-V404 PolarHBondContact O-N 2.94Å; L27-L711 HydrophobicContact CD1-CD1 4.41Å; L27-F712 CarbonylContact C-O 3.53Å; L27-F712 VanDerWaalsContact CA-O 3.23Å; L27-F712 WeakPolarHBondContact CA-O 3.43Å; L27-I726 HydrophobicContact CD2-CG2 3.7Å; L27-T730 HydrophobicContact CD1-CG2 3.55Å; L27-T730 HydrophobicContact CD2-CG2 4.24Å; L27-T730 HydrophobicContact CG-CG2 4.5Å; L27-V732 HydrophobicContact CD1-CG2 3.58Å
28	L	98.2	Very high	95.4	Very high	29 Å²	29	47.1 Å²	47.1	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129	166.1	-62.7	170.6	0	0	0	108.4	M401 A402 Q403 L711 F712 A714	L28-M401 HydrophobicContact CB-CB 4.21Å; L28-M401 HydrophobicContact CB-SD 4.25Å; L28-M401 HydrophobicContact CD2-CB 4.43Å; L28-A402 WeakPolarHBondContact CA-O 3.45Å; L28-Q403 HydrophobicContact CD2-CG 3.76Å; L28-L711 WeakPolarHBondContact O-CA 3.08Å; L28-F712 HydrophobicContact CB-CB 4.38Å; L28-F712 PolarHBondContact N-O 3.17Å; L28-F712 WeakPolarHBondContact O-CD2 3.18Å; L28-F712 PolarHBondContact O-N 3.14Å; L28-A714 HydrophobicContact CG-CB 4.15Å
29	A	97.6	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.3	173.6	0	0	0	0	0	109.8	C31 M401 A402 V404 R710 L711 I736	A29-C31 HydrophobicContact CB-CB 4.34Å; A29-C31 PolarHBondContact O-N 2.84Å; A29-M401 WeakPolarHBondContact O-CB 3.22Å; A29-M401 WeakPolarHBondContact O-CG 3.48Å; A29-A402 PolarHBondContact N-O 3.46Å; A29-A402 PolarHBondContact O-N 3.15Å; A29-V404 HydrophobicContact CB-CG2 4.11Å; A29-R710 WeakPolarHBondContact CA-O 3.48Å; A29-L711 HydrophobicContact CB-CD2 3.96Å; A29-I736 HydrophobicContact CB-CD1 3.88Å; A29-I736 HydrophobicContact CB-CG2 3.99Å
30	N	97.1	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-73.7	38.8	172.8	70.6	-34.7	0	0	0	113.5	N212 I213 I375 M401 H708 T709 R710 F712	N30-N212 WeakPolarHBondContact O-CA 3.39Å; N30-I213 WeakPolarHBondContact CB-O 3.44Å; N30-I213 PolarHBondContact ND2-O 2.83Å; N30-I213 PolarHBondContact O-N 3.39Å; N30-I213 VanDerWaalsContact O-N 3.1Å; N30-I375 HydrophobicContact CB-CD1 4.09Å; N30-I375 HydrophobicContact CB-CG2 4.34Å; N30-M401 HydrophobicContact CB-CE 4.3Å; N30-H708 PolarHBondContact ND2-O 3.05Å; N30-T709 WeakPolarHBondContact OD1-CA 3.26Å; N30-R710 HydrophobicContact CB-CB 4.46Å; N30-R710 PolarHBondContact N-O 3.03Å; N30-R710 PolarHBondContact OD1-N 3.04Å; N30-R710 PolarHBondContact OD1-O 2.57Å; N30-F712 HydrophobicContact CB-CE2 4.29Å
31	C	95.8	Very high	94.8	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	175.4	-67	0	0	0	0	107.2	A29 M210 L211 A402 I736	A29-C31 HydrophobicContact CB-CB 4.34Å; A29-C31 PolarHBondContact O-N 2.84Å; C31-M210 HydrophobicContact CB-CB 4.18Å; C31-M210 HydrophobicContact CB-CG 4.4Å; C31-M210 HydrophobicContact CB-SD 4.21Å; C31-L211 CarbonylContact C-O 3.52Å; C31-L211 WeakPolarHBondContact CA-O 3.32Å; C31-A402 HydrophobicContact CB-CB 4.34Å; C31-A402 VanDerWaalsContact O-CB 3.22Å; C31-A402 WeakPolarHBondContact O-CB 3.41Å; C31-A402 PolarHBondContact O-N 2.97Å; C31-I736 HydrophobicContact CB-CG2 4.07Å
32	F	94.9	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.5	-177.3	-62.7	-91	0	0	0	108.2	V34 L211 I213 I375 V379 V397 R398 D399 E400 M401	F32-V34 PolarHBondContact O-N 2.84Å; F32-L211 HydrophobicContact CB-CB 4.33Å; F32-L211 WeakPolarHBondContact CD2-O 3.33Å; F32-L211 PolarHBondContact N-O 3.41Å; F32-L211 PolarHBondContact O-N 2.62Å; F32-I213 HydrophobicContact CD2-CB 4.21Å; F32-I213 HydrophobicContact CD2-CG1 4.06Å; F32-I213 HydrophobicContact CE2-CB 3.97Å; F32-I213 HydrophobicContact CE2-CG1 4.29Å; F32-I375 HydrophobicContact CE2-CG2 3.98Å; F32-I375 HydrophobicContact CZ-CG2 3.93Å; F32-V379 HydrophobicContact CD1-CG1 3.98Å; F32-V379 HydrophobicContact CD1-CG2 4.36Å; F32-V379 HydrophobicContact CD2-CG2 4.1Å; F32-V379 HydrophobicContact CE1-CB 4.11Å; F32-V379 HydrophobicContact CE1-CG1 3.98Å; F32-V379 HydrophobicContact CE1-CG2 3.91Å; F32-V379 HydrophobicContact CE2-CG2 3.65Å; F32-V379 HydrophobicContact CG-CG1 4.46Å; F32-V379 HydrophobicContact CG-CG2 4.45Å; F32-V379 HydrophobicContact CZ-CB 4.18Å; F32-V379 HydrophobicContact CZ-CG1 4.47Å; F32-V379 HydrophobicContact CZ-CG2 3.54Å; F32-V397 HydrophobicContact CB-CG1 4.28Å; F32-R398 WeakPolarHBondContact CB-O 3.25Å; F32-R398 WeakPolarHBondContact CD1-O 3.35Å; F32-D399 WeakPolarHBondContact CE1-O 3.34Å; F32-E400 VanDerWaalsContact CD1-O 3.25Å; F32-E400 WeakPolarHBondContact CD1-O 3.04Å; F32-M401 HydrophobicContact CE1-CG 3.95Å; F32-M401 HydrophobicContact CE2-CG 4.5Å; F32-M401 HydrophobicContact CZ-CE 4.33Å; F32-M401 HydrophobicContact CZ-CG 3.69Å
33	Q	93.7	Very high	94.7	Very high	27 Å²	27	41.3 Å²	41.3	13%	0.126	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132	-175.8	-174.1	-168.8	-50.1	0	0	110.5	E35 K208 R398	Q33-E35 PolarHBondContact NE2-OE1 2.93Å; Q33-K208 HydrophobicContact CG-CB 4.37Å; Q33-K208 HydrophobicContact CG-CD 3.52Å; Q33-R398 HydrophobicContact CB-CB 4.33Å; Q33-R398 HydrophobicContact CB-CG 4.1Å; Q33-R398 PolarHBondContact O-N 3.26Å
34	V	92.8	Very high	94.5	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.1	172.6	-172.4	0	0	0	0	109.2	F32 I36 L162 M209 L211 F395 R396 V397	F32-V34 PolarHBondContact O-N 2.84Å; V34-I36 HydrophobicContact CG1-CG2 3.95Å; V34-L162 HydrophobicContact CG1-CD1 4.37Å; V34-L162 HydrophobicContact CG2-CD1 4.27Å; V34-M209 HydrophobicContact CB-CB 4.11Å; V34-M209 PolarHBondContact N-O 3.47Å; V34-L211 HydrophobicContact CG2-CB 3.62Å; V34-F395 HydrophobicContact CG1-CD2 4.5Å; V34-R396 WeakPolarHBondContact CA-O 3.43Å; V34-V397 HydrophobicContact CG1-CG2 4.48Å; V34-V397 HydrophobicContact CG2-CG2 4.41Å
35	E	91.8	Very high	94.3	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.332	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116	171.2	-62.1	177.9	-176.8	0	0	108.1	Q33 R396 R398	Q33-E35 PolarHBondContact NE2-OE1 2.93Å; E35-R396 HydrophobicContact CB-CB 4.2Å; E35-R396 PolarHBondContact N-O 2.91Å; E35-R396 PolarHBondContact O-N 2.91Å; E35-R396 VanDerWaalsContact O-N 3.11Å; E35-R398 IonicContact OE1-CZ 3.85Å; E35-R398 IonicContact OE1-NE 2.97Å; E35-R398 PolarHBondContact OE1-NE 2.87Å; E35-R398 IonicContact OE1-NH2 3.27Å; E35-R398 PolarHBondContact OE1-NH2 2.76Å
36	I	90.8	Very high	94.1	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.067	15%	0.152	C	C	.	.			trans	-109.1	136.4	-178.8	47.5	157.9	0	0	0	110.1	V34 L131 H132 V158 M209 F395	V34-I36 HydrophobicContact CG1-CG2 3.95Å; I36-L131 HydrophobicContact CD1-CD2 3.64Å; I36-L131 HydrophobicContact CD1-CG 4.11Å; I36-H132 WeakPolarHBondContact CG1-NE2 3.5Å; I36-H132 PolarHBondContact O-NE2 3.46Å; I36-V158 HydrophobicContact CG2-CG1 4.32Å; I36-V158 HydrophobicContact CG2-CG2 4.29Å; I36-M209 HydrophobicContact CD1-CG 3.87Å; I36-M209 HydrophobicContact CG1-CG 4.32Å; I36-F395 HydrophobicContact CB-CD1 4.48Å; I36-F395 HydrophobicContact CB-CE1 4.1Å; I36-F395 HydrophobicContact CG2-CD1 3.98Å; I36-F395 HydrophobicContact CG2-CE1 3.56Å; I36-F395 HydrophobicContact CG2-CE2 4.44Å; I36-F395 HydrophobicContact CG2-CZ 3.82Å
37	P	91.8	Very high	93.9	Very high	21 Å²	21	27.5 Å²	27.5	14%	0.136	13%	0.132	C	C	.	.			trans	-69.3	155.8	176.5	30.1	-36	0	0	0	111.8	I39 W128 F393 Q394	P37-I39 VanDerWaalsContact C-N 3.29Å; P37-I39 HydrophobicContact CB-CD1 4.37Å; P37-I39 HydrophobicContact CB-CG1 4.19Å; P37-I39 HydrophobicContact CB-CG2 4.3Å; P37-I39 HydrophobicContact CG-CD1 3.88Å; P37-I39 HydrophobicContact CG-CG1 3.91Å; P37-I39 PolarHBondContact O-N 2.88Å; P37-W128 HydrophobicContact CG-CE3 3.94Å; P37-W128 HydrophobicContact CG-CZ3 3.94Å; P37-W128 WeakPolarHBondContact O-CB 3.39Å; P37-F393 VanDerWaalsContact CG-O 3.32Å; P37-F393 WeakPolarHBondContact CG-O 3.33Å; P37-Q394 HydrophobicContact CG-CB 4.23Å
38	K	89.3	Confident	93.6	Very high	138 Å²	138	27.7 Å²	27.7	60%	0.6	13%	0.133	S	C	*	.	S	Bend	trans	-90.7	61.8	177.2	-66.3	-180	-179.5	-178.4	0	110.6
39	I	91	Very high	93.3	Very high	55 Å²	55	31.9 Å²	31.9	28%	0.282	15%	0.15	S	C	.	.			trans	-121.2	165.3	-179.2	64	176.4	0	0	0	110.9	P37 W128	P37-I39 VanDerWaalsContact C-N 3.29Å; P37-I39 HydrophobicContact CB-CD1 4.37Å; P37-I39 HydrophobicContact CB-CG1 4.19Å; P37-I39 HydrophobicContact CB-CG2 4.3Å; P37-I39 HydrophobicContact CG-CD1 3.88Å; P37-I39 HydrophobicContact CG-CG1 3.91Å; P37-I39 PolarHBondContact O-N 2.88Å; I39-W128 HydrophobicContact CD1-CE3 4.4Å; I39-W128 HydrophobicContact CD1-CZ3 4.25Å; I39-W128 HydrophobicContact CG1-CE3 3.86Å; I39-W128 HydrophobicContact CG1-CZ3 4.22Å; I39-W128 WeakPolarHBondContact O-CB 3.48Å; I39-W128 PolarHBondContact O-N 3.37Å; I39-W128 VanDerWaalsContact O-N 3.08Å
40	D	91.6	Very high	92.8	Very high	73 Å²	73	35.5 Å²	35.5	39%	0.39	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.5	167.1	-64.5	-27.9	0	0	0	110.1	L125 S127	D40-L125 HydrophobicContact CB-CB 4.49Å; D40-L125 HydrophobicContact CB-CD2 4.28Å; D40-S127 WeakPolarHBondContact OD1-CA 3.2Å; D40-S127 WeakPolarHBondContact OD1-CB 3.45Å; D40-S127 PolarHBondContact OD1-OG 2.82Å
41	V	94.1	Very high	91.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.4	-176.1	-172.1	0	0	0	0	109.5	Y88 T89 L125 V126 W128 F393	V41-Y88 HydrophobicContact CG1-CD1 4.47Å; V41-T89 VanDerWaalsContact CG1-O 3.26Å; V41-T89 WeakPolarHBondContact CG1-O 3.37Å; V41-L125 WeakPolarHBondContact O-CA 3.36Å; V41-V126 PolarHBondContact N-O 3.32Å; V41-V126 PolarHBondContact O-N 3.38Å; V41-W128 HydrophobicContact CG2-CD2 3.62Å; V41-W128 HydrophobicContact CG2-CE3 3.56Å; V41-W128 HydrophobicContact CG2-CG 4.4Å; V41-W128 HydrophobicContact CG2-CH2 3.65Å; V41-W128 HydrophobicContact CG2-CZ2 3.69Å; V41-W128 HydrophobicContact CG2-CZ3 3.56Å; V41-F393 HydrophobicContact CG1-CD1 4.29Å; V41-F393 HydrophobicContact CG1-CE1 3.64Å
42	Y	94.4	Very high	91.2	Very high	62 Å²	62	51 Å²	51	24%	0.243	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.3	-174.5	-62.3	-98.8	0	0	0	110.4	Y88 T89 P92 F122 L125	Y42-Y88 VanDerWaalsContact O-CA 3.29Å; Y42-Y88 WeakPolarHBondContact O-CA 3.43Å; Y42-T89 PolarHBondContact N-O 3.46Å; Y42-T89 PolarHBondContact O-N 2.77Å; Y42-T89 VanDerWaalsContact O-N 3.11Å; Y42-P92 HydrophobicContact CD1-CB 3.99Å; Y42-P92 HydrophobicContact CE1-CB 3.59Å; Y42-P92 HydrophobicContact CE1-CG 4.23Å; Y42-P92 HydrophobicContact CE2-CB 4.27Å; Y42-P92 VanDerWaalsContact CE2-CD 3.48Å; Y42-P92 HydrophobicContact CE2-CG 4.35Å; Y42-F122 AromaticContact CD1-CE2 3.88Å; Y42-F122 HydrophobicContact CD1-CE2 3.88Å; Y42-L125 HydrophobicContact CD1-CD2 3.52Å; Y42-L125 HydrophobicContact CD2-CD2 4.32Å; Y42-L125 HydrophobicContact CE1-CD2 3.47Å; Y42-L125 VanDerWaalsContact CE1-CD2 3.47Å; Y42-L125 HydrophobicContact CE2-CD2 4.27Å; Y42-L125 HydrophobicContact CG-CD2 3.95Å
43	L	94.4	Very high	90.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.4	174.9	172.2	64.6	0	0	0	110.8	Y88 V123 S124 V126 T152	L43-Y88 HydrophobicContact CB-CD1 4.23Å; L43-Y88 HydrophobicContact CB-CE1 4.12Å; L43-Y88 HydrophobicContact CD1-CD1 3.94Å; L43-Y88 HydrophobicContact CD1-CE1 3.41Å; L43-Y88 VanDerWaalsContact CD1-CE1 3.41Å; L43-Y88 HydrophobicContact CD1-CE2 4.24Å; L43-Y88 HydrophobicContact CG-CE1 4.21Å; L43-V123 HydrophobicContact CD2-CB 4.26Å; L43-V123 HydrophobicContact CD2-CG1 4.21Å; L43-V123 HydrophobicContact CG-CB 4.19Å; L43-V123 PolarHBondContact O-N 3.4Å; L43-S124 WeakPolarHBondContact CB-O 3.38Å; L43-S124 PolarHBondContact N-O 3.42Å; L43-V126 HydrophobicContact CB-CG2 4.06Å; L43-T152 HydrophobicContact CD2-CG2 4.06Å
44	Y	94	Very high	90.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.4	171.6	-55.3	-94.8	0	0	0	110.1	L87 T89 L93 V95 M120 R121 F122	Y44-L87 HydrophobicContact CD2-CD2 3.89Å; Y44-L87 HydrophobicContact CG-CD2 4.33Å; Y44-L87 PolarHBondContact N-O 2.77Å; Y44-L87 PolarHBondContact O-N 2.81Å; Y44-T89 HydrophobicContact CE2-CG2 4.32Å; Y44-T89 WeakPolarHBondContact CE2-OG1 3.36Å; Y44-L93 HydrophobicContact CD2-CD1 4.21Å; Y44-L93 HydrophobicContact CE1-CB 4.07Å; Y44-L93 HydrophobicContact CE1-CD1 4.25Å; Y44-L93 HydrophobicContact CE1-CG 4.45Å; Y44-L93 HydrophobicContact CE2-CD1 3.9Å; Y44-L93 HydrophobicContact CE2-CG 4.09Å; Y44-L93 PolarHBondContact OH-N 3.05Å; Y44-V95 HydrophobicContact CE1-CB 4.2Å; Y44-M120 HydrophobicContact CD1-CG 4.41Å; Y44-M120 HydrophobicContact CG-CG 4.48Å; Y44-R121 CarbonylContact C-O 3.45Å; Y44-R121 WeakPolarHBondContact CA-O 3.44Å; Y44-F122 HydrophobicContact CD1-CB 4.06Å; Y44-F122 HydrophobicContact CD1-CD2 4.38Å; Y44-F122 HydrophobicContact CE1-CB 3.94Å; Y44-F122 AromaticContact CE1-CD2 3.93Å; Y44-F122 HydrophobicContact CE1-CD2 3.93Å; Y44-F122 HydrophobicContact CE1-CG 4.43Å
45	E	93.1	Very high	90.1	Very high	41 Å²	41	61.5 Å²	61.5	19%	0.192	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.5	167.9	-173.7	173.2	-167.6	0	0	109.8	R85 M120 R121 V123	E45-R85 CarbonylContact C-O 3.6Å; E45-R85 VanDerWaalsContact CA-O 3.27Å; E45-R85 WeakPolarHBondContact CA-O 3.29Å; E45-R85 HydrophobicContact CG-CB 4.32Å; E45-R85 IonicContact OE1-NH1 2.97Å; E45-R85 PolarHBondContact OE1-NH1 3.42Å; E45-M120 CarbonylContact O-C 3.59Å; E45-M120 WeakPolarHBondContact O-CA 3.39Å; E45-R121 HydrophobicContact CB-CG 3.87Å; E45-R121 PolarHBondContact N-O 2.81Å; E45-R121 PolarHBondContact O-N 3.11Å; E45-R121 IonicContact OE1-NH2 3.73Å; E45-R121 IonicContact OE2-CZ 3.11Å; E45-R121 IonicContact OE2-NE 2.84Å; E45-R121 PolarHBondContact OE2-NE 3.19Å; E45-R121 IonicContact OE2-NH2 2.62Å; E45-R121 PolarHBondContact OE2-NH2 3.01Å; E45-V123 HydrophobicContact CB-CG2 3.63Å
46	V	93.1	Very high	89.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.8	179.4	-178	0	0	0	0	108.7	I48 V62 Y81 R85 L87 V118 S119 M120	V46-I48 HydrophobicContact CG1-CD1 4.41Å; V46-I48 HydrophobicContact CG1-CG1 3.98Å; V46-V62 HydrophobicContact CG1-CG2 4.33Å; V46-Y81 HydrophobicContact CB-CE2 4.3Å; V46-R85 PolarHBondContact N-O 3.36Å; V46-R85 WeakPolarHBondContact O-CA 2.99Å; V46-L87 HydrophobicContact CG2-CB 3.64Å; V46-L87 HydrophobicContact CG2-CD1 3.97Å; V46-L87 HydrophobicContact CG2-CG 4.41Å; V46-V118 HydrophobicContact CG1-CG1 3.51Å; V46-S119 CarbonylContact C-O 3.57Å; V46-S119 WeakPolarHBondContact CA-O 3.11Å; V46-M120 HydrophobicContact CG2-CG 4.23Å
47	D	93.3	Very high	89.7	Confident	30 Å²	30	66 Å²	66	16%	0.16	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.6	171.8	-174.9	49.1	0	0	0	110	K49 V118 S119	D47-K49 WeakPolarHBondContact OD2-CE 3.49Å; D47-V118 CarbonylContact O-C 3.52Å; D47-V118 WeakPolarHBondContact O-CA 3.34Å; D47-S119 WeakPolarHBondContact CB-OG 3.46Å; D47-S119 PolarHBondContact N-O 2.94Å; D47-S119 PolarHBondContact O-N 3.34Å
48	I	93	Very high	89.8	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.1	-174.7	-57.4	174.6	0	0	0	108.8	V46 P50 E51 N58 V61 V62 F116 V118	V46-I48 HydrophobicContact CG1-CD1 4.41Å; V46-I48 HydrophobicContact CG1-CG1 3.98Å; I48-P50 CarbonylContact O-C 3.58Å; I48-P50 VanDerWaalsContact O-C 3.28Å; I48-E51 VanDerWaalsContact O-CA 3.3Å; I48-E51 WeakPolarHBondContact O-CA 3.46Å; I48-E51 PolarHBondContact O-N 2.9Å; I48-N58 HydrophobicContact CD1-CB 3.81Å; I48-V61 HydrophobicContact CD1-CB 4.37Å; I48-V61 HydrophobicContact CD1-CG1 4.21Å; I48-V61 HydrophobicContact CG2-CG1 4.19Å; I48-V62 HydrophobicContact CD1-CG2 4.13Å; I48-F116 HydrophobicContact CG2-CB 4.49Å; I48-F116 HydrophobicContact CG2-CD1 3.84Å; I48-V118 HydrophobicContact CG1-CG1 4.24Å; I48-V118 HydrophobicContact CG1-CG2 4.29Å; I48-V118 HydrophobicContact CG2-CG2 4.47Å
49	K	91.3	Very high	89.9	Confident	116 Å²	116	60.5 Å²	60.5	50%	0.504	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.9	174.1	-68.8	176.9	-177.1	168.4	0	110.1	D47 F116 K117	D47-K49 WeakPolarHBondContact OD2-CE 3.49Å; K49-F116 WeakPolarHBondContact O-CA 3.39Å; K49-K117 HydrophobicContact CB-CB 4.33Å; K49-K117 PolarHBondContact N-O 3.36Å; K49-K117 PolarHBondContact O-N 3.49Å; K49-K117 VanDerWaalsContact O-N 3.1Å
50	P	87.8	Confident	89.9	Confident	76 Å²	76	61.7 Å²	61.7	49%	0.494	29%	0.288	S	S	.	.	S	Bend	cis	-77.9	138.4	5.8	29.8	-35	0	0	0	115.1	I48 K52 C53	I48-P50 CarbonylContact O-C 3.58Å; I48-P50 VanDerWaalsContact O-C 3.28Å; P50-K52 VanDerWaalsContact C-N 3.33Å; P50-K52 PolarHBondContact O-N 3.05Å; P50-C53 PolarHBondContact O-SG 2.69Å
51	E	77.3	Confident	89.9	Confident	126 Å²	126	58.2 Å²	58.2	59%	0.589	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	-171.3	-66	179.9	-172.2	0	0	115.4	I48 C53	I48-E51 VanDerWaalsContact O-CA 3.3Å; I48-E51 WeakPolarHBondContact O-CA 3.46Å; I48-E51 PolarHBondContact O-N 2.9Å; E51-C53 PolarHBondContact O-N 2.8Å; E51-C53 VanDerWaalsContact O-N 3.08Å
52	K	81.8	Confident	89.9	Confident	207 Å²	207	58.5 Å²	58.5	90%	0.9	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	32.9	-172.1	-66.5	-175.9	-178.9	174.1	0	113.7	P50	P50-K52 VanDerWaalsContact C-N 3.33Å; P50-K52 PolarHBondContact O-N 3.05Å
53	C	83.6	Confident	89.8	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.149	28%	0.276	C	S	.	.			trans	-84.9	145.1	178.7	-73.1	0	0	0	0	112.1	P50 E51 V57 N58	P50-C53 PolarHBondContact O-SG 2.69Å; E51-C53 PolarHBondContact O-N 2.8Å; E51-C53 VanDerWaalsContact O-N 3.08Å; C53-V57 HydrophobicContact CB-CB 4.33Å; C53-V57 HydrophobicContact CB-CG1 4.25Å; C53-N58 WeakPolarHBondContact CB-OD1 3.37Å
54	P	85.6	Confident	89.7	Confident	84 Å²	84	59.9 Å²	59.9	55%	0.545	29%	0.285	S	S	.	.			trans	-59.1	144.9	170.5	-21.3	32	0	0	0	111.1	R56 V57 N58	P54-R56 PolarHBondContact O-N 2.66Å; P54-V57 HydrophobicContact CB-CG2 4.26Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 WeakPolarHBondContact O-CA 3.38Å; P54-V57 WeakPolarHBondContact O-CB 3.38Å; P54-V57 PolarHBondContact O-N 3.06Å; P54-N58 PolarHBondContact O-N 3.44Å; P54-N58 VanDerWaalsContact O-N 3.09Å
55	R	88.3	Confident	89.7	Confident	144 Å²	144	59.7 Å²	59.7	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-52.7	-33.3	179.8	-64.3	-165.9	-166	-176.9	7.2	114.3	N58 R59 G83 K84	R55-N58 PolarHBondContact O-N 2.69Å; R55-R59 WeakPolarHBondContact O-CG 3.41Å; R55-R59 PolarHBondContact O-N 3.11Å; R55-G83 WeakPolarHBondContact CG-O 3.42Å; R55-K84 HydrophobicContact CG-CG 4.45Å; R55-K84 VanDerWaalsContact CZ-CE 3.47Å
56	R	87.1	Confident	89.7	Confident	160 Å²	160	58.8 Å²	58.8	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-62.5	-44.6	175.4	-179.9	174.9	172.7	159	4.9	111.5	P54 N58 R59 E60	P54-R56 PolarHBondContact O-N 2.66Å; R56-N58 VanDerWaalsContact C-N 3.33Å; R56-N58 PolarHBondContact O-N 2.95Å; R56-R59 WeakPolarHBondContact O-CB 3.38Å; R56-R59 PolarHBondContact O-N 3.43Å; R56-E60 WeakPolarHBondContact CG-OE1 3.27Å; R56-E60 IonicContact NE-OE1 3.88Å; R56-E60 PolarHBondContact NE-OE1 2.99Å; R56-E60 VanDerWaalsContact NE-OE1 3.14Å; R56-E60 WeakPolarHBondContact O-CG 3.35Å; R56-E60 PolarHBondContact O-N 2.92Å
57	V	88.7	Confident	89.6	Confident	19 Å²	19	64.8 Å²	64.8	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-42.2	175.9	179.1	0	0	0	0	110.1	C53 P54 R59 E60 V61 L106 F116	C53-V57 HydrophobicContact CB-CB 4.33Å; C53-V57 HydrophobicContact CB-CG1 4.25Å; P54-V57 HydrophobicContact CB-CG2 4.26Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 WeakPolarHBondContact O-CA 3.38Å; P54-V57 WeakPolarHBondContact O-CB 3.38Å; P54-V57 PolarHBondContact O-N 3.06Å; V57-R59 PolarHBondContact O-N 2.95Å; V57-E60 WeakPolarHBondContact O-CB 3.36Å; V57-E60 PolarHBondContact O-N 3.27Å; V57-E60 VanDerWaalsContact O-N 3.15Å; V57-V61 HydrophobicContact CG1-CG2 4.38Å; V57-V61 WeakPolarHBondContact O-CG2 3.46Å; V57-V61 PolarHBondContact O-N 2.94Å; V57-L106 HydrophobicContact CG1-CD1 4.47Å; V57-F116 HydrophobicContact CG1-CE1 4.34Å; V57-F116 HydrophobicContact CG1-CZ 3.93Å
58	N	92.4	Very high	89.5	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.08	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-36.5	176.5	-66.3	1.8	0	0	0	112.4	I48 C53 P54 R55 R56 V62 Y81 G83	I48-N58 HydrophobicContact CD1-CB 3.81Å; C53-N58 WeakPolarHBondContact CB-OD1 3.37Å; P54-N58 PolarHBondContact O-N 3.44Å; P54-N58 VanDerWaalsContact O-N 3.09Å; R55-N58 PolarHBondContact O-N 2.69Å; R56-N58 VanDerWaalsContact C-N 3.33Å; R56-N58 PolarHBondContact O-N 2.95Å; N58-V62 WeakPolarHBondContact O-CG2 3.41Å; N58-V62 PolarHBondContact O-N 3.49Å; N58-Y81 HydrophobicContact CB-CE1 4.06Å; N58-G83 PolarHBondContact ND2-O 2.91Å
59	R	92.6	Very high	89.4	Confident	28 Å²	28	71.6 Å²	71.6	11%	0.106	34%	0.339	C	S	.	.	H	α-helix	trans	-68.4	-43.4	175	-70.1	174.3	179.7	-76.6	-5.7	111.7	R55 R56 V57 V61 V62 D63 Y81 D82	R55-R59 WeakPolarHBondContact O-CG 3.41Å; R55-R59 PolarHBondContact O-N 3.11Å; R56-R59 WeakPolarHBondContact O-CB 3.38Å; R56-R59 PolarHBondContact O-N 3.43Å; V57-R59 PolarHBondContact O-N 2.95Å; R59-V61 VanDerWaalsContact C-N 3.3Å; R59-V61 PolarHBondContact O-N 2.82Å; R59-V62 PolarHBondContact O-N 2.87Å; R59-D63 WeakPolarHBondContact O-CB 3.28Å; R59-D63 PolarHBondContact O-N 2.8Å; R59-Y81 HydrophobicContact CG-CD1 4.13Å; R59-Y81 PolarHBondContact NH1-O 2.98Å; R59-Y81 PolarHBondContact NH2-O 2.86Å; R59-D82 PolarHBondContact NH2-O 3.08Å
60	E	90.8	Very high	89.4	Confident	80 Å²	80	70.8 Å²	70.8	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-39.6	174.5	-69.1	163.9	-171.4	0	0	111.4	R56 V57 S64 L106	R56-E60 WeakPolarHBondContact CG-OE1 3.27Å; R56-E60 IonicContact NE-OE1 3.88Å; R56-E60 PolarHBondContact NE-OE1 2.99Å; R56-E60 VanDerWaalsContact NE-OE1 3.14Å; R56-E60 WeakPolarHBondContact O-CG 3.35Å; R56-E60 PolarHBondContact O-N 2.92Å; V57-E60 WeakPolarHBondContact O-CB 3.36Å; V57-E60 PolarHBondContact O-N 3.27Å; V57-E60 VanDerWaalsContact O-N 3.15Å; E60-S64 WeakPolarHBondContact O-CB 3.32Å; E60-S64 PolarHBondContact O-N 2.82Å; E60-L106 HydrophobicContact CB-CD1 4.12Å
61	V	92.4	Very high	89.5	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-49.2	174.2	172.5	0	0	0	0	110.8	I48 V57 R59 S64 M65 V104 L106 F116 V118	I48-V61 HydrophobicContact CD1-CB 4.37Å; I48-V61 HydrophobicContact CD1-CG1 4.21Å; I48-V61 HydrophobicContact CG2-CG1 4.19Å; V57-V61 HydrophobicContact CG1-CG2 4.38Å; V57-V61 WeakPolarHBondContact O-CG2 3.46Å; V57-V61 PolarHBondContact O-N 2.94Å; R59-V61 VanDerWaalsContact C-N 3.3Å; R59-V61 PolarHBondContact O-N 2.82Å; V61-S64 PolarHBondContact O-N 3.45Å; V61-M65 WeakPolarHBondContact O-CB 3.19Å; V61-M65 PolarHBondContact O-N 2.87Å; V61-V104 HydrophobicContact CG1-CB 4.32Å; V61-V104 HydrophobicContact CG1-CG1 4.2Å; V61-L106 HydrophobicContact CB-CD1 4.38Å; V61-L106 HydrophobicContact CG2-CD1 3.46Å; V61-L106 VanDerWaalsContact CG2-CD1 3.46Å; V61-L106 HydrophobicContact CG2-CG 4.12Å; V61-F116 HydrophobicContact CG1-CB 4.19Å; V61-F116 HydrophobicContact CG1-CG 4.35Å; V61-F116 HydrophobicContact CG2-CB 4.49Å; V61-F116 HydrophobicContact CG2-CD1 3.86Å; V61-F116 HydrophobicContact CG2-CD2 3.78Å; V61-F116 HydrophobicContact CG2-CE1 3.87Å; V61-F116 HydrophobicContact CG2-CE2 3.82Å; V61-F116 HydrophobicContact CG2-CG 3.79Å; V61-F116 HydrophobicContact CG2-CZ 3.82Å; V61-V118 HydrophobicContact CG1-CG2 3.64Å
62	V	93.5	Very high	90	Very high	5 Å²	5	72.7 Å²	72.7	3%	0.03	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-38.7	-179.6	169.7	0	0	0	0	111.7	V46 I48 N58 R59 M65 V66 Y81 L87	V46-V62 HydrophobicContact CG1-CG2 4.33Å; I48-V62 HydrophobicContact CD1-CG2 4.13Å; N58-V62 WeakPolarHBondContact O-CG2 3.41Å; N58-V62 PolarHBondContact O-N 3.49Å; R59-V62 PolarHBondContact O-N 2.87Å; V62-M65 HydrophobicContact CB-CE 4.45Å; V62-M65 HydrophobicContact CG1-CE 4.04Å; V62-M65 HydrophobicContact CG2-CE 4.32Å; V62-M65 WeakPolarHBondContact O-CB 3.39Å; V62-M65 PolarHBondContact O-N 3.4Å; V62-V66 HydrophobicContact CG1-CG2 4.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.41Å; V62-V66 PolarHBondContact O-N 2.77Å; V62-Y81 HydrophobicContact CB-CD1 3.88Å; V62-Y81 HydrophobicContact CB-CE1 4.17Å; V62-Y81 HydrophobicContact CB-CG 4.42Å; V62-Y81 HydrophobicContact CG1-CD1 4.13Å; V62-Y81 HydrophobicContact CG1-CG 4.2Å; V62-Y81 HydrophobicContact CG2-CD1 3.67Å; V62-Y81 HydrophobicContact CG2-CE1 3.51Å; V62-Y81 HydrophobicContact CG2-CE2 4.47Å; V62-Y81 HydrophobicContact CG2-CG 4.19Å; V62-L87 HydrophobicContact CG1-CD1 3.97Å
63	D	92.4	Very high	90.4	Very high	66 Å²	66	63.6 Å²	63.6	35%	0.353	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-45.6	176	-173.5	49.6	0	0	0	111.5	R59 M65 V66 Q67	R59-D63 WeakPolarHBondContact O-CB 3.28Å; R59-D63 PolarHBondContact O-N 2.8Å; D63-M65 VanDerWaalsContact C-N 3.34Å; D63-M65 PolarHBondContact O-N 2.87Å; D63-V66 PolarHBondContact O-N 3.1Å; D63-Q67 WeakPolarHBondContact O-CG 3.47Å; D63-Q67 PolarHBondContact O-N 3.4Å; D63-Q67 PolarHBondContact OD1-NE2 3.22Å; D63-Q67 PolarHBondContact OD2-NE2 3.44Å; D63-Q67 VanDerWaalsContact OD2-NE2 3.16Å
64	S	92.2	Very high	90.8	Very high	29 Å²	29	62.6 Å²	62.6	20%	0.203	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-41.4	173.1	-176.8	0	0	0	0	112.2	E60 V61 V66 Q67 H68	E60-S64 WeakPolarHBondContact O-CB 3.32Å; E60-S64 PolarHBondContact O-N 2.82Å; V61-S64 PolarHBondContact O-N 3.45Å; S64-V66 PolarHBondContact O-N 3.44Å; S64-Q67 PolarHBondContact O-N 3.03Å; S64-H68 VanDerWaalsContact O-CB 3.28Å; S64-H68 WeakPolarHBondContact O-CB 3.32Å; S64-H68 PolarHBondContact O-N 3.31Å
65	M	93.4	Very high	91	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-45.2	175.5	-176.4	-173	63.4	0	0	111.7	V61 V62 D63 Q67 H68 F69 F74 L87 L102 V104 V118	V61-M65 WeakPolarHBondContact O-CB 3.19Å; V61-M65 PolarHBondContact O-N 2.87Å; V62-M65 HydrophobicContact CB-CE 4.45Å; V62-M65 HydrophobicContact CG1-CE 4.04Å; V62-M65 HydrophobicContact CG2-CE 4.32Å; V62-M65 WeakPolarHBondContact O-CB 3.39Å; V62-M65 PolarHBondContact O-N 3.4Å; D63-M65 VanDerWaalsContact C-N 3.34Å; D63-M65 PolarHBondContact O-N 2.87Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; M65-Q67 PolarHBondContact O-N 2.88Å; M65-H68 PolarHBondContact O-N 3.36Å; M65-F69 HydrophobicContact CG-CD2 3.91Å; M65-F69 HydrophobicContact CG-CE2 4.46Å; M65-F69 WeakPolarHBondContact O-CB 3.27Å; M65-F69 WeakPolarHBondContact O-CD2 3.49Å; M65-F69 PolarHBondContact O-N 3.09Å; M65-F74 HydrophobicContact CE-CE2 4.34Å; M65-F74 HydrophobicContact CE-CZ 3.66Å; M65-F74 HydrophobicContact CG-CE2 4.19Å; M65-F74 HydrophobicContact CG-CZ 4.4Å; M65-F74 HydrophobicContact SD-CZ 4.39Å; M65-L87 HydrophobicContact CE-CD1 4.44Å; M65-L102 HydrophobicContact CG-CD1 3.85Å; M65-L102 HydrophobicContact SD-CD1 3.56Å; M65-L102 VanDerWaalsContact SD-CD1 3.56Å; M65-V104 HydrophobicContact CB-CG1 4.41Å; M65-V104 HydrophobicContact CB-CG2 3.68Å; M65-V104 HydrophobicContact CG-CG2 3.84Å; M65-V118 HydrophobicContact SD-CB 4.14Å; M65-V118 HydrophobicContact SD-CG1 3.64Å
66	V	92.8	Very high	91.1	Very high	21 Å²	21	59 Å²	59	13%	0.127	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-40.6	-179.4	172.2	0	0	0	0	111.1	V62 D63 S64 K70 F74 P79	V62-V66 HydrophobicContact CG1-CG2 4.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.41Å; V62-V66 PolarHBondContact O-N 2.77Å; D63-V66 PolarHBondContact O-N 3.1Å; S64-V66 PolarHBondContact O-N 3.44Å; V66-K70 WeakPolarHBondContact O-CA 3.38Å; V66-K70 PolarHBondContact O-N 3.17Å; V66-F74 HydrophobicContact CB-CD2 4.38Å; V66-F74 HydrophobicContact CG1-CB 4.41Å; V66-F74 HydrophobicContact CG1-CG 4.26Å; V66-F74 HydrophobicContact CG2-CD1 4.2Å; V66-F74 HydrophobicContact CG2-CD2 4.34Å; V66-F74 HydrophobicContact CG2-CE1 4.08Å; V66-F74 HydrophobicContact CG2-CE2 4.22Å; V66-F74 HydrophobicContact CG2-CG 4.35Å; V66-F74 HydrophobicContact CG2-CZ 4.11Å; V66-P79 HydrophobicContact CB-CG 4.42Å; V66-P79 HydrophobicContact CG1-CG 4.06Å; V66-P79 HydrophobicContact CG2-CG 3.41Å; V66-P79 VanDerWaalsContact CG2-CG 3.41Å
67	Q	90.9	Very high	91.4	Very high	127 Å²	127	55.1 Å²	55.1	59%	0.593	29%	0.287	S	S	*	.	H	α-helix	trans	-69.5	-44.6	177.3	-67.5	171.6	19.7	0	0	112.1	D63 S64 M65 K70	D63-Q67 WeakPolarHBondContact O-CG 3.47Å; D63-Q67 PolarHBondContact O-N 3.4Å; D63-Q67 PolarHBondContact OD1-NE2 3.22Å; D63-Q67 PolarHBondContact OD2-NE2 3.44Å; D63-Q67 VanDerWaalsContact OD2-NE2 3.16Å; S64-Q67 PolarHBondContact O-N 3.03Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; M65-Q67 PolarHBondContact O-N 2.88Å; Q67-K70 WeakPolarHBondContact O-CB 3.36Å
68	H	91.9	Very high	91.6	Very high	142 Å²	142	57 Å²	57	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-72.1	-40	-175.8	-164.8	72.4	0	0	0	112.8	S64 M65 K70	S64-H68 VanDerWaalsContact O-CB 3.28Å; S64-H68 WeakPolarHBondContact O-CB 3.32Å; S64-H68 PolarHBondContact O-N 3.31Å; M65-H68 PolarHBondContact O-N 3.36Å; H68-K70 VanDerWaalsContact C-N 3.34Å
69	F	91.8	Very high	91.8	Very high	37 Å²	37	56.5 Å²	56.5	16%	0.162	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	27.6	179.8	-61.1	-79.3	0	0	0	112.4	M65 V71 T72 I73 F74 L102 V104	M65-F69 HydrophobicContact CG-CD2 3.91Å; M65-F69 HydrophobicContact CG-CE2 4.46Å; M65-F69 WeakPolarHBondContact O-CB 3.27Å; M65-F69 WeakPolarHBondContact O-CD2 3.49Å; M65-F69 PolarHBondContact O-N 3.09Å; F69-V71 PolarHBondContact O-N 3.08Å; F69-T72 PolarHBondContact O-N 3.2Å; F69-T72 PolarHBondContact O-OG1 3.5Å; F69-I73 HydrophobicContact CB-CD1 4.36Å; F69-I73 PolarHBondContact O-N 3.2Å; F69-F74 HydrophobicContact CB-CD2 4.19Å; F69-F74 HydrophobicContact CB-CE2 4.06Å; F69-F74 WeakPolarHBondContact O-CD2 3.45Å; F69-F74 PolarHBondContact O-N 3.45Å; F69-L102 HydrophobicContact CD1-CD2 3.95Å; F69-L102 HydrophobicContact CD2-CB 4.46Å; F69-L102 HydrophobicContact CD2-CD1 4.34Å; F69-L102 HydrophobicContact CD2-CD2 4.28Å; F69-L102 HydrophobicContact CE1-CD2 3.85Å; F69-L102 HydrophobicContact CE2-CB 3.95Å; F69-L102 HydrophobicContact CE2-CD2 4.2Å; F69-L102 HydrophobicContact CE2-CG 4.49Å; F69-L102 HydrophobicContact CG-CD2 4.16Å; F69-L102 HydrophobicContact CZ-CB 4.16Å; F69-L102 HydrophobicContact CZ-CD2 3.97Å; F69-V104 HydrophobicContact CE2-CG2 4.13Å
70	K	90.9	Very high	91.9	Very high	99 Å²	99	55.2 Å²	55.2	43%	0.43	29%	0.289	S	S	.	.	I	π-helix	trans	-57.1	-50	-179.8	-169.8	-177.7	177	-172.7	0	111.4	V66 Q67 H68 F74 G75 D76	V66-K70 WeakPolarHBondContact O-CA 3.38Å; V66-K70 PolarHBondContact O-N 3.17Å; Q67-K70 WeakPolarHBondContact O-CB 3.36Å; H68-K70 VanDerWaalsContact C-N 3.34Å; K70-F74 PolarHBondContact O-N 3.3Å; K70-G75 WeakPolarHBondContact CE-O 3.45Å; K70-G75 WeakPolarHBondContact CG-O 3.44Å; K70-G75 VanDerWaalsContact O-CA 3.25Å; K70-G75 WeakPolarHBondContact O-CA 3.21Å; K70-G75 PolarHBondContact O-N 3.16Å; K70-D76 WeakPolarHBondContact CE-OD1 3.48Å; K70-D76 IonicContact NZ-OD1 3.57Å; K70-D76 PolarHBondContact NZ-OD1 2.79Å
71	V	88.9	Confident	92.1	Very high	146 Å²	146	51.4 Å²	51.4	89%	0.885	27%	0.271	S	S	*	.	I	π-helix	trans	-70.6	-36.4	-174.9	-179.7	0	0	0	0	112.4	F69	F69-V71 PolarHBondContact O-N 3.08Å
72	T	88	Confident	92.1	Very high	96 Å²	96	52.5 Å²	52.5	59%	0.589	28%	0.277	S	S	*	.	I	π-helix	trans	-85.9	-35	-171.5	49.5	0	0	0	0	113.7	F69	F69-T72 PolarHBondContact O-N 3.2Å; F69-T72 PolarHBondContact O-OG1 3.5Å
73	I	90.2	Very high	91.9	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.077	28%	0.275	C	S	.	.	I	π-helix	trans	-124.6	-55.6	-170.4	-61.2	177.8	0	0	0	111.9	F69 L93 P94 V95 V100 L102 M120	F69-I73 HydrophobicContact CB-CD1 4.36Å; F69-I73 PolarHBondContact O-N 3.2Å; I73-L93 HydrophobicContact CG2-CD1 4.5Å; I73-P94 WeakPolarHBondContact O-CD 3.4Å; I73-V95 HydrophobicContact CG2-CG2 4.11Å; I73-V100 HydrophobicContact CD1-CG1 4.26Å; I73-V100 HydrophobicContact CD1-CG2 4.33Å; I73-L102 HydrophobicContact CD1-CD1 3.78Å; I73-L102 HydrophobicContact CD1-CD2 3.63Å; I73-L102 HydrophobicContact CD1-CG 4.28Å; I73-M120 HydrophobicContact CG2-CE 3.9Å
74	F	91.6	Very high	91.8	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.282	C	S	.	.	I	π-helix	trans	-83.9	-28.8	-165.5	-61	-76.5	0	0	0	113	M65 V66 F69 K70 D76 R77 P79 L93 M120	M65-F74 HydrophobicContact CE-CE2 4.34Å; M65-F74 HydrophobicContact CE-CZ 3.66Å; M65-F74 HydrophobicContact CG-CE2 4.19Å; M65-F74 HydrophobicContact CG-CZ 4.4Å; M65-F74 HydrophobicContact SD-CZ 4.39Å; V66-F74 HydrophobicContact CB-CD2 4.38Å; V66-F74 HydrophobicContact CG1-CB 4.41Å; V66-F74 HydrophobicContact CG1-CG 4.26Å; V66-F74 HydrophobicContact CG2-CD1 4.2Å; V66-F74 HydrophobicContact CG2-CD2 4.34Å; V66-F74 HydrophobicContact CG2-CE1 4.08Å; V66-F74 HydrophobicContact CG2-CE2 4.22Å; V66-F74 HydrophobicContact CG2-CG 4.35Å; V66-F74 HydrophobicContact CG2-CZ 4.11Å; F69-F74 HydrophobicContact CB-CD2 4.19Å; F69-F74 HydrophobicContact CB-CE2 4.06Å; F69-F74 WeakPolarHBondContact O-CD2 3.45Å; F69-F74 PolarHBondContact O-N 3.45Å; K70-F74 PolarHBondContact O-N 3.3Å; F74-D76 PolarHBondContact O-N 3.02Å; F74-R77 WeakPolarHBondContact O-CB 3.22Å; F74-R77 WeakPolarHBondContact O-CD 3.21Å; F74-R77 WeakPolarHBondContact O-CG 3.29Å; F74-R77 PolarHBondContact O-N 3.1Å; F74-R77 PolarHBondContact O-NH1 2.87Å; F74-P79 HydrophobicContact CD1-CG 3.92Å; F74-P79 HydrophobicContact CE1-CG 4.13Å; F74-L93 HydrophobicContact CD1-CD1 4.18Å; F74-L93 HydrophobicContact CD1-CD2 4.05Å; F74-L93 HydrophobicContact CE1-CD1 3.93Å; F74-M120 HydrophobicContact CE1-CE 4.24Å; F74-M120 HydrophobicContact CE1-SD 4.41Å; F74-M120 HydrophobicContact CZ-CE 3.95Å; F74-M120 HydrophobicContact CZ-SD 4.38Å
75	G	90.9	Very high	91.7	Very high	24 Å²	24	58.9 Å²	58.9	25%	0.247	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-131.4	-170.9	0	0	0	0	0	110.4	K70 R77	K70-G75 WeakPolarHBondContact CE-O 3.45Å; K70-G75 WeakPolarHBondContact CG-O 3.44Å; K70-G75 VanDerWaalsContact O-CA 3.25Å; K70-G75 WeakPolarHBondContact O-CA 3.21Å; K70-G75 PolarHBondContact O-N 3.16Å; G75-R77 VanDerWaalsContact C-N 3.34Å
76	D	89.9	Confident	91.7	Very high	129 Å²	129	59.4 Å²	59.4	69%	0.69	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	6.2	173.8	-63.8	-47.3	0	0	0	113.9	K70 F74	K70-D76 WeakPolarHBondContact CE-OD1 3.48Å; K70-D76 IonicContact NZ-OD1 3.57Å; K70-D76 PolarHBondContact NZ-OD1 2.79Å; F74-D76 PolarHBondContact O-N 3.02Å
77	R	92.4	Very high	91.9	Very high	79 Å²	79	58.4 Å²	58.4	30%	0.298	29%	0.292	S	S	.	.			trans	-72.3	143.6	-179.4	-58.5	163.3	-174.7	69.6	2.8	110.7	F74 G75 P79 P92 E392	F74-R77 WeakPolarHBondContact O-CB 3.22Å; F74-R77 WeakPolarHBondContact O-CD 3.21Å; F74-R77 WeakPolarHBondContact O-CG 3.29Å; F74-R77 PolarHBondContact O-N 3.1Å; F74-R77 PolarHBondContact O-NH1 2.87Å; G75-R77 VanDerWaalsContact C-N 3.34Å; R77-P79 WeakPolarHBondContact O-CD 3.37Å; R77-P92 PolarHBondContact NE-O 3.44Å; R77-P92 PolarHBondContact NH2-O 3.28Å; R77-E392 WeakPolarHBondContact CA-OE1 3.35Å
78	L	94.1	Very high	92.1	Very high	57 Å²	57	52.4 Å²	52.4	30%	0.298	26%	0.263	S	S	.	.			trans	-110.2	89.9	177.9	-62.9	178.6	0	0	0	110.9	P388 F389 E392	L78-P388 HydrophobicContact CD1-CB 3.87Å; L78-F389 HydrophobicContact CB-CD1 3.9Å; L78-F389 HydrophobicContact CB-CE1 4.04Å; L78-E392 HydrophobicContact CB-CB 4.23Å; L78-E392 HydrophobicContact CB-CG 4.05Å; L78-E392 PolarHBondContact N-OE1 2.85Å
79	P	95.4	Very high	92.3	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.039	23%	0.232	C	C	.	.			trans	-67.9	144.5	-180	27.3	-34.3	0	0	0	112	V66 F74 R77 L87 Y88 T89	V66-P79 HydrophobicContact CB-CG 4.42Å; V66-P79 HydrophobicContact CG1-CG 4.06Å; V66-P79 HydrophobicContact CG2-CG 3.41Å; V66-P79 VanDerWaalsContact CG2-CG 3.41Å; F74-P79 HydrophobicContact CD1-CG 3.92Å; F74-P79 HydrophobicContact CE1-CG 4.13Å; R77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-L87 HydrophobicContact CB-CD1 4.05Å; P79-L87 HydrophobicContact CB-CD2 3.78Å; P79-L87 HydrophobicContact CB-CG 3.95Å; P79-Y88 WeakPolarHBondContact CA-O 3.17Å; P79-T89 HydrophobicContact CB-CG2 3.78Å
80	V	96.1	Very high	92.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.9	172.2	-63.1	0	0	0	0	111	L87 Y88 V160 V161 H164 F389 F393	V80-L87 CarbonylContact O-C 3.59Å; V80-L87 WeakPolarHBondContact O-CA 3.38Å; V80-Y88 HydrophobicContact CG2-CD2 4.29Å; V80-Y88 PolarHBondContact N-O 3.07Å; V80-Y88 PolarHBondContact O-N 3.06Å; V80-V160 HydrophobicContact CB-CG1 4.28Å; V80-V160 HydrophobicContact CG2-CG1 4.04Å; V80-V161 HydrophobicContact CG2-CB 4.46Å; V80-V161 HydrophobicContact CG2-CG2 3.73Å; V80-H164 HydrophobicContact CB-CB 3.99Å; V80-H164 HydrophobicContact CG1-CB 3.8Å; V80-F389 HydrophobicContact CG1-CB 3.92Å; V80-F389 HydrophobicContact CG1-CD1 3.79Å; V80-F389 HydrophobicContact CG1-CG 4.19Å; V80-F393 HydrophobicContact CB-CE2 4.47Å; V80-F393 HydrophobicContact CG1-CD2 4.47Å; V80-F393 HydrophobicContact CG1-CE2 3.81Å; V80-F393 HydrophobicContact CG1-CZ 4.46Å; V80-F393 HydrophobicContact CG2-CE2 3.96Å; V80-F393 HydrophobicContact CG2-CZ 3.77Å
81	Y	95.4	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.8	-173.4	-179.4	-131.5	0	0	0	113	V46 N58 R59 V62 G83 K84 S86 L87 H164	V46-Y81 HydrophobicContact CB-CE2 4.3Å; N58-Y81 HydrophobicContact CB-CE1 4.06Å; R59-Y81 HydrophobicContact CG-CD1 4.13Å; R59-Y81 PolarHBondContact NH1-O 2.98Å; R59-Y81 PolarHBondContact NH2-O 2.86Å; V62-Y81 HydrophobicContact CB-CD1 3.88Å; V62-Y81 HydrophobicContact CB-CE1 4.17Å; V62-Y81 HydrophobicContact CB-CG 4.42Å; V62-Y81 HydrophobicContact CG1-CD1 4.13Å; V62-Y81 HydrophobicContact CG1-CG 4.2Å; V62-Y81 HydrophobicContact CG2-CD1 3.67Å; V62-Y81 HydrophobicContact CG2-CE1 3.51Å; V62-Y81 HydrophobicContact CG2-CE2 4.47Å; V62-Y81 HydrophobicContact CG2-CG 4.19Å; Y81-G83 VanDerWaalsContact C-N 3.32Å; Y81-K84 VanDerWaalsContact CZ-N 3.32Å; Y81-K84 WeakPolarHBondContact OH-CA 3.47Å; Y81-K84 PolarHBondContact OH-N 2.89Å; Y81-K84 PolarHBondContact OH-O 3.11Å; Y81-S86 WeakPolarHBondContact CD2-O 3.3Å; Y81-L87 HydrophobicContact CD2-CB 4.22Å; Y81-H164 PolarHBondContact N-CE1 3.31Å; Y81-H164 PolarHBondContact N-ND1 2.84Å; Y81-H164 PolarHBondContact O-ND1 3.27Å
82	D	91.1	Very high	92.6	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.123	21%	0.205	C	C	.	.			trans	-80.7	-8.5	178.5	74	-4.8	0	0	0	114	R59 K84 R85 S86 V160	R59-D82 PolarHBondContact NH2-O 3.08Å; D82-K84 WeakPolarHBondContact OD1-CA 3.42Å; D82-K84 PolarHBondContact OD1-N 2.98Å; D82-R85 PolarHBondContact OD1-N 3.34Å; D82-S86 PolarHBondContact N-O 3.47Å; D82-S86 PolarHBondContact OD1-N 3.01Å; D82-S86 VanDerWaalsContact OD2-CB 3.29Å; D82-S86 WeakPolarHBondContact OD2-CB 3.33Å; D82-S86 PolarHBondContact OD2-N 2.9Å; D82-S86 PolarHBondContact OD2-OG 2.94Å; D82-V160 HydrophobicContact CB-CG1 4.34Å; D82-V160 HydrophobicContact CB-CG2 3.87Å
83	G	89.9	Confident	92.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	83.7	9.1	-177.7	0	0	0	0	0	113.9	R55 N58 Y81	R55-G83 WeakPolarHBondContact CG-O 3.42Å; N58-G83 PolarHBondContact ND2-O 2.91Å; Y81-G83 VanDerWaalsContact C-N 3.32Å
84	K	89.8	Confident	92.7	Very high	113 Å²	113	38.2 Å²	38.2	49%	0.491	21%	0.205	S	C	.	.	S	Bend	trans	-129.6	-70.8	179.1	-77.7	-170.3	172.9	-176	0	113.2	R55 Y81 D82	R55-K84 HydrophobicContact CG-CG 4.45Å; R55-K84 VanDerWaalsContact CZ-CE 3.47Å; Y81-K84 VanDerWaalsContact CZ-N 3.32Å; Y81-K84 WeakPolarHBondContact OH-CA 3.47Å; Y81-K84 PolarHBondContact OH-N 2.89Å; Y81-K84 PolarHBondContact OH-O 3.11Å; D82-K84 WeakPolarHBondContact OD1-CA 3.42Å; D82-K84 PolarHBondContact OD1-N 2.98Å
85	R	91.3	Very high	92.3	Very high	122 Å²	122	38.9 Å²	38.9	46%	0.46	21%	0.209	S	C	.	.	S	Bend	trans	-148.7	-22.9	-169.4	-73.2	-163.5	177.5	-171.2	-0.1	113.6	E45 V46 D82	E45-R85 CarbonylContact C-O 3.6Å; E45-R85 VanDerWaalsContact CA-O 3.27Å; E45-R85 WeakPolarHBondContact CA-O 3.29Å; E45-R85 HydrophobicContact CG-CB 4.32Å; E45-R85 IonicContact OE1-NH1 2.97Å; E45-R85 PolarHBondContact OE1-NH1 3.42Å; V46-R85 PolarHBondContact N-O 3.36Å; V46-R85 WeakPolarHBondContact O-CA 2.99Å; D82-R85 PolarHBondContact OD1-N 3.34Å
86	S	93.6	Very high	91.3	Very high	11 Å²	11	41 Å²	41	8%	0.077	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.7	-173	-32.7	0	0	0	0	110.5	Y81 D82 S151	Y81-S86 WeakPolarHBondContact CD2-O 3.3Å; D82-S86 PolarHBondContact N-O 3.47Å; D82-S86 PolarHBondContact OD1-N 3.01Å; D82-S86 VanDerWaalsContact OD2-CB 3.29Å; D82-S86 WeakPolarHBondContact OD2-CB 3.33Å; D82-S86 PolarHBondContact OD2-N 2.9Å; D82-S86 PolarHBondContact OD2-OG 2.94Å; S86-S151 WeakPolarHBondContact OG-CB 3.22Å
87	L	95.6	Very high	90.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.5	173.7	-177.3	146.9	0	0	0	109.4	Y44 V46 V62 M65 P79 V80 Y81 T89 L93 M120	Y44-L87 HydrophobicContact CD2-CD2 3.89Å; Y44-L87 HydrophobicContact CG-CD2 4.33Å; Y44-L87 PolarHBondContact N-O 2.77Å; Y44-L87 PolarHBondContact O-N 2.81Å; V46-L87 HydrophobicContact CG2-CB 3.64Å; V46-L87 HydrophobicContact CG2-CD1 3.97Å; V46-L87 HydrophobicContact CG2-CG 4.41Å; V62-L87 HydrophobicContact CG1-CD1 3.97Å; M65-L87 HydrophobicContact CE-CD1 4.44Å; P79-L87 HydrophobicContact CB-CD1 4.05Å; P79-L87 HydrophobicContact CB-CD2 3.78Å; P79-L87 HydrophobicContact CB-CG 3.95Å; V80-L87 CarbonylContact O-C 3.59Å; V80-L87 WeakPolarHBondContact O-CA 3.38Å; Y81-L87 HydrophobicContact CD2-CB 4.22Å; L87-T89 HydrophobicContact CD2-CG2 4.07Å; L87-L93 HydrophobicContact CD2-CD1 4.45Å; L87-M120 HydrophobicContact CD2-SD 4.37Å
88	Y	96.1	Very high	89.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.1	-179.1	-53.5	-96.1	0	0	0	110.9	V41 Y42 L43 P79 V80 V126 S151 H156 A157 V160	V41-Y88 HydrophobicContact CG1-CD1 4.47Å; Y42-Y88 VanDerWaalsContact O-CA 3.29Å; Y42-Y88 WeakPolarHBondContact O-CA 3.43Å; L43-Y88 HydrophobicContact CB-CD1 4.23Å; L43-Y88 HydrophobicContact CB-CE1 4.12Å; L43-Y88 HydrophobicContact CD1-CD1 3.94Å; L43-Y88 HydrophobicContact CD1-CE1 3.41Å; L43-Y88 VanDerWaalsContact CD1-CE1 3.41Å; L43-Y88 HydrophobicContact CD1-CE2 4.24Å; L43-Y88 HydrophobicContact CG-CE1 4.21Å; P79-Y88 WeakPolarHBondContact CA-O 3.17Å; V80-Y88 HydrophobicContact CG2-CD2 4.29Å; V80-Y88 PolarHBondContact N-O 3.07Å; V80-Y88 PolarHBondContact O-N 3.06Å; Y88-V126 HydrophobicContact CE1-CG2 4.34Å; Y88-S151 WeakPolarHBondContact OH-CA 3.27Å; Y88-S151 PolarHBondContact OH-O 3.47Å; Y88-H156 AromaticContact CZ-ND1 3.96Å; Y88-H156 PolarHBondContact OH-CE1 3.26Å; Y88-H156 PolarHBondContact OH-ND1 3.35Å; Y88-A157 HydrophobicContact CD1-CB 3.89Å; Y88-A157 HydrophobicContact CE1-CB 3.7Å; Y88-A157 HydrophobicContact CG-CB 4.5Å; Y88-V160 HydrophobicContact CD2-CB 4.24Å; Y88-V160 HydrophobicContact CD2-CG1 3.93Å; Y88-V160 HydrophobicContact CE2-CB 4.06Å; Y88-V160 HydrophobicContact CE2-CG1 4.03Å; Y88-V160 HydrophobicContact CE2-CG2 4.03Å
89	T	96	Very high	89	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.8	170.8	60.8	0	0	0	0	111.5	V41 Y42 Y44 P79 L87 S91 L93	V41-T89 VanDerWaalsContact CG1-O 3.26Å; V41-T89 WeakPolarHBondContact CG1-O 3.37Å; Y42-T89 PolarHBondContact N-O 3.46Å; Y42-T89 PolarHBondContact O-N 2.77Å; Y42-T89 VanDerWaalsContact O-N 3.11Å; Y44-T89 HydrophobicContact CE2-CG2 4.32Å; Y44-T89 WeakPolarHBondContact CE2-OG1 3.36Å; P79-T89 HydrophobicContact CB-CG2 3.78Å; L87-T89 HydrophobicContact CD2-CG2 4.07Å; T89-S91 VanDerWaalsContact C-N 3.3Å; T89-S91 VanDerWaalsContact CB-O 3.32Å; T89-S91 WeakPolarHBondContact CB-O 3.47Å; T89-S91 PolarHBondContact OG1-O 2.91Å; T89-L93 HydrophobicContact CG2-CD1 3.9Å; T89-L93 HydrophobicContact CG2-CD2 4.2Å; T89-L93 HydrophobicContact CG2-CG 4Å
90	A	93.5	Very high	88.7	Confident	17 Å²	17	41 Å²	41	14%	0.14	26%	0.263	C	S	.	.	S	Bend	trans	-70.8	-26.9	176.1	0	0	0	0	0	112.8	E392 F393	A90-E392 HydrophobicContact CB-CG 4.29Å; A90-F393 HydrophobicContact CB-CD1 4.07Å; A90-F393 HydrophobicContact CB-CE1 4.18Å; A90-F393 HydrophobicContact CB-CG 4.42Å
91	S	92.1	Very high	88.5	Confident	53 Å²	53	47.6 Å²	47.6	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	-127.4	156.1	179.4	-73.6	0	0	0	0	111	T89	T89-S91 VanDerWaalsContact C-N 3.3Å; T89-S91 VanDerWaalsContact CB-O 3.32Å; T89-S91 WeakPolarHBondContact CB-O 3.47Å; T89-S91 PolarHBondContact OG1-O 2.91Å
92	P	92.4	Very high	88.4	Confident	61 Å²	61	48.1 Å²	48.1	40%	0.396	30%	0.3	S	S	.	.			trans	-63.9	144.8	-178.5	24.3	-30.5	0	0	0	111.4	Y42 R77	Y42-P92 HydrophobicContact CD1-CB 3.99Å; Y42-P92 HydrophobicContact CE1-CB 3.59Å; Y42-P92 HydrophobicContact CE1-CG 4.23Å; Y42-P92 HydrophobicContact CE2-CB 4.27Å; Y42-P92 VanDerWaalsContact CE2-CD 3.48Å; Y42-P92 HydrophobicContact CE2-CG 4.35Å; R77-P92 PolarHBondContact NE-O 3.44Å; R77-P92 PolarHBondContact NH2-O 3.28Å
93	L	91.9	Very high	88.4	Confident	12 Å²	12	52 Å²	52	6%	0.063	32%	0.321	C	S	.	.			trans	-95.1	151.5	168.9	-62.8	178	0	0	0	109.1	Y44 I73 F74 L87 T89 V95 M120	Y44-L93 HydrophobicContact CD2-CD1 4.21Å; Y44-L93 HydrophobicContact CE1-CB 4.07Å; Y44-L93 HydrophobicContact CE1-CD1 4.25Å; Y44-L93 HydrophobicContact CE1-CG 4.45Å; Y44-L93 HydrophobicContact CE2-CD1 3.9Å; Y44-L93 HydrophobicContact CE2-CG 4.09Å; Y44-L93 PolarHBondContact OH-N 3.05Å; I73-L93 HydrophobicContact CG2-CD1 4.5Å; F74-L93 HydrophobicContact CD1-CD1 4.18Å; F74-L93 HydrophobicContact CD1-CD2 4.05Å; F74-L93 HydrophobicContact CE1-CD1 3.93Å; L87-L93 HydrophobicContact CD2-CD1 4.45Å; T89-L93 HydrophobicContact CG2-CD1 3.9Å; T89-L93 HydrophobicContact CG2-CD2 4.2Å; T89-L93 HydrophobicContact CG2-CG 4Å; L93-V95 HydrophobicContact CB-CB 4.5Å; L93-V95 HydrophobicContact CB-CG2 3.85Å; L93-V95 PolarHBondContact O-N 2.9Å; L93-M120 HydrophobicContact CD1-CE 4.19Å; L93-M120 HydrophobicContact CD1-SD 4.2Å
94	P	88.1	Confident	88.5	Confident	94 Å²	94	52.2 Å²	52.2	61%	0.61	32%	0.322	S	S	*	.	S	Bend	trans	-75	55.3	176.3	34.2	-36.3	0	0	0	111.2	I73	I73-P94 WeakPolarHBondContact O-CD 3.4Å
95	V	82.8	Confident	88.4	Confident	15 Å²	15	50.2 Å²	50.2	9%	0.091	32%	0.32	C	S	.	.			trans	-120.6	112.8	-176.6	-178.2	0	0	0	0	107.7	Y44 I73 L93 V100 M120	Y44-V95 HydrophobicContact CE1-CB 4.2Å; I73-V95 HydrophobicContact CG2-CG2 4.11Å; L93-V95 HydrophobicContact CB-CB 4.5Å; L93-V95 HydrophobicContact CB-CG2 3.85Å; L93-V95 PolarHBondContact O-N 2.9Å; V95-V100 HydrophobicContact CG1-CG1 3.99Å; V95-V100 HydrophobicContact CG2-CG1 4.14Å; V95-M120 HydrophobicContact CG2-CE 3.67Å
96	A	69.9	Low	88.2	Confident	70 Å²	70	45 Å²	45	58%	0.579	30%	0.301	S	S	*	.			trans	-68.3	166.2	177.4	0	0	0	0	0	111.7	G98 G99	A96-G98 PolarHBondContact O-N 3.24Å; A96-G99 PolarHBondContact O-N 2.85Å
97	T	71.1	Confident	87.4	Confident	119 Å²	119	50 Å²	50	73%	0.73	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.5	174.4	40.4	0	0	0	0	113.4	G99 F122	T97-G99 PolarHBondContact O-N 2.85Å; T97-F122 HydrophobicContact CG2-CD1 4.4Å
98	G	70.9	Confident	85.9	Confident	77 Å²	77	50.7 Å²	50.7	79%	0.794	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11	173.5	0	0	0	0	0	115	A96	A96-G98 PolarHBondContact O-N 3.24Å
99	G	85.4	Confident	84	Confident	32 Å²	32	55.7 Å²	55.7	33%	0.33	36%	0.364	S	S	.	.			trans	78.8	173.3	-179.3	0	0	0	0	0	114.4	A96 T97 M120	A96-G99 PolarHBondContact O-N 2.85Å; T97-G99 PolarHBondContact O-N 2.85Å; G99-M120 CarbonylContact C-O 3.58Å; G99-M120 WeakPolarHBondContact CA-O 3.41Å
100	V	90.7	Very high	82	Confident	43 Å²	43	57.8 Å²	57.8	26%	0.261	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.3	174.4	61.9	0	0	0	0	109.5	I73 V95 L102 S119 M120	I73-V100 HydrophobicContact CD1-CG1 4.26Å; I73-V100 HydrophobicContact CD1-CG2 4.33Å; V95-V100 HydrophobicContact CG1-CG1 3.99Å; V95-V100 HydrophobicContact CG2-CG1 4.14Å; V100-L102 HydrophobicContact CG1-CD1 4.32Å; V100-L102 HydrophobicContact CG1-CG 4.37Å; V100-L102 HydrophobicContact CG2-CD2 3.84Å; V100-L102 HydrophobicContact CG2-CG 4.19Å; V100-S119 CarbonylContact O-C 3.58Å; V100-S119 WeakPolarHBondContact O-CA 3.2Å; V100-M120 HydrophobicContact CG1-CB 4.1Å; V100-M120 HydrophobicContact CG1-CE 3.98Å; V100-M120 PolarHBondContact N-O 3.26Å; V100-M120 PolarHBondContact O-N 3.23Å
101	D	92.1	Very high	80.2	Confident	137 Å²	137	60.6 Å²	60.6	73%	0.733	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.2	172.9	-74.1	-25.8	0	0	0	109.8	S119	D101-S119 WeakPolarHBondContact OD1-CB 3.42Å
102	L	91.9	Very high	79.1	Confident	11 Å²	11	66.1 Å²	66.1	6%	0.058	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.3	-173.9	-59.5	172.1	0	0	0	109.6	M65 F69 I73 V100 V118	M65-L102 HydrophobicContact CG-CD1 3.85Å; M65-L102 HydrophobicContact SD-CD1 3.56Å; M65-L102 VanDerWaalsContact SD-CD1 3.56Å; F69-L102 HydrophobicContact CD1-CD2 3.95Å; F69-L102 HydrophobicContact CD2-CB 4.46Å; F69-L102 HydrophobicContact CD2-CD1 4.34Å; F69-L102 HydrophobicContact CD2-CD2 4.28Å; F69-L102 HydrophobicContact CE1-CD2 3.85Å; F69-L102 HydrophobicContact CE2-CB 3.95Å; F69-L102 HydrophobicContact CE2-CD2 4.2Å; F69-L102 HydrophobicContact CE2-CG 4.49Å; F69-L102 HydrophobicContact CG-CD2 4.16Å; F69-L102 HydrophobicContact CZ-CB 4.16Å; F69-L102 HydrophobicContact CZ-CD2 3.97Å; I73-L102 HydrophobicContact CD1-CD1 3.78Å; I73-L102 HydrophobicContact CD1-CD2 3.63Å; I73-L102 HydrophobicContact CD1-CG 4.28Å; V100-L102 HydrophobicContact CG1-CD1 4.32Å; V100-L102 HydrophobicContact CG1-CG 4.37Å; V100-L102 HydrophobicContact CG2-CD2 3.84Å; V100-L102 HydrophobicContact CG2-CG 4.19Å; L102-V118 HydrophobicContact CB-CB 4.46Å; L102-V118 PolarHBondContact N-O 3.31Å; L102-V118 PolarHBondContact O-N 3.25Å
103	D	92.2	Very high	78.5	Confident	106 Å²	106	68.7 Å²	68.7	57%	0.567	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.7	172.3	-71.2	-45.9	0	0	0	109.1	K117	D103-K117 WeakPolarHBondContact OD1-CG 3.22Å
104	V	90.8	Very high	78.2	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.018	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.6	-177.2	-176.8	0	0	0	0	108.8	V61 M65 F69 F116 V118	V61-V104 HydrophobicContact CG1-CB 4.32Å; V61-V104 HydrophobicContact CG1-CG1 4.2Å; M65-V104 HydrophobicContact CB-CG1 4.41Å; M65-V104 HydrophobicContact CB-CG2 3.68Å; M65-V104 HydrophobicContact CG-CG2 3.84Å; F69-V104 HydrophobicContact CE2-CG2 4.13Å; V104-F116 PolarHBondContact N-O 3.19Å; V104-F116 WeakPolarHBondContact O-CB 3.27Å; V104-F116 PolarHBondContact O-N 3.05Å; V104-V118 HydrophobicContact CB-CG2 4.32Å; V104-V118 HydrophobicContact CG2-CB 4.44Å; V104-V118 HydrophobicContact CG2-CG2 3.83Å
105	T	88.6	Confident	78.2	Confident	71 Å²	71	73.2 Å²	73.2	44%	0.436	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128	178.6	-57.9	0	0	0	0	110	D113	T105-D113 HydrophobicContact CG2-CB 3.52Å
106	L	85.8	Confident	78.7	Confident	14 Å²	14	72.7 Å²	72.7	7%	0.073	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.2	169.1	-67.5	-176.2	0	0	0	110.8	V57 E60 V61 G108 R114 F116	V57-L106 HydrophobicContact CG1-CD1 4.47Å; E60-L106 HydrophobicContact CB-CD1 4.12Å; V61-L106 HydrophobicContact CB-CD1 4.38Å; V61-L106 HydrophobicContact CG2-CD1 3.46Å; V61-L106 VanDerWaalsContact CG2-CD1 3.46Å; V61-L106 HydrophobicContact CG2-CG 4.12Å; L106-G108 PolarHBondContact O-N 3.42Å; L106-R114 PolarHBondContact N-O 2.89Å; L106-R114 PolarHBondContact O-N 2.86Å; L106-F116 HydrophobicContact CB-CE2 4.04Å; L106-F116 HydrophobicContact CD1-CD2 4.44Å; L106-F116 HydrophobicContact CD1-CE2 3.77Å; L106-F116 HydrophobicContact CD1-CZ 4.27Å; L106-F116 HydrophobicContact CG-CD2 4.27Å; L106-F116 HydrophobicContact CG-CE2 3.93Å
107	P	78.5	Confident	79.8	Confident	114 Å²	114	76 Å²	76	74%	0.74	46%	0.458	S	S	*	.			trans	-63.5	119.7	171	26.4	-32.3	0	0	0	109.2
108	G	63.2	Low	80.9	Confident	15 Å²	15	70.3 Å²	70.3	16%	0.155	42%	0.424	C	S	.	.			trans	-88.2	158.9	178.7	0	0	0	0	0	113.7	L106 G110 G111 K112	L106-G108 PolarHBondContact O-N 3.42Å; G108-G110 PolarHBondContact O-N 3Å; G108-G110 VanDerWaalsContact O-N 3.14Å; G108-G111 PolarHBondContact O-N 3.08Å; G108-K112 WeakPolarHBondContact CA-O 3.43Å; G108-K112 PolarHBondContact N-O 3.02Å
109	E	56.7	Low	81.9	Confident	106 Å²	106	68.5 Å²	68.5	50%	0.495	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	114.1	173.2	-69.4	-176.8	176.1	0	0	109.6	K274	E109-K274 WeakPolarHBondContact OE1-CD 3.38Å; E109-K274 WeakPolarHBondContact OE1-CE 3.47Å; E109-K274 IonicContact OE1-NZ 2.85Å; E109-K274 PolarHBondContact OE1-NZ 3.23Å; E109-K274 PolarHBondContact OE2-N 3.3Å
110	G	53.9	Low	82.3	Confident	43 Å²	43	67 Å²	67	44%	0.443	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	23.1	179	0	0	0	0	0	116.1	G108 K112 M271	G108-G110 PolarHBondContact O-N 3Å; G108-G110 VanDerWaalsContact O-N 3.14Å; G110-K112 VanDerWaalsContact C-N 3.26Å; G110-K112 PolarHBondContact O-N 3.28Å; G110-M271 WeakPolarHBondContact CA-SD 3.28Å
111	G	55.9	Low	82.4	Confident	76 Å²	76	71.1 Å²	71.1	78%	0.784	39%	0.394	S	S	*	.	S	Bend	trans	75.1	10.8	173.3	0	0	0	0	0	114.8	G108	G108-G111 PolarHBondContact O-N 3.08Å
112	K	67.4	Low	82.5	Confident	170 Å²	170	67.5 Å²	67.5	74%	0.739	37%	0.372	S	S	*	.			trans	-99.9	116.7	170.7	-72.2	-169.4	177.7	-171.2	0	109.8	G108 G110	G108-K112 WeakPolarHBondContact CA-O 3.43Å; G108-K112 PolarHBondContact N-O 3.02Å; G110-K112 VanDerWaalsContact C-N 3.26Å; G110-K112 PolarHBondContact O-N 3.28Å
113	D	80.5	Confident	82.4	Confident	114 Å²	114	70 Å²	70	61%	0.61	39%	0.387	S	S	*	.			trans	-59	139.6	173.6	-75.1	-14.5	0	0	0	111.8	T105 P115	T105-D113 HydrophobicContact CG2-CB 3.52Å; D113-P115 VanDerWaalsContact O-CD 3.32Å; D113-P115 WeakPolarHBondContact O-CD 3.42Å
114	R	84.8	Confident	82.3	Confident	100 Å²	100	66.3 Å²	66.3	38%	0.377	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	100.4	177	-68.9	179.8	62.1	-164.9	-2.3	108.4	L106 F116	L106-R114 PolarHBondContact N-O 2.89Å; L106-R114 PolarHBondContact O-N 2.86Å; R114-F116 HydrophobicContact CB-CD2 4.47Å; R114-F116 HydrophobicContact CB-CE2 3.73Å; R114-F116 HydrophobicContact CB-CZ 4.39Å; R114-F116 VanDerWaalsContact NH2-CZ 3.34Å; R114-F116 WeakPolarHBondContact O-CD2 3.37Å; R114-F116 WeakPolarHBondContact O-CE2 3.35Å
115	P	89.6	Confident	82.3	Confident	101 Å²	101	70.4 Å²	70.4	66%	0.656	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	139	174.8	30.4	-33.9	0	0	0	110.2	D113	D113-P115 VanDerWaalsContact O-CD 3.32Å; D113-P115 WeakPolarHBondContact O-CD 3.42Å
116	F	92.4	Very high	82.4	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.018	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.5	172.7	-66.2	-94.9	0	0	0	109.1	I48 K49 V57 V61 V104 L106 R114 V118	I48-F116 HydrophobicContact CG2-CB 4.49Å; I48-F116 HydrophobicContact CG2-CD1 3.84Å; K49-F116 WeakPolarHBondContact O-CA 3.39Å; V57-F116 HydrophobicContact CG1-CE1 4.34Å; V57-F116 HydrophobicContact CG1-CZ 3.93Å; V61-F116 HydrophobicContact CG1-CB 4.19Å; V61-F116 HydrophobicContact CG1-CG 4.35Å; V61-F116 HydrophobicContact CG2-CB 4.49Å; V61-F116 HydrophobicContact CG2-CD1 3.86Å; V61-F116 HydrophobicContact CG2-CD2 3.78Å; V61-F116 HydrophobicContact CG2-CE1 3.87Å; V61-F116 HydrophobicContact CG2-CE2 3.82Å; V61-F116 HydrophobicContact CG2-CG 3.79Å; V61-F116 HydrophobicContact CG2-CZ 3.82Å; V104-F116 PolarHBondContact N-O 3.19Å; V104-F116 WeakPolarHBondContact O-CB 3.27Å; V104-F116 PolarHBondContact O-N 3.05Å; L106-F116 HydrophobicContact CB-CE2 4.04Å; L106-F116 HydrophobicContact CD1-CD2 4.44Å; L106-F116 HydrophobicContact CD1-CE2 3.77Å; L106-F116 HydrophobicContact CD1-CZ 4.27Å; L106-F116 HydrophobicContact CG-CD2 4.27Å; L106-F116 HydrophobicContact CG-CE2 3.93Å; R114-F116 HydrophobicContact CB-CD2 4.47Å; R114-F116 HydrophobicContact CB-CE2 3.73Å; R114-F116 HydrophobicContact CB-CZ 4.39Å; R114-F116 VanDerWaalsContact NH2-CZ 3.34Å; R114-F116 WeakPolarHBondContact O-CD2 3.37Å; R114-F116 WeakPolarHBondContact O-CE2 3.35Å; F116-V118 HydrophobicContact CB-CG2 4.49Å
117	K	93.1	Very high	82.5	Confident	139 Å²	139	68.1 Å²	68.1	60%	0.604	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	122	168.4	-62.2	-160.5	164.9	-166.1	0	108.5	K49 D103	K49-K117 HydrophobicContact CB-CB 4.33Å; K49-K117 PolarHBondContact N-O 3.36Å; K49-K117 PolarHBondContact O-N 3.49Å; K49-K117 VanDerWaalsContact O-N 3.1Å; D103-K117 WeakPolarHBondContact OD1-CG 3.22Å
118	V	94.1	Very high	83	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.8	-178.6	-173.3	0	0	0	0	108.4	V46 D47 I48 V61 M65 L102 V104 F116	V46-V118 HydrophobicContact CG1-CG1 3.51Å; D47-V118 CarbonylContact O-C 3.52Å; D47-V118 WeakPolarHBondContact O-CA 3.34Å; I48-V118 HydrophobicContact CG1-CG1 4.24Å; I48-V118 HydrophobicContact CG1-CG2 4.29Å; I48-V118 HydrophobicContact CG2-CG2 4.47Å; V61-V118 HydrophobicContact CG1-CG2 3.64Å; M65-V118 HydrophobicContact SD-CB 4.14Å; M65-V118 HydrophobicContact SD-CG1 3.64Å; L102-V118 HydrophobicContact CB-CB 4.46Å; L102-V118 PolarHBondContact N-O 3.31Å; L102-V118 PolarHBondContact O-N 3.25Å; V104-V118 HydrophobicContact CB-CG2 4.32Å; V104-V118 HydrophobicContact CG2-CB 4.44Å; V104-V118 HydrophobicContact CG2-CG2 3.83Å; F116-V118 HydrophobicContact CB-CG2 4.49Å
119	S	92.8	Very high	84.2	Confident	39 Å²	39	66 Å²	66	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.7	170.6	71.8	0	0	0	0	109.3	V46 D47 V100 D101	V46-S119 CarbonylContact C-O 3.57Å; V46-S119 WeakPolarHBondContact CA-O 3.11Å; D47-S119 WeakPolarHBondContact CB-OG 3.46Å; D47-S119 PolarHBondContact N-O 2.94Å; D47-S119 PolarHBondContact O-N 3.34Å; V100-S119 CarbonylContact O-C 3.58Å; V100-S119 WeakPolarHBondContact O-CA 3.2Å; D101-S119 WeakPolarHBondContact OD1-CB 3.42Å
120	M	93.8	Very high	85.4	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.8	179.6	-177.7	173.1	56.5	0	0	110.2	Y44 E45 V46 I73 F74 L87 L93 V95 G99 V100	Y44-M120 HydrophobicContact CD1-CG 4.41Å; Y44-M120 HydrophobicContact CG-CG 4.48Å; E45-M120 CarbonylContact O-C 3.59Å; E45-M120 WeakPolarHBondContact O-CA 3.39Å; V46-M120 HydrophobicContact CG2-CG 4.23Å; I73-M120 HydrophobicContact CG2-CE 3.9Å; F74-M120 HydrophobicContact CE1-CE 4.24Å; F74-M120 HydrophobicContact CE1-SD 4.41Å; F74-M120 HydrophobicContact CZ-CE 3.95Å; F74-M120 HydrophobicContact CZ-SD 4.38Å; L87-M120 HydrophobicContact CD2-SD 4.37Å; L93-M120 HydrophobicContact CD1-CE 4.19Å; L93-M120 HydrophobicContact CD1-SD 4.2Å; V95-M120 HydrophobicContact CG2-CE 3.67Å; G99-M120 CarbonylContact C-O 3.58Å; G99-M120 WeakPolarHBondContact CA-O 3.41Å; V100-M120 HydrophobicContact CG1-CB 4.1Å; V100-M120 HydrophobicContact CG1-CE 3.98Å; V100-M120 PolarHBondContact N-O 3.26Å; V100-M120 PolarHBondContact O-N 3.23Å
121	R	92.7	Very high	86.8	Confident	129 Å²	129	63.2 Å²	63.2	49%	0.487	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.2	-178.7	62.6	-177	-177.4	179.7	0.1	112.2	Y44 E45	Y44-R121 CarbonylContact C-O 3.45Å; Y44-R121 WeakPolarHBondContact CA-O 3.44Å; E45-R121 HydrophobicContact CB-CG 3.87Å; E45-R121 PolarHBondContact N-O 2.81Å; E45-R121 PolarHBondContact O-N 3.11Å; E45-R121 IonicContact OE1-NH2 3.73Å; E45-R121 IonicContact OE2-CZ 3.11Å; E45-R121 IonicContact OE2-NE 2.84Å; E45-R121 PolarHBondContact OE2-NE 3.19Å; E45-R121 IonicContact OE2-NH2 2.62Å; E45-R121 PolarHBondContact OE2-NH2 3.01Å
122	F	92.8	Very high	88.1	Confident	60 Å²	60	61.5 Å²	61.5	26%	0.263	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136	170.6	176.1	-105.4	0	0	0	110.3	Y42 Y44 T97 L125	Y42-F122 AromaticContact CD1-CE2 3.88Å; Y42-F122 HydrophobicContact CD1-CE2 3.88Å; Y44-F122 HydrophobicContact CD1-CB 4.06Å; Y44-F122 HydrophobicContact CD1-CD2 4.38Å; Y44-F122 HydrophobicContact CE1-CB 3.94Å; Y44-F122 AromaticContact CE1-CD2 3.93Å; Y44-F122 HydrophobicContact CE1-CD2 3.93Å; Y44-F122 HydrophobicContact CE1-CG 4.43Å; T97-F122 HydrophobicContact CG2-CD1 4.4Å; F122-L125 HydrophobicContact CZ-CG 4.37Å
123	V	90.3	Very high	88.8	Confident	64 Å²	64	56.6 Å²	56.6	39%	0.388	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-58.6	-177.8	-179.9	0	0	0	0	111.3	L43 E45	L43-V123 HydrophobicContact CD2-CB 4.26Å; L43-V123 HydrophobicContact CD2-CG1 4.21Å; L43-V123 HydrophobicContact CG-CB 4.19Å; L43-V123 PolarHBondContact O-N 3.4Å; E45-V123 HydrophobicContact CB-CG2 3.63Å
124	S	90.3	Very high	88.7	Confident	29 Å²	29	52.4 Å²	52.4	20%	0.203	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	167.1	-173.9	59.3	0	0	0	0	111.9	L43	L43-S124 WeakPolarHBondContact CB-O 3.38Å; L43-S124 PolarHBondContact N-O 3.42Å
125	L	90.8	Very high	88.5	Confident	89 Å²	89	48 Å²	48	47%	0.466	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.1	164.6	-70.6	171.3	0	0	0	110	D40 V41 Y42 F122	D40-L125 HydrophobicContact CB-CB 4.49Å; D40-L125 HydrophobicContact CB-CD2 4.28Å; V41-L125 WeakPolarHBondContact O-CA 3.36Å; Y42-L125 HydrophobicContact CD1-CD2 3.52Å; Y42-L125 HydrophobicContact CD2-CD2 4.32Å; Y42-L125 HydrophobicContact CE1-CD2 3.47Å; Y42-L125 VanDerWaalsContact CE1-CD2 3.47Å; Y42-L125 HydrophobicContact CE2-CD2 4.27Å; Y42-L125 HydrophobicContact CG-CD2 3.95Å; F122-L125 HydrophobicContact CZ-CG 4.37Å
126	V	90.6	Very high	87.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.4	174	-180	0	0	0	0	108	V41 L43 Y88 P154 A157	V41-V126 PolarHBondContact N-O 3.32Å; V41-V126 PolarHBondContact O-N 3.38Å; L43-V126 HydrophobicContact CB-CG2 4.06Å; Y88-V126 HydrophobicContact CE1-CG2 4.34Å; V126-P154 HydrophobicContact CG1-CB 4.13Å; V126-P154 HydrophobicContact CG1-CG 4.05Å; V126-A157 HydrophobicContact CG1-CB 4.22Å
127	S	88.9	Confident	86.8	Confident	35 Å²	35	48 Å²	48	25%	0.245	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116	-175.7	-167.3	0	0	0	0	112.7	D40 H129	D40-S127 WeakPolarHBondContact OD1-CA 3.2Å; D40-S127 WeakPolarHBondContact OD1-CB 3.45Å; D40-S127 PolarHBondContact OD1-OG 2.82Å; S127-H129 VanDerWaalsContact C-N 3.29Å; S127-H129 WeakPolarHBondContact OG-CB 3.39Å; S127-H129 PolarHBondContact OG-N 2.98Å
128	W	89.3	Confident	85.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-79.7	-14.6	167.1	-69.1	-24.6	0	0	0	112.7	P37 I39 V41 L131 H132 P154 A157 V158 V161 F393 F395	P37-W128 HydrophobicContact CG-CE3 3.94Å; P37-W128 HydrophobicContact CG-CZ3 3.94Å; P37-W128 WeakPolarHBondContact O-CB 3.39Å; I39-W128 HydrophobicContact CD1-CE3 4.4Å; I39-W128 HydrophobicContact CD1-CZ3 4.25Å; I39-W128 HydrophobicContact CG1-CE3 3.86Å; I39-W128 HydrophobicContact CG1-CZ3 4.22Å; I39-W128 WeakPolarHBondContact O-CB 3.48Å; I39-W128 PolarHBondContact O-N 3.37Å; I39-W128 VanDerWaalsContact O-N 3.08Å; V41-W128 HydrophobicContact CG2-CD2 3.62Å; V41-W128 HydrophobicContact CG2-CE3 3.56Å; V41-W128 HydrophobicContact CG2-CG 4.4Å; V41-W128 HydrophobicContact CG2-CH2 3.65Å; V41-W128 HydrophobicContact CG2-CZ2 3.69Å; V41-W128 HydrophobicContact CG2-CZ3 3.56Å; W128-L131 WeakPolarHBondContact O-CB 3.5Å; W128-L131 PolarHBondContact O-N 3.21Å; W128-H132 PolarHBondContact O-CD2 3.5Å; W128-H132 PolarHBondContact O-N 3.49Å; W128-H132 VanDerWaalsContact O-N 3.16Å; W128-P154 PolarHBondContact NE1-O 3.21Å; W128-A157 HydrophobicContact CZ2-CB 4.37Å; W128-V158 HydrophobicContact CZ2-CG2 4.12Å; W128-V161 HydrophobicContact CH2-CG2 4.42Å; W128-V161 HydrophobicContact CZ2-CG2 4.49Å; W128-F393 HydrophobicContact CH2-CB 4.1Å; W128-F393 AromaticContact CH2-CD1 3.54Å; W128-F393 HydrophobicContact CH2-CD1 3.54Å; W128-F393 HydrophobicContact CH2-CE1 4.41Å; W128-F393 HydrophobicContact CH2-CG 4.22Å; W128-F393 HydrophobicContact CZ2-CD1 4.5Å; W128-F393 HydrophobicContact CZ3-CB 4.39Å; W128-F393 HydrophobicContact CZ3-CD1 4.12Å; W128-F395 AromaticContact CE3-CE1 3.96Å; W128-F395 HydrophobicContact CE3-CE1 3.96Å; W128-F395 HydrophobicContact CE3-CZ 4.49Å; W128-F395 HydrophobicContact CH2-CD1 4.38Å; W128-F395 AromaticContact CH2-CE1 3.2Å; W128-F395 HydrophobicContact CH2-CE1 3.2Å; W128-F395 HydrophobicContact CH2-CE2 4.35Å; W128-F395 AromaticContact CH2-CZ 3.19Å; W128-F395 HydrophobicContact CH2-CZ 3.19Å; W128-F395 AromaticContact CZ2-CE1 3.86Å; W128-F395 HydrophobicContact CZ2-CE1 3.86Å; W128-F395 AromaticContact CZ2-CZ 3.44Å; W128-F395 HydrophobicContact CZ2-CZ 3.44Å; W128-F395 VanDerWaalsContact CZ2-CZ 3.44Å; W128-F395 HydrophobicContact CZ3-CD1 4.31Å; W128-F395 AromaticContact CZ3-CE1 3.29Å; W128-F395 HydrophobicContact CZ3-CE1 3.29Å; W128-F395 AromaticContact CZ3-CZ 3.8Å; W128-F395 HydrophobicContact CZ3-CZ 3.8Å
129	H	87	Confident	83.9	Confident	85 Å²	85	52.9 Å²	52.9	39%	0.394	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-50.6	169.2	-166.5	93.3	0	0	0	110.9	S127 L131 H132 E133	S127-H129 VanDerWaalsContact C-N 3.29Å; S127-H129 WeakPolarHBondContact OG-CB 3.39Å; S127-H129 PolarHBondContact OG-N 2.98Å; H129-L131 VanDerWaalsContact C-N 3.26Å; H129-L131 PolarHBondContact O-N 3.31Å; H129-H132 WeakPolarHBondContact O-CB 3.45Å; H129-H132 PolarHBondContact O-N 3.02Å; H129-H132 VanDerWaalsContact O-N 3.09Å; H129-E133 IonicContact CD2-OE1 3.51Å; H129-E133 IonicContact NE2-OE1 3.42Å; H129-E133 PolarHBondContact NE2-OE1 3.18Å; H129-E133 PolarHBondContact O-N 2.9Å; H129-E133 VanDerWaalsContact O-N 3.17Å
130	L	81.6	Confident	82.2	Confident	78 Å²	78	56 Å²	56	41%	0.408	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-37.2	177.1	-176.5	64.6	0	0	0	112	H132 E133 V134	L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 3.27Å; L130-E133 PolarHBondContact O-N 2.98Å; L130-V134 WeakPolarHBondContact O-CG2 3.1Å; L130-V134 PolarHBondContact O-N 3Å
131	L	83.7	Confident	80.4	Confident	11 Å²	11	57.6 Å²	57.6	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-43.6	175.6	-179.5	58.2	0	0	0	111.5	I36 W128 H129 E133 V134 L135 P154 V155 V158 M209	I36-L131 HydrophobicContact CD1-CD2 3.64Å; I36-L131 HydrophobicContact CD1-CG 4.11Å; W128-L131 WeakPolarHBondContact O-CB 3.5Å; W128-L131 PolarHBondContact O-N 3.21Å; H129-L131 VanDerWaalsContact C-N 3.26Å; H129-L131 PolarHBondContact O-N 3.31Å; L131-E133 PolarHBondContact O-N 3.02Å; L131-V134 PolarHBondContact O-N 2.94Å; L131-L135 HydrophobicContact CD1-CD1 4.33Å; L131-L135 HydrophobicContact CD1-CG 4.28Å; L131-L135 HydrophobicContact CG-CD1 4.08Å; L131-L135 HydrophobicContact CG-CG 4.5Å; L131-L135 WeakPolarHBondContact O-CG 3.38Å; L131-L135 PolarHBondContact O-N 3.22Å; L131-P154 HydrophobicContact CB-CB 3.84Å; L131-P154 HydrophobicContact CD1-CB 4.37Å; L131-P154 HydrophobicContact CD2-CB 3.93Å; L131-P154 HydrophobicContact CG-CB 4.27Å; L131-V155 HydrophobicContact CD1-CG2 3.78Å; L131-V158 HydrophobicContact CD2-CG2 4.17Å; L131-M209 HydrophobicContact CD1-SD 4.14Å; L131-M209 HydrophobicContact CD2-CG 4.28Å; L131-M209 HydrophobicContact CD2-SD 4.01Å; L131-M209 HydrophobicContact CG-SD 4.3Å
132	H	83.7	Confident	78.6	Confident	40 Å²	40	57.7 Å²	57.7	19%	0.185	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-40.6	175	-86.6	-78.7	0	0	0	112.9	I36 W128 H129 L130 V134 L135 T136	I36-H132 WeakPolarHBondContact CG1-NE2 3.5Å; I36-H132 PolarHBondContact O-NE2 3.46Å; W128-H132 PolarHBondContact O-CD2 3.5Å; W128-H132 PolarHBondContact O-N 3.49Å; W128-H132 VanDerWaalsContact O-N 3.16Å; H129-H132 WeakPolarHBondContact O-CB 3.45Å; H129-H132 PolarHBondContact O-N 3.02Å; H129-H132 VanDerWaalsContact O-N 3.09Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 3.27Å; H132-V134 VanDerWaalsContact C-N 3.34Å; H132-L135 PolarHBondContact O-N 3.44Å; H132-T136 WeakPolarHBondContact O-CB 3.44Å; H132-T136 WeakPolarHBondContact O-CG2 3.1Å; H132-T136 PolarHBondContact O-N 3.45Å; H132-T136 PolarHBondContact O-OG1 3.17Å
133	E	81.4	Confident	76.5	Confident	67 Å²	67	59.9 Å²	59.9	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-40.5	177.8	-64.8	-176.6	160.6	0	0	112.1	H129 L130 L131 T136 G137 R138 S139	H129-E133 IonicContact CD2-OE1 3.51Å; H129-E133 IonicContact NE2-OE1 3.42Å; H129-E133 PolarHBondContact NE2-OE1 3.18Å; H129-E133 PolarHBondContact O-N 2.9Å; H129-E133 VanDerWaalsContact O-N 3.17Å; L130-E133 PolarHBondContact O-N 2.98Å; L131-E133 PolarHBondContact O-N 3.02Å; E133-T136 PolarHBondContact O-N 3.1Å; E133-T136 PolarHBondContact O-OG1 3.29Å; E133-G137 PolarHBondContact O-N 2.95Å; E133-G137 VanDerWaalsContact O-N 3.11Å; E133-R138 PolarHBondContact O-N 3.42Å; E133-S139 WeakPolarHBondContact CB-OG 3.35Å; E133-S139 PolarHBondContact O-N 2.93Å
134	V	78.8	Confident	74.3	Confident	27 Å²	27	60.9 Å²	60.9	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-42.7	176.1	173.3	0	0	0	0	111.2	L130 L131 H132 T136 G137 S139 P141 Y740	L130-V134 WeakPolarHBondContact O-CG2 3.1Å; L130-V134 PolarHBondContact O-N 3Å; L131-V134 PolarHBondContact O-N 2.94Å; H132-V134 VanDerWaalsContact C-N 3.34Å; V134-T136 VanDerWaalsContact C-N 3.28Å; V134-T136 PolarHBondContact O-N 2.89Å; V134-G137 PolarHBondContact O-N 3.47Å; V134-S139 PolarHBondContact N-OG 3.01Å; V134-P141 HydrophobicContact CG1-CG 4.2Å; V134-Y740 HydrophobicContact CG1-CE1 3.9Å
135	L	81	Confident	72.3	Confident	6 Å²	6	63.3 Å²	63.3	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-31.1	178.3	-69.4	170.3	0	0	0	113	L131 H132 P204 W207 M209 P739	L131-L135 HydrophobicContact CD1-CD1 4.33Å; L131-L135 HydrophobicContact CD1-CG 4.28Å; L131-L135 HydrophobicContact CG-CD1 4.08Å; L131-L135 HydrophobicContact CG-CG 4.5Å; L131-L135 WeakPolarHBondContact O-CG 3.38Å; L131-L135 PolarHBondContact O-N 3.22Å; H132-L135 PolarHBondContact O-N 3.44Å; L135-P204 HydrophobicContact CD2-CB 3.62Å; L135-W207 PolarHBondContact O-N 3.01Å; L135-M209 HydrophobicContact CD1-CG 3.83Å; L135-M209 HydrophobicContact CD1-SD 3.72Å; L135-M209 HydrophobicContact CD2-SD 3.96Å; L135-M209 HydrophobicContact CG-SD 4.37Å; L135-P739 HydrophobicContact CD2-CG 3.92Å
136	T	77.6	Confident	70.1	Confident	45 Å²	45	65.5 Å²	65.5	28%	0.276	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.1	178.5	55.9	0	0	0	0	113.4	H132 E133 V134 R138 W207	H132-T136 WeakPolarHBondContact O-CB 3.44Å; H132-T136 WeakPolarHBondContact O-CG2 3.1Å; H132-T136 PolarHBondContact O-N 3.45Å; H132-T136 PolarHBondContact O-OG1 3.17Å; E133-T136 PolarHBondContact O-N 3.1Å; E133-T136 PolarHBondContact O-OG1 3.29Å; V134-T136 VanDerWaalsContact C-N 3.28Å; V134-T136 PolarHBondContact O-N 2.89Å; T136-R138 PolarHBondContact O-N 3.23Å; T136-W207 HydrophobicContact CG2-CE3 4.39Å
137	G	68.1	Low	68.1	Low	61 Å²	61	72.2 Å²	72.2	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	15.5	178.8	0	0	0	0	0	114.6	E133 V134	E133-G137 PolarHBondContact O-N 2.95Å; E133-G137 VanDerWaalsContact O-N 3.11Å; V134-G137 PolarHBondContact O-N 3.47Å
138	R	65.4	Low	66.7	Low	215 Å²	215	75.3 Å²	75.3	81%	0.811	40%	0.4	S	S	*	.	S	Bend	trans	-82.1	-24.3	-179.5	-67.9	-177.2	179.5	-169.2	-0.7	113	E133 T136	E133-R138 PolarHBondContact O-N 3.42Å; T136-R138 PolarHBondContact O-N 3.23Å
139	S	61.4	Low	65.3	Low	28 Å²	28	78.9 Å²	78.9	20%	0.196	42%	0.423	C	S	.	.	S	Bend	trans	-122.4	147	172.9	61.1	0	0	0	0	110.9	E133 V134	E133-S139 WeakPolarHBondContact CB-OG 3.35Å; E133-S139 PolarHBondContact O-N 2.93Å; V134-S139 PolarHBondContact N-OG 3.01Å
140	V	57.2	Low	64.3	Low	104 Å²	104	80.7 Å²	80.7	63%	0.63	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-76.1	132.5	169.9	-171.3	0	0	0	0	106.6	E142	V140-E142 PolarHBondContact O-N 3.06Å
141	P	56.6	Low	63.4	Low	35 Å²	35	78.1 Å²	78.1	23%	0.227	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-54.1	129.6	169.4	-11.4	19.6	0	0	0	108.1	V134 Y740	V134-P141 HydrophobicContact CG1-CG 4.2Å; P141-Y740 HydrophobicContact CG-CD1 4.21Å; P141-Y740 HydrophobicContact CG-CE1 3.36Å; P141-Y740 HydrophobicContact CG-CE2 3.9Å; P141-Y740 VanDerWaalsContact CG-OH 3.28Å; P141-Y740 WeakPolarHBondContact CG-OH 3.29Å
142	E	54	Low	62.8	Low	131 Å²	131	79.6 Å²	79.6	61%	0.612	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-49.8	138.4	167.8	-78.9	-169.6	160.7	0	0	108.3	V140 L144 K148	V140-E142 PolarHBondContact O-N 3.06Å; E142-L144 PolarHBondContact O-N 3.12Å; E142-K148 IonicContact OE2-NZ 3.29Å; E142-K148 PolarHBondContact OE2-NZ 3.46Å
143	P	49.5	Very low	62.7	Low	106 Å²	106	80.1 Å²	80.1	69%	0.688	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-47.1	123	167.5	-21.7	30.5	0	0	0	107.1	D145	P143-D145 VanDerWaalsContact C-N 3.32Å; P143-D145 PolarHBondContact O-N 3.33Å
144	L	44.4	Very low	62.9	Low	84 Å²	84	78.1 Å²	78.1	44%	0.44	43%	0.43	S	S	.	.			trans	-67.3	102.4	-175.3	-148.9	131	0	0	0	106.8	E142 L146 R673	E142-L144 PolarHBondContact O-N 3.12Å; L144-L146 PolarHBondContact O-N 3.43Å; L144-L146 VanDerWaalsContact O-N 3.11Å; L144-R673 VanDerWaalsContact CB-CZ 3.45Å; L144-R673 VanDerWaalsContact CD2-NH1 3.32Å
145	D	47.3	Very low	63.3	Low	81 Å²	81	78.3 Å²	78.3	43%	0.433	43%	0.432	S	S	.	.			trans	-61.9	113.8	174.4	-163.7	-8.8	0	0	0	106.7	P143 D147 K148	P143-D145 VanDerWaalsContact C-N 3.32Å; P143-D145 PolarHBondContact O-N 3.33Å; D145-D147 PolarHBondContact O-N 3.23Å; D145-D147 VanDerWaalsContact O-N 3.08Å; D145-D147 PolarHBondContact OD1-N 3.5Å; D145-K148 HydrophobicContact CB-CB 4.21Å; D145-K148 HydrophobicContact CB-CD 4.09Å; D145-K148 HydrophobicContact CB-CG 3.9Å; D145-K148 PolarHBondContact O-N 3.16Å
146	L	45.7	Very low	63.6	Low	134 Å²	134	79.9 Å²	79.9	70%	0.702	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.1	-178.5	-75.6	165.2	0	0	0	111.2	L144	L144-L146 PolarHBondContact O-N 3.43Å; L144-L146 VanDerWaalsContact O-N 3.11Å
147	D	48.2	Very low	64.3	Low	143 Å²	143	77.8 Å²	77.8	77%	0.765	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-14.3	177	-63.7	-24.9	0	0	0	113	D145	D145-D147 PolarHBondContact O-N 3.23Å; D145-D147 VanDerWaalsContact O-N 3.08Å; D145-D147 PolarHBondContact OD1-N 3.5Å
148	K	59.3	Low	65.4	Low	100 Å²	100	74.9 Å²	74.9	44%	0.435	40%	0.396	S	S	.	.	S	Bend	trans	-74.2	125.5	174.5	-82.8	-177.8	-173.6	-175.5	0	110.6	E142 D145	E142-K148 IonicContact OE2-NZ 3.29Å; E142-K148 PolarHBondContact OE2-NZ 3.46Å; D145-K148 HydrophobicContact CB-CB 4.21Å; D145-K148 HydrophobicContact CB-CD 4.09Å; D145-K148 HydrophobicContact CB-CG 3.9Å; D145-K148 PolarHBondContact O-N 3.16Å
149	P	59.8	Low	66.7	Low	76 Å²	76	66 Å²	66	49%	0.494	36%	0.364	S	S	.	.			trans	-59.7	140.8	178.9	-22.5	32.2	0	0	0	112.6	S151 T152	P149-S151 WeakPolarHBondContact CB-OG 3.32Å; P149-S151 PolarHBondContact O-N 3.45Å; P149-T152 PolarHBondContact O-N 3.06Å; P149-T152 PolarHBondContact O-OG1 3.2Å
150	L	64.8	Low	68.2	Low	122 Å²	122	65 Å²	65	64%	0.639	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-55.6	-26.7	176.4	-174.6	67.3	0	0	0	113.1	T152 N153 H156	L150-T152 PolarHBondContact O-N 2.72Å; L150-N153 HydrophobicContact CD1-CB 4.44Å; L150-N153 WeakPolarHBondContact O-CB 3.5Å; L150-N153 PolarHBondContact O-N 3.16Å; L150-N153 VanDerWaalsContact O-N 3.1Å; L150-H156 WeakPolarHBondContact O-CB 3.49Å
151	S	62.7	Low	69.9	Low	25 Å²	25	60 Å²	60	18%	0.175	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-64	-23.7	177.4	49.7	0	0	0	0	113.8	S86 Y88 P149 N153	S86-S151 WeakPolarHBondContact OG-CB 3.22Å; Y88-S151 WeakPolarHBondContact OH-CA 3.27Å; Y88-S151 PolarHBondContact OH-O 3.47Å; P149-S151 WeakPolarHBondContact CB-OG 3.32Å; P149-S151 PolarHBondContact O-N 3.45Å; S151-N153 VanDerWaalsContact C-N 3.27Å
152	T	73	Confident	71.7	Confident	41 Å²	41	58.3 Å²	58.3	25%	0.252	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-83.9	-4.1	175.6	67.2	0	0	0	0	112.4	L43 P149 L150 P154	L43-T152 HydrophobicContact CD2-CG2 4.06Å; P149-T152 PolarHBondContact O-N 3.06Å; P149-T152 PolarHBondContact O-OG1 3.2Å; L150-T152 PolarHBondContact O-N 2.72Å; T152-P154 WeakPolarHBondContact O-CD 3.42Å
153	N	81.4	Confident	73.5	Confident	52 Å²	52	53.2 Å²	53.2	28%	0.278	29%	0.291	S	S	.	.			trans	-73.8	122.8	177.1	-172.7	-40.9	0	0	0	110.3	L150 S151 V155 H156 A157	L150-N153 HydrophobicContact CD1-CB 4.44Å; L150-N153 WeakPolarHBondContact O-CB 3.5Å; L150-N153 PolarHBondContact O-N 3.16Å; L150-N153 VanDerWaalsContact O-N 3.1Å; S151-N153 VanDerWaalsContact C-N 3.27Å; N153-V155 PolarHBondContact O-N 3.44Å; N153-V155 VanDerWaalsContact O-N 3.17Å; N153-V155 WeakPolarHBondContact OD1-CB 3.48Å; N153-V155 PolarHBondContact OD1-N 3.28Å; N153-H156 HydrophobicContact CB-CB 4.16Å; N153-H156 WeakPolarHBondContact O-CB 3.46Å; N153-H156 PolarHBondContact O-N 3.36Å; N153-A157 PolarHBondContact O-N 2.75Å
154	P	84.1	Confident	75.6	Confident	25 Å²	25	48.8 Å²	48.8	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-52.6	-38	177.9	-29.7	37.2	0	0	0	114.6	V126 W128 L131 T152 H156 A157 V158	V126-P154 HydrophobicContact CG1-CB 4.13Å; V126-P154 HydrophobicContact CG1-CG 4.05Å; W128-P154 PolarHBondContact NE1-O 3.21Å; L131-P154 HydrophobicContact CB-CB 3.84Å; L131-P154 HydrophobicContact CD1-CB 4.37Å; L131-P154 HydrophobicContact CD2-CB 3.93Å; L131-P154 HydrophobicContact CG-CB 4.27Å; T152-P154 WeakPolarHBondContact O-CD 3.42Å; P154-H156 VanDerWaalsContact C-N 3.31Å; P154-H156 PolarHBondContact O-N 2.83Å; P154-A157 PolarHBondContact O-N 3.15Å; P154-V158 WeakPolarHBondContact O-CG2 3.42Å; P154-V158 PolarHBondContact O-N 3.01Å
155	V	86.9	Confident	77.8	Confident	31 Å²	31	47.5 Å²	47.5	19%	0.188	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-34.7	178.4	179	0	0	0	0	111.5	L131 N153 V158 D159 M209	L131-V155 HydrophobicContact CD1-CG2 3.78Å; N153-V155 PolarHBondContact O-N 3.44Å; N153-V155 VanDerWaalsContact O-N 3.17Å; N153-V155 WeakPolarHBondContact OD1-CB 3.48Å; N153-V155 PolarHBondContact OD1-N 3.28Å; V155-V158 PolarHBondContact O-N 3.09Å; V155-D159 PolarHBondContact O-N 3.19Å; V155-M209 HydrophobicContact CB-CE 4.5Å; V155-M209 HydrophobicContact CG1-CE 3.97Å; V155-M209 HydrophobicContact CG2-CE 4.11Å
156	H	88.4	Confident	79.9	Confident	39 Å²	39	44.1 Å²	44.1	18%	0.181	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-41.4	176.7	179.6	-97.2	0	0	0	111.2	Y88 L150 N153 P154 V158 D159 V160	Y88-H156 AromaticContact CZ-ND1 3.96Å; Y88-H156 PolarHBondContact OH-CE1 3.26Å; Y88-H156 PolarHBondContact OH-ND1 3.35Å; L150-H156 WeakPolarHBondContact O-CB 3.49Å; N153-H156 HydrophobicContact CB-CB 4.16Å; N153-H156 WeakPolarHBondContact O-CB 3.46Å; N153-H156 PolarHBondContact O-N 3.36Å; P154-H156 VanDerWaalsContact C-N 3.31Å; P154-H156 PolarHBondContact O-N 2.83Å; H156-V158 PolarHBondContact O-N 3.49Å; H156-D159 PolarHBondContact O-N 3.05Å; H156-V160 WeakPolarHBondContact O-CG2 3.49Å; H156-V160 PolarHBondContact O-N 3.31Å
157	A	91.4	Very high	82	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-45.6	174.6	0	0	0	0	0	111.6	Y88 V126 W128 N153 P154 D159 V160 V161	Y88-A157 HydrophobicContact CD1-CB 3.89Å; Y88-A157 HydrophobicContact CE1-CB 3.7Å; Y88-A157 HydrophobicContact CG-CB 4.5Å; V126-A157 HydrophobicContact CG1-CB 4.22Å; W128-A157 HydrophobicContact CZ2-CB 4.37Å; N153-A157 PolarHBondContact O-N 2.75Å; P154-A157 PolarHBondContact O-N 3.15Å; A157-D159 VanDerWaalsContact C-N 3.35Å; A157-D159 PolarHBondContact O-N 3.36Å; A157-V160 PolarHBondContact O-N 3.14Å; A157-V161 WeakPolarHBondContact O-CG2 3.44Å; A157-V161 PolarHBondContact O-N 2.84Å
158	V	91.9	Very high	83.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-43	175.7	-178	0	0	0	0	111.5	I36 W128 L131 P154 V155 H156 V160 V161 L162 V202 F395	I36-V158 HydrophobicContact CG2-CG1 4.32Å; I36-V158 HydrophobicContact CG2-CG2 4.29Å; W128-V158 HydrophobicContact CZ2-CG2 4.12Å; L131-V158 HydrophobicContact CD2-CG2 4.17Å; P154-V158 WeakPolarHBondContact O-CG2 3.42Å; P154-V158 PolarHBondContact O-N 3.01Å; V155-V158 PolarHBondContact O-N 3.09Å; H156-V158 PolarHBondContact O-N 3.49Å; V158-V160 PolarHBondContact O-N 3.4Å; V158-V161 PolarHBondContact O-N 3Å; V158-L162 HydrophobicContact CG1-CD1 4.19Å; V158-L162 PolarHBondContact O-N 2.94Å; V158-V202 HydrophobicContact CB-CG1 4.39Å; V158-V202 HydrophobicContact CG1-CG1 3.72Å; V158-V202 HydrophobicContact CG1-CG2 4.28Å; V158-F395 HydrophobicContact CB-CE2 4.33Å; V158-F395 HydrophobicContact CB-CZ 4.25Å; V158-F395 HydrophobicContact CG1-CE2 3.71Å; V158-F395 HydrophobicContact CG1-CZ 3.94Å; V158-F395 HydrophobicContact CG2-CZ 4Å
159	D	91.9	Very high	85.2	Confident	28 Å²	28	37 Å²	37	15%	0.15	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-38.1	177.4	-173.2	72.4	0	0	0	112.1	V155 H156 A157 R163 V202	V155-D159 PolarHBondContact O-N 3.19Å; H156-D159 PolarHBondContact O-N 3.05Å; A157-D159 VanDerWaalsContact C-N 3.35Å; A157-D159 PolarHBondContact O-N 3.36Å; D159-R163 VanDerWaalsContact O-CB 3.23Å; D159-R163 WeakPolarHBondContact O-CB 3.33Å; D159-R163 VanDerWaalsContact O-CD 3.27Å; D159-R163 WeakPolarHBondContact O-CD 3.34Å; D159-R163 WeakPolarHBondContact O-CG 3.22Å; D159-R163 PolarHBondContact O-N 3.23Å; D159-R163 IonicContact OD1-CZ 2.76Å; D159-R163 IonicContact OD1-NE 3.56Å; D159-R163 PolarHBondContact OD1-NE 3.03Å; D159-R163 IonicContact OD1-NH2 3.73Å; D159-R163 PolarHBondContact OD1-NH2 2.87Å; D159-R163 VanDerWaalsContact OD2-CD 3.26Å; D159-R163 WeakPolarHBondContact OD2-CD 3.49Å; D159-R163 IonicContact OD2-CZ 3.93Å; D159-R163 IonicContact OD2-NE 3.03Å; D159-R163 PolarHBondContact OD2-NE 2.85Å; D159-R163 IonicContact OD2-NH2 3.82Å; D159-V202 HydrophobicContact CB-CB 4.3Å; D159-V202 HydrophobicContact CB-CG2 4.08Å
160	V	93.3	Very high	86.7	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-43.2	177.5	173.4	0	0	0	0	111.6	V80 D82 Y88 H156 A157 V158 R163 H164	V80-V160 HydrophobicContact CB-CG1 4.28Å; V80-V160 HydrophobicContact CG2-CG1 4.04Å; D82-V160 HydrophobicContact CB-CG1 4.34Å; D82-V160 HydrophobicContact CB-CG2 3.87Å; Y88-V160 HydrophobicContact CD2-CB 4.24Å; Y88-V160 HydrophobicContact CD2-CG1 3.93Å; Y88-V160 HydrophobicContact CE2-CB 4.06Å; Y88-V160 HydrophobicContact CE2-CG1 4.03Å; Y88-V160 HydrophobicContact CE2-CG2 4.03Å; H156-V160 WeakPolarHBondContact O-CG2 3.49Å; H156-V160 PolarHBondContact O-N 3.31Å; A157-V160 PolarHBondContact O-N 3.14Å; V158-V160 PolarHBondContact O-N 3.4Å; V160-R163 PolarHBondContact O-N 3.21Å; V160-H164 PolarHBondContact O-N 3.3Å; V160-H164 VanDerWaalsContact O-N 3.12Å
161	V	94.3	Very high	87.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.9	-58.5	176.5	172.7	0	0	0	0	110.2	V80 W128 A157 V158 R163 H164 F393 F395	V80-V161 HydrophobicContact CG2-CB 4.46Å; V80-V161 HydrophobicContact CG2-CG2 3.73Å; W128-V161 HydrophobicContact CH2-CG2 4.42Å; W128-V161 HydrophobicContact CZ2-CG2 4.49Å; A157-V161 WeakPolarHBondContact O-CG2 3.44Å; A157-V161 PolarHBondContact O-N 2.84Å; V158-V161 PolarHBondContact O-N 3Å; V161-R163 PolarHBondContact O-N 3.12Å; V161-R163 VanDerWaalsContact O-N 3.08Å; V161-H164 PolarHBondContact O-N 3.36Å; V161-H164 VanDerWaalsContact O-N 3.16Å; V161-F393 HydrophobicContact CG1-CB 4.11Å; V161-F393 HydrophobicContact CG1-CD2 4.16Å; V161-F393 HydrophobicContact CG1-CG 4.19Å; V161-F393 HydrophobicContact CG2-CB 4.44Å; V161-F393 HydrophobicContact CG2-CD1 3.95Å; V161-F393 HydrophobicContact CG2-CD2 4.09Å; V161-F393 HydrophobicContact CG2-CE1 4.12Å; V161-F393 HydrophobicContact CG2-CE2 4.29Å; V161-F393 HydrophobicContact CG2-CG 3.89Å; V161-F393 HydrophobicContact CG2-CZ 4.28Å; V161-F395 HydrophobicContact CB-CD2 4.42Å; V161-F395 HydrophobicContact CB-CE2 3.8Å; V161-F395 HydrophobicContact CB-CZ 4.48Å; V161-F395 HydrophobicContact CG1-CD2 3.79Å; V161-F395 HydrophobicContact CG1-CE2 3.65Å; V161-F395 HydrophobicContact CG1-CZ 4.44Å; V161-F395 HydrophobicContact CG2-CE2 4.26Å; V161-F395 HydrophobicContact CG2-CZ 4.46Å
162	L	92.7	Very high	89.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-18.2	-174.7	-69.7	172	0	0	0	113.4	V34 V158 Q200 V202 L211 Y384 V390 F395 V397	V34-L162 HydrophobicContact CG1-CD1 4.37Å; V34-L162 HydrophobicContact CG2-CD1 4.27Å; V158-L162 HydrophobicContact CG1-CD1 4.19Å; V158-L162 PolarHBondContact O-N 2.94Å; L162-Q200 PolarHBondContact O-NE2 3.17Å; L162-V202 HydrophobicContact CD1-CG2 3.65Å; L162-L211 HydrophobicContact CD1-CD1 4.05Å; L162-Y384 HydrophobicContact CD2-CD1 4.45Å; L162-V390 HydrophobicContact CD2-CG1 4.49Å; L162-V390 HydrophobicContact CD2-CG2 3.97Å; L162-F395 HydrophobicContact CD2-CD2 4.03Å; L162-F395 HydrophobicContact CG-CD2 4.08Å; L162-F395 HydrophobicContact CG-CE2 4.27Å; L162-V397 HydrophobicContact CD2-CG2 4.04Å
163	R	92.9	Very high	90	Very high	24 Å²	24	33.2 Å²	33.2	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-97.1	-10.6	-179.8	-74.6	175.4	178.1	-112.7	6.5	114.2	D159 V160 V161 S167 R175 F177 Q200	D159-R163 VanDerWaalsContact O-CB 3.23Å; D159-R163 WeakPolarHBondContact O-CB 3.33Å; D159-R163 VanDerWaalsContact O-CD 3.27Å; D159-R163 WeakPolarHBondContact O-CD 3.34Å; D159-R163 WeakPolarHBondContact O-CG 3.22Å; D159-R163 PolarHBondContact O-N 3.23Å; D159-R163 IonicContact OD1-CZ 2.76Å; D159-R163 IonicContact OD1-NE 3.56Å; D159-R163 PolarHBondContact OD1-NE 3.03Å; D159-R163 IonicContact OD1-NH2 3.73Å; D159-R163 PolarHBondContact OD1-NH2 2.87Å; D159-R163 VanDerWaalsContact OD2-CD 3.26Å; D159-R163 WeakPolarHBondContact OD2-CD 3.49Å; D159-R163 IonicContact OD2-CZ 3.93Å; D159-R163 IonicContact OD2-NE 3.03Å; D159-R163 PolarHBondContact OD2-NE 2.85Å; D159-R163 IonicContact OD2-NH2 3.82Å; V160-R163 PolarHBondContact O-N 3.21Å; V161-R163 PolarHBondContact O-N 3.12Å; V161-R163 VanDerWaalsContact O-N 3.08Å; R163-S167 VanDerWaalsContact O-CB 3.23Å; R163-S167 WeakPolarHBondContact O-CB 3.1Å; R163-S167 PolarHBondContact O-N 2.97Å; R163-S167 PolarHBondContact O-OG 3.37Å; R163-R175 VanDerWaalsContact NH2-CG 3.28Å; R163-F177 HydrophobicContact CB-CZ 4.15Å; R163-F177 HydrophobicContact CG-CE2 4.31Å; R163-F177 HydrophobicContact CG-CZ 4.02Å; R163-Q200 PolarHBondContact NH2-O 2.66Å
164	H	92.9	Very high	90.3	Very high	13 Å²	13	34.2 Å²	34.2	6%	0.06	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-58.9	-168.2	-173	72.7	0	0	0	111.5	V80 Y81 V160 V161 S167 M168 F389	V80-H164 HydrophobicContact CB-CB 3.99Å; V80-H164 HydrophobicContact CG1-CB 3.8Å; Y81-H164 PolarHBondContact N-CE1 3.31Å; Y81-H164 PolarHBondContact N-ND1 2.84Å; Y81-H164 PolarHBondContact O-ND1 3.27Å; V160-H164 PolarHBondContact O-N 3.3Å; V160-H164 VanDerWaalsContact O-N 3.12Å; V161-H164 PolarHBondContact O-N 3.36Å; V161-H164 VanDerWaalsContact O-N 3.16Å; H164-S167 WeakPolarHBondContact O-CB 3.27Å; H164-S167 PolarHBondContact O-N 3.34Å; H164-M168 WeakPolarHBondContact NE2-CE 3.46Å; H164-M168 PolarHBondContact O-N 3.04Å; H164-F389 AromaticContact CD2-CD1 3.55Å; H164-F389 AromaticContact CD2-CD2 3.81Å; H164-F389 AromaticContact CD2-CE1 3.39Å; H164-F389 WeakPolarHBondContact CD2-CE1 3.36Å; H164-F389 AromaticContact CD2-CE2 3.68Å; H164-F389 AromaticContact CD2-CG 3.75Å; H164-F389 AromaticContact CD2-CZ 3.46Å; H164-F389 VanDerWaalsContact CD2-CZ 3.46Å; H164-F389 WeakPolarHBondContact CD2-CZ 3.42Å; H164-F389 AromaticContact NE2-CE1 3.56Å; H164-F389 AromaticContact NE2-CZ 3.63Å
165	L	90.8	Very high	90.5	Very high	56 Å²	56	39.2 Å²	39.2	29%	0.293	21%	0.208	S	C	.	.	H	α-helix	trans	-63.4	-47.1	179.5	-179.2	66.1	0	0	0	113.1	S167 M168 K169 D387 F389	L165-S167 PolarHBondContact O-N 3Å; L165-M168 HydrophobicContact CD1-CE 4.19Å; L165-M168 PolarHBondContact O-N 3.22Å; L165-K169 PolarHBondContact O-N 2.81Å; L165-D387 WeakPolarHBondContact CB-OD2 3.24Å; L165-D387 HydrophobicContact CD2-CB 4.2Å; L165-D387 VanDerWaalsContact CD2-CG 3.49Å; L165-D387 WeakPolarHBondContact CD2-OD2 3.35Å; L165-F389 HydrophobicContact CB-CD2 4.11Å; L165-F389 HydrophobicContact CB-CE2 4.46Å; L165-F389 HydrophobicContact CD1-CE2 4.35Å
166	P	90.7	Very high	90.9	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.065	20%	0.203	C	C	.	.	H	α-helix	trans	-56.5	-33.7	174.6	-28.4	34.9	0	0	0	114.2	M168 Y170 F177 F198	P166-M168 VanDerWaalsContact C-N 3.25Å; P166-M168 PolarHBondContact O-N 2.73Å; P166-Y170 HydrophobicContact CB-CD2 4.13Å; P166-Y170 WeakPolarHBondContact O-CB 3.35Å; P166-Y170 PolarHBondContact O-N 3.11Å; P166-F177 HydrophobicContact CB-CD1 3.97Å; P166-F177 HydrophobicContact CB-CD2 3.91Å; P166-F177 HydrophobicContact CB-CE1 3.87Å; P166-F177 HydrophobicContact CB-CE2 3.79Å; P166-F177 HydrophobicContact CB-CG 3.99Å; P166-F177 HydrophobicContact CB-CZ 3.77Å; P166-F177 WeakPolarHBondContact O-CD1 3.23Å; P166-F198 HydrophobicContact CB-CZ 4.35Å
167	S	90.2	Very high	91.1	Very high	13 Å²	13	36.5 Å²	36.5	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-71.2	-19.7	178.6	-60.5	0	0	0	0	113.9	R163 H164 L165 F177	R163-S167 VanDerWaalsContact O-CB 3.23Å; R163-S167 WeakPolarHBondContact O-CB 3.1Å; R163-S167 PolarHBondContact O-N 2.97Å; R163-S167 PolarHBondContact O-OG 3.37Å; H164-S167 WeakPolarHBondContact O-CB 3.27Å; H164-S167 PolarHBondContact O-N 3.34Å; L165-S167 PolarHBondContact O-N 3Å; S167-F177 WeakPolarHBondContact OG-CE1 3.23Å
168	M	86.8	Confident	91.2	Very high	66 Å²	66	36.8 Å²	36.8	33%	0.325	20%	0.196	S	C	.	.	H	α-helix	trans	-92	-39.6	174.9	-60.8	-169	-65.2	0	0	111.4	H164 L165 P166 F389	H164-M168 WeakPolarHBondContact NE2-CE 3.46Å; H164-M168 PolarHBondContact O-N 3.04Å; L165-M168 HydrophobicContact CD1-CE 4.19Å; L165-M168 PolarHBondContact O-N 3.22Å; P166-M168 VanDerWaalsContact C-N 3.25Å; P166-M168 PolarHBondContact O-N 2.73Å; M168-F389 HydrophobicContact CE-CE2 3.82Å; M168-F389 HydrophobicContact CE-CZ 3.91Å
169	K	88.1	Confident	91	Very high	148 Å²	148	38.9 Å²	38.9	64%	0.643	21%	0.211	S	C	*	.	H	α-helix	trans	-76.6	-38.5	-177.1	-170.9	174.1	-178	179.2	0	113.7	L165	L165-K169 PolarHBondContact O-N 2.81Å
170	Y	91.1	Very high	90.7	Very high	68 Å²	68	40.4 Å²	40.4	27%	0.267	22%	0.224	S	C	.	.	S	Bend	trans	-112.8	174.3	-173.4	-57.7	-65.8	0	0	0	112.2	P166 P172 F177 F198	P166-Y170 HydrophobicContact CB-CD2 4.13Å; P166-Y170 WeakPolarHBondContact O-CB 3.35Å; P166-Y170 PolarHBondContact O-N 3.11Å; Y170-P172 WeakPolarHBondContact O-CD 3.26Å; Y170-F177 HydrophobicContact CD2-CB 4.12Å; Y170-F177 HydrophobicContact CG-CB 4.19Å; Y170-F198 HydrophobicContact CD2-CE1 4.03Å; Y170-F198 HydrophobicContact CD2-CZ 4.18Å; Y170-F198 AromaticContact CE2-CE1 3.84Å; Y170-F198 HydrophobicContact CE2-CE1 3.84Å; Y170-F198 HydrophobicContact CE2-CZ 4.07Å
171	T	90.6	Very high	90	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.202	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	107.6	171.5	-60.4	0	0	0	0	110	F178 F220	T171-F178 WeakPolarHBondContact CB-O 3.18Å; T171-F178 PolarHBondContact N-O 3.05Å; T171-F178 PolarHBondContact O-N 2.77Å; T171-F220 HydrophobicContact CG2-CE1 4.16Å; T171-F220 HydrophobicContact CG2-CZ 4.35Å
172	P	91.3	Very high	89.1	Confident	62 Å²	62	49.1 Å²	49.1	40%	0.403	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.5	-179.7	29.9	-35.2	0	0	0	111.4	Y170 F177	Y170-P172 WeakPolarHBondContact O-CD 3.26Å; P172-F177 HydrophobicContact CB-CD1 4.13Å; P172-F177 HydrophobicContact CB-CE1 4.01Å
173	V	89.1	Confident	88.2	Confident	22 Å²	22	53.6 Å²	53.6	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	97.8	175.6	175.6	0	0	0	0	108.4	R175 S176 F178 F220 R347	V173-R175 PolarHBondContact O-N 3.18Å; V173-R175 VanDerWaalsContact O-N 3.14Å; V173-S176 PolarHBondContact N-O 3.36Å; V173-S176 PolarHBondContact O-N 3.43Å; V173-F178 HydrophobicContact CB-CD2 3.78Å; V173-F178 HydrophobicContact CB-CE2 3.7Å; V173-F178 HydrophobicContact CG1-CE2 4.17Å; V173-F178 HydrophobicContact CG2-CD2 3.73Å; V173-F178 HydrophobicContact CG2-CE2 4.1Å; V173-F220 HydrophobicContact CG2-CZ 4.08Å; V173-R347 VanDerWaalsContact CG1-CD 3.42Å
174	G	87.8	Confident	87.3	Confident	73 Å²	73	56.5 Å²	56.5	75%	0.753	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-114.6	-175.7	0	0	0	0	0	110.9
175	R	88.5	Confident	86.4	Confident	130 Å²	130	60.7 Å²	60.7	49%	0.491	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	10.6	176	-64.4	-168.6	174.1	171.3	-1.3	114.3	R163 V173 H199 Q200	R163-R175 VanDerWaalsContact NH2-CG 3.28Å; V173-R175 PolarHBondContact O-N 3.18Å; V173-R175 VanDerWaalsContact O-N 3.14Å; R175-H199 VanDerWaalsContact CB-CE1 3.41Å; R175-H199 WeakPolarHBondContact CB-CE1 3.38Å; R175-H199 PolarHBondContact O-ND1 3.17Å; R175-Q200 PolarHBondContact O-N 2.88Å
176	S	93.5	Very high	86.3	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	157.7	-179.8	-47.4	0	0	0	0	112.1	V173 F198	V173-S176 PolarHBondContact N-O 3.36Å; V173-S176 PolarHBondContact O-N 3.43Å; S176-F198 CarbonylContact C-O 3.59Å; S176-F198 WeakPolarHBondContact CA-O 3.4Å; S176-F198 VanDerWaalsContact CB-O 3.3Å; S176-F198 WeakPolarHBondContact CB-O 3.27Å
177	F	93.4	Very high	86.3	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.009	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.2	-179.7	-62.1	-73.9	0	0	0	109	R163 P166 S167 Y170 P172 G197 F198 Q200	R163-F177 HydrophobicContact CB-CZ 4.15Å; R163-F177 HydrophobicContact CG-CE2 4.31Å; R163-F177 HydrophobicContact CG-CZ 4.02Å; P166-F177 HydrophobicContact CB-CD1 3.97Å; P166-F177 HydrophobicContact CB-CD2 3.91Å; P166-F177 HydrophobicContact CB-CE1 3.87Å; P166-F177 HydrophobicContact CB-CE2 3.79Å; P166-F177 HydrophobicContact CB-CG 3.99Å; P166-F177 HydrophobicContact CB-CZ 3.77Å; P166-F177 WeakPolarHBondContact O-CD1 3.23Å; S167-F177 WeakPolarHBondContact OG-CE1 3.23Å; Y170-F177 HydrophobicContact CD2-CB 4.12Å; Y170-F177 HydrophobicContact CG-CB 4.19Å; P172-F177 HydrophobicContact CB-CD1 4.13Å; P172-F177 HydrophobicContact CB-CE1 4.01Å; F177-G197 CarbonylContact O-C 3.57Å; F177-G197 WeakPolarHBondContact O-CA 3.48Å; F177-F198 HydrophobicContact CB-CD1 4.33Å; F177-F198 HydrophobicContact CB-CE1 3.88Å; F177-F198 HydrophobicContact CB-CE2 4.33Å; F177-F198 HydrophobicContact CB-CZ 3.88Å; F177-F198 HydrophobicContact CD2-CD2 4.25Å; F177-F198 AromaticContact CD2-CE2 3.61Å; F177-F198 HydrophobicContact CD2-CE2 3.61Å; F177-F198 AromaticContact CD2-CZ 3.82Å; F177-F198 HydrophobicContact CD2-CZ 3.82Å; F177-F198 HydrophobicContact CE2-CE2 4.41Å; F177-F198 HydrophobicContact CG-CE2 4.37Å; F177-F198 HydrophobicContact CG-CZ 4.16Å; F177-F198 PolarHBondContact N-O 3.19Å; F177-F198 PolarHBondContact O-N 3.27Å; F177-Q200 HydrophobicContact CD2-CB 4.34Å; F177-Q200 HydrophobicContact CE2-CB 4.03Å
178	F	92.9	Very high	86.3	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.022	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.5	-176.3	-64.6	-85.2	0	0	0	111.2	T171 V173 W195 T218 F220	T171-F178 WeakPolarHBondContact CB-O 3.18Å; T171-F178 PolarHBondContact N-O 3.05Å; T171-F178 PolarHBondContact O-N 2.77Å; V173-F178 HydrophobicContact CB-CD2 3.78Å; V173-F178 HydrophobicContact CB-CE2 3.7Å; V173-F178 HydrophobicContact CG1-CE2 4.17Å; V173-F178 HydrophobicContact CG2-CD2 3.73Å; V173-F178 HydrophobicContact CG2-CE2 4.1Å; F178-W195 HydrophobicContact CB-CB 4.48Å; F178-W195 HydrophobicContact CB-CE3 4.15Å; F178-W195 HydrophobicContact CD1-CB 4.47Å; F178-T218 HydrophobicContact CD1-CG2 3.87Å; F178-T218 HydrophobicContact CD2-CG2 4.11Å; F178-T218 HydrophobicContact CE1-CG2 3.56Å; F178-T218 HydrophobicContact CE2-CG2 3.78Å; F178-T218 HydrophobicContact CG-CG2 4.14Å; F178-T218 HydrophobicContact CZ-CG2 3.5Å; F178-T218 VanDerWaalsContact CZ-CG2 3.5Å; F178-F220 HydrophobicContact CB-CE2 3.85Å; F178-F220 HydrophobicContact CB-CZ 3.88Å; F178-F220 HydrophobicContact CD1-CE2 4.3Å; F178-F220 HydrophobicContact CD2-CE2 4.32Å; F178-F220 HydrophobicContact CD2-CZ 4.34Å; F178-F220 AromaticContact CG-CE2 3.9Å; F178-F220 HydrophobicContact CG-CE2 3.9Å; F178-F220 HydrophobicContact CG-CZ 4.18Å
179	S	89.3	Confident	86.5	Confident	44 Å²	44	61.7 Å²	61.7	31%	0.308	36%	0.36	S	S	.	.			trans	-120.8	158.3	174.6	55.7	0	0	0	0	110.8	W195 F196	S179-W195 VanDerWaalsContact C-CE3 3.41Å; S179-W195 VanDerWaalsContact O-CE3 3.25Å; S179-F196 PolarHBondContact N-O 3.34Å
180	S	84.1	Confident	86.6	Confident	61 Å²	61	55.3 Å²	55.3	43%	0.427	34%	0.337	S	S	.	.			trans	-60.1	145.9	169.6	-169.8	0	0	0	0	109.6	E182	S180-E182 PolarHBondContact O-N 3.03Å
181	P	79.6	Confident	86.7	Confident	23 Å²	23	52 Å²	52	15%	0.149	32%	0.324	C	S	.	.			trans	-56.8	128.1	169.3	-23.8	34	0	0	0	111.3	Y184	P181-Y184 HydrophobicContact CB-CD2 3.82Å; P181-Y184 HydrophobicContact CB-CE2 3.48Å; P181-Y184 VanDerWaalsContact CB-CE2 3.48Å; P181-Y184 HydrophobicContact CB-CG 4.44Å; P181-Y184 WeakPolarHBondContact CB-O 3.36Å; P181-Y184 HydrophobicContact CG-CE2 3.98Å
182	E	75.3	Confident	86.9	Confident	167 Å²	167	50.7 Å²	50.7	78%	0.78	32%	0.315	S	S	*	.	S	Bend	trans	-120.2	113.2	171.9	-71.6	179.5	-168.8	0	0	107.5	S180 Y184	S180-E182 PolarHBondContact O-N 3.03Å; E182-Y184 WeakPolarHBondContact O-CD1 3.49Å; E182-Y184 PolarHBondContact O-N 3.38Å
183	G	73.1	Confident	87	Confident	94 Å²	94	48.9 Å²	48.9	97%	0.969	30%	0.301	S	S	*	.	S	Bend	trans	79.3	8.6	179.4	0	0	0	0	0	116.3
184	Y	73.6	Confident	87.2	Confident	85 Å²	85	47.9 Å²	47.9	33%	0.333	30%	0.295	S	S	.	.			trans	-145.9	147.4	171.7	59.6	-91	0	0	0	111.1	P181 E182 H186 F196	P181-Y184 HydrophobicContact CB-CD2 3.82Å; P181-Y184 HydrophobicContact CB-CE2 3.48Å; P181-Y184 VanDerWaalsContact CB-CE2 3.48Å; P181-Y184 HydrophobicContact CB-CG 4.44Å; P181-Y184 WeakPolarHBondContact CB-O 3.36Å; P181-Y184 HydrophobicContact CG-CE2 3.98Å; E182-Y184 WeakPolarHBondContact O-CD1 3.49Å; E182-Y184 PolarHBondContact O-N 3.38Å; Y184-H186 AromaticContact CD2-CD2 3.67Å; Y184-F196 HydrophobicContact CD2-CD2 4.42Å; Y184-F196 HydrophobicContact CD2-CE2 4.48Å; Y184-F196 AromaticContact CE2-CD2 3.55Å; Y184-F196 HydrophobicContact CE2-CD2 3.55Å; Y184-F196 HydrophobicContact CE2-CE2 4.02Å; Y184-F196 AromaticContact CZ-CD2 3.83Å
185	D	75.8	Confident	87.5	Confident	101 Å²	101	45 Å²	45	54%	0.54	26%	0.262	S	S	.	.			trans	-126.7	130.2	173.6	-173.2	11.4	0	0	0	110.3	P187	D185-P187 WeakPolarHBondContact OD1-CD 3.19Å
186	H	86.9	Confident	87.6	Confident	60 Å²	60	41 Å²	41	28%	0.278	25%	0.248	S	C	.	.			trans	-130.6	75.5	178.1	-69.6	-50.3	0	0	0	109.9	Y184 E193 V194 F196	Y184-H186 AromaticContact CD2-CD2 3.67Å; H186-E193 WeakPolarHBondContact O-CA 3.04Å; H186-V194 HydrophobicContact CB-CB 3.96Å; H186-V194 HydrophobicContact CB-CG2 4.17Å; H186-V194 PolarHBondContact O-N 3.22Å; H186-V194 VanDerWaalsContact O-N 3.08Å; H186-F196 AromaticContact CD2-CE2 3.62Å; H186-F196 AromaticContact NE2-CE2 3.92Å
187	P	90.8	Very high	87.6	Confident	61 Å²	61	41.1 Å²	41.1	40%	0.396	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-69.3	135.5	178.6	29.2	-34	0	0	0	110.1	D185	D185-P187 WeakPolarHBondContact OD1-CD 3.19Å
188	L	91.2	Very high	87.6	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.073	25%	0.254	C	S	.	.			trans	-94.8	-16.1	173.2	-64.3	176.8	0	0	0	111.8	R192 V194 A219 L352 Q356 T359 M360	L188-R192 HydrophobicContact CB-CB 4.1Å; L188-R192 HydrophobicContact CD1-CB 4.4Å; L188-R192 PolarHBondContact N-O 2.79Å; L188-V194 HydrophobicContact CD1-CG2 3.93Å; L188-V194 HydrophobicContact CD2-CG2 3.6Å; L188-V194 HydrophobicContact CG-CG2 3.78Å; L188-A219 HydrophobicContact CD1-CB 3.75Å; L188-L352 HydrophobicContact CD1-CD1 4.42Å; L188-L352 HydrophobicContact CD1-CD2 4.48Å; L188-Q356 HydrophobicContact CB-CB 4.49Å; L188-Q356 HydrophobicContact CB-CG 4.15Å; L188-Q356 VanDerWaalsContact O-CG 3.25Å; L188-Q356 WeakPolarHBondContact O-CG 3.47Å; L188-T359 HydrophobicContact CD2-CG2 4Å; L188-M360 HydrophobicContact CD2-CB 3.96Å
189	G	90.1	Very high	87.7	Confident	30 Å²	30	41.8 Å²	41.8	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	81	164.8	-168.9	0	0	0	0	0	112.4	G191 Q356	G189-G191 VanDerWaalsContact C-N 3.3Å; G189-G191 PolarHBondContact O-N 3.2Å; G189-Q356 PolarHBondContact O-NE2 3.39Å
190	G	90.7	Very high	87.9	Confident	14 Å²	14	39.7 Å²	39.7	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	66.7	29.5	-175.3	0	0	0	0	0	113.9	E232	G190-E232 WeakPolarHBondContact CA-O 3.45Å; G190-E232 PolarHBondContact N-O 3.42Å
191	G	92.4	Very high	88.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	76.6	21.5	179.5	0	0	0	0	0	114.9	G189 Y221 K222 E232	G189-G191 VanDerWaalsContact C-N 3.3Å; G189-G191 PolarHBondContact O-N 3.2Å; G191-Y221 WeakPolarHBondContact O-CA 3.44Å; G191-K222 PolarHBondContact O-N 3.14Å; G191-E232 WeakPolarHBondContact CA-OE2 3.3Å; G191-E232 PolarHBondContact N-OE2 2.89Å
192	R	95	Very high	88.8	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.8	-172.3	-59	168.3	-166.5	-178	-5.2	111.2	L188 F220 Y221 E257	L188-R192 HydrophobicContact CB-CB 4.1Å; L188-R192 HydrophobicContact CD1-CB 4.4Å; L188-R192 PolarHBondContact N-O 2.79Å; R192-F220 CarbonylContact C-O 3.55Å; R192-F220 VanDerWaalsContact CA-O 3.29Å; R192-F220 WeakPolarHBondContact CA-O 3.43Å; R192-Y221 HydrophobicContact CG-CD1 4.11Å; R192-Y221 HydrophobicContact CG-CE1 4.11Å; R192-E257 IonicContact CZ-OE2 3.66Å; R192-E257 IonicContact NH2-OE1 3.56Å; R192-E257 PolarHBondContact NH2-OE1 3.35Å; R192-E257 VanDerWaalsContact NH2-OE1 3.1Å; R192-E257 IonicContact NH2-OE2 2.76Å; R192-E257 PolarHBondContact NH2-OE2 3.04Å
193	E	94.1	Very high	89.3	Confident	24 Å²	24	30.1 Å²	30.1	11%	0.112	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.6	178.9	62.1	-176.8	179.9	0	0	111.1	H186 W195 A219 F220 K222	H186-E193 WeakPolarHBondContact O-CA 3.04Å; E193-W195 PolarHBondContact OE1-NE1 3.09Å; E193-A219 CarbonylContact O-C 3.47Å; E193-A219 VanDerWaalsContact O-CA 3.31Å; E193-A219 WeakPolarHBondContact O-CA 3.37Å; E193-F220 PolarHBondContact N-O 3.08Å; E193-F220 PolarHBondContact O-N 2.79Å; E193-K222 HydrophobicContact CB-CG 3.86Å; E193-K222 HydrophobicContact CG-CG 3.84Å
194	V	93.8	Very high	89.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.6	176.7	-175.9	0	0	0	0	110	H186 L188 F196 A217 M360 T364	H186-V194 HydrophobicContact CB-CB 3.96Å; H186-V194 HydrophobicContact CB-CG2 4.17Å; H186-V194 PolarHBondContact O-N 3.22Å; H186-V194 VanDerWaalsContact O-N 3.08Å; L188-V194 HydrophobicContact CD1-CG2 3.93Å; L188-V194 HydrophobicContact CD2-CG2 3.6Å; L188-V194 HydrophobicContact CG-CG2 3.78Å; V194-F196 HydrophobicContact CG1-CE2 4.42Å; V194-F196 HydrophobicContact CG1-CZ 4.46Å; V194-A217 HydrophobicContact CG1-CB 3.95Å; V194-M360 HydrophobicContact CG2-CG 4.48Å; V194-T364 HydrophobicContact CG1-CG2 4.12Å
195	W	93.4	Very high	90.5	Very high	12 Å²	12	23.6 Å²	23.6	5%	0.045	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.6	165.2	-69.5	17.4	0	0	0	109.5	F178 S179 E193 A217 T218 F220 G345	F178-W195 HydrophobicContact CB-CB 4.48Å; F178-W195 HydrophobicContact CB-CE3 4.15Å; F178-W195 HydrophobicContact CD1-CB 4.47Å; S179-W195 VanDerWaalsContact C-CE3 3.41Å; S179-W195 VanDerWaalsContact O-CE3 3.25Å; E193-W195 PolarHBondContact OE1-NE1 3.09Å; W195-A217 VanDerWaalsContact O-CA 3.31Å; W195-A217 WeakPolarHBondContact O-CA 3.36Å; W195-T218 PolarHBondContact N-O 3.16Å; W195-T218 PolarHBondContact O-N 2.77Å; W195-F220 HydrophobicContact CB-CD2 3.44Å; W195-F220 VanDerWaalsContact CB-CD2 3.44Å; W195-F220 HydrophobicContact CB-CE2 3.71Å; W195-F220 HydrophobicContact CB-CG 4.26Å; W195-F220 HydrophobicContact CD2-CB 3.96Å; W195-F220 AromaticContact CD2-CD1 3.92Å; W195-F220 HydrophobicContact CD2-CD1 3.92Å; W195-F220 AromaticContact CD2-CD2 3.6Å; W195-F220 HydrophobicContact CD2-CD2 3.6Å; W195-F220 HydrophobicContact CD2-CE1 4.3Å; W195-F220 AromaticContact CD2-CE2 3.95Å; W195-F220 HydrophobicContact CD2-CE2 3.95Å; W195-F220 AromaticContact CD2-CG 3.56Å; W195-F220 HydrophobicContact CD2-CG 3.56Å; W195-F220 HydrophobicContact CD2-CZ 4.31Å; W195-F220 AromaticContact CE2-CG 3.94Å; W195-F220 AromaticContact CE3-CD1 3.87Å; W195-F220 HydrophobicContact CE3-CD1 3.87Å; W195-F220 AromaticContact CE3-CD2 3.92Å; W195-F220 HydrophobicContact CE3-CD2 3.92Å; W195-F220 AromaticContact CE3-CE1 3.8Å; W195-F220 HydrophobicContact CE3-CE1 3.8Å; W195-F220 AromaticContact CE3-CE2 3.79Å; W195-F220 HydrophobicContact CE3-CE2 3.79Å; W195-F220 AromaticContact CE3-CG 3.94Å; W195-F220 HydrophobicContact CE3-CG 3.94Å; W195-F220 AromaticContact CE3-CZ 3.76Å; W195-F220 HydrophobicContact CE3-CZ 3.76Å; W195-F220 HydrophobicContact CG-CB 3.89Å; W195-F220 HydrophobicContact CG-CD1 4.5Å; W195-F220 AromaticContact CG-CD2 3.37Å; W195-F220 HydrophobicContact CG-CD2 3.37Å; W195-F220 AromaticContact CG-CE2 3.94Å; W195-F220 HydrophobicContact CG-CE2 3.94Å; W195-F220 AromaticContact CG-CG 3.69Å; W195-F220 HydrophobicContact CG-CG 3.69Å; W195-F220 HydrophobicContact CH2-CD1 4.5Å; W195-F220 HydrophobicContact CZ3-CD1 4.17Å; W195-F220 HydrophobicContact CZ3-CE1 4.05Å; W195-F220 HydrophobicContact CZ3-CZ 4.36Å; W195-G345 VanDerWaalsContact CH2-CA 3.49Å
196	F	91.3	Very high	90.7	Very high	46 Å²	46	19.4 Å²	19.4	20%	0.202	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	159.9	169.5	-70.4	-81.9	0	0	0	110.4	S179 Y184 H186 V194 S216 A217 T364	S179-F196 PolarHBondContact N-O 3.34Å; Y184-F196 HydrophobicContact CD2-CD2 4.42Å; Y184-F196 HydrophobicContact CD2-CE2 4.48Å; Y184-F196 AromaticContact CE2-CD2 3.55Å; Y184-F196 HydrophobicContact CE2-CD2 3.55Å; Y184-F196 HydrophobicContact CE2-CE2 4.02Å; Y184-F196 AromaticContact CZ-CD2 3.83Å; H186-F196 AromaticContact CD2-CE2 3.62Å; H186-F196 AromaticContact NE2-CE2 3.92Å; V194-F196 HydrophobicContact CG1-CE2 4.42Å; V194-F196 HydrophobicContact CG1-CZ 4.46Å; F196-S216 CarbonylContact C-O 3.36Å; F196-S216 WeakPolarHBondContact CA-O 3.43Å; F196-A217 HydrophobicContact CD1-CB 3.78Å; F196-A217 HydrophobicContact CE1-CB 3.88Å; F196-T364 HydrophobicContact CE1-CG2 4Å; F196-T364 HydrophobicContact CZ-CG2 4.23Å
197	G	92.5	Very high	90	Very high	15 Å²	15	24.1 Å²	24.1	16%	0.155	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-162.6	-175.7	0	0	0	0	0	110.1	F177 S216	F177-G197 CarbonylContact O-C 3.57Å; F177-G197 WeakPolarHBondContact O-CA 3.48Å; G197-S216 CarbonylContact C-O 3.58Å; G197-S216 PolarHBondContact N-O 3.06Å; G197-S216 PolarHBondContact O-N 2.88Å; G197-S216 VanDerWaalsContact O-O 3.09Å
198	F	93.8	Very high	89.7	Confident	15 Å²	15	25 Å²	25	7%	0.066	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.3	-178.6	63.7	-84.5	0	0	0	111.7	P166 Y170 S176 F177 Q200 D214 L378	P166-F198 HydrophobicContact CB-CZ 4.35Å; Y170-F198 HydrophobicContact CD2-CE1 4.03Å; Y170-F198 HydrophobicContact CD2-CZ 4.18Å; Y170-F198 AromaticContact CE2-CE1 3.84Å; Y170-F198 HydrophobicContact CE2-CE1 3.84Å; Y170-F198 HydrophobicContact CE2-CZ 4.07Å; S176-F198 CarbonylContact C-O 3.59Å; S176-F198 WeakPolarHBondContact CA-O 3.4Å; S176-F198 VanDerWaalsContact CB-O 3.3Å; S176-F198 WeakPolarHBondContact CB-O 3.27Å; F177-F198 HydrophobicContact CB-CD1 4.33Å; F177-F198 HydrophobicContact CB-CE1 3.88Å; F177-F198 HydrophobicContact CB-CE2 4.33Å; F177-F198 HydrophobicContact CB-CZ 3.88Å; F177-F198 HydrophobicContact CD2-CD2 4.25Å; F177-F198 AromaticContact CD2-CE2 3.61Å; F177-F198 HydrophobicContact CD2-CE2 3.61Å; F177-F198 AromaticContact CD2-CZ 3.82Å; F177-F198 HydrophobicContact CD2-CZ 3.82Å; F177-F198 HydrophobicContact CE2-CE2 4.41Å; F177-F198 HydrophobicContact CG-CE2 4.37Å; F177-F198 HydrophobicContact CG-CZ 4.16Å; F177-F198 PolarHBondContact N-O 3.19Å; F177-F198 PolarHBondContact O-N 3.27Å; F198-Q200 HydrophobicContact CD2-CB 4.27Å; F198-Q200 HydrophobicContact CE2-CB 4.22Å; F198-D214 CarbonylContact C-O 3.52Å; F198-D214 WeakPolarHBondContact CA-O 3.21Å; F198-L378 HydrophobicContact CB-CD2 3.31Å; F198-L378 HydrophobicContact CB-CG 4.48Å; F198-L378 HydrophobicContact CD1-CD1 4.09Å; F198-L378 HydrophobicContact CD1-CD2 4.26Å; F198-L378 HydrophobicContact CD2-CD2 4.41Å; F198-L378 HydrophobicContact CG-CD1 4.44Å; F198-L378 HydrophobicContact CG-CD2 3.78Å
199	H	94.4	Very high	89.6	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140.1	165.5	173.7	82.6	0	0	0	109.2	R175 S201 I213 D214 H708	R175-H199 VanDerWaalsContact CB-CE1 3.41Å; R175-H199 WeakPolarHBondContact CB-CE1 3.38Å; R175-H199 PolarHBondContact O-ND1 3.17Å; H199-S201 WeakPolarHBondContact NE2-CB 3.4Å; H199-S201 PolarHBondContact NE2-OG 3.42Å; H199-I213 WeakPolarHBondContact O-CA 3.36Å; H199-D214 HydrophobicContact CB-CB 4.34Å; H199-D214 PolarHBondContact N-O 3.46Å; H199-D214 PolarHBondContact O-N 3.05Å; H199-D214 VanDerWaalsContact O-N 3.17Å; H199-H708 HydrophobicContact CB-CB 4.37Å; H199-H708 VanDerWaalsContact CB-ND1 3.35Å; H199-H708 WeakPolarHBondContact CB-ND1 3.2Å; H199-H708 WeakPolarHBondContact CD2-CB 3.14Å; H199-H708 AromaticContact CD2-CD2 3.59Å; H199-H708 AromaticContact CD2-CG 3.24Å; H199-H708 AromaticContact CD2-ND1 3.82Å; H199-H708 AromaticContact CE1-CD2 3.29Å; H199-H708 PolarHBondContact CE1-CD2 2.92Å; H199-H708 AromaticContact CE1-CG 3.8Å; H199-H708 AromaticContact CE1-NE2 3.83Å; H199-H708 AromaticContact CG-CD2 3.39Å; H199-H708 AromaticContact CG-CE1 3.6Å; H199-H708 AromaticContact CG-CG 3.2Å; H199-H708 AromaticContact CG-ND1 3.37Å; H199-H708 AromaticContact CG-NE2 3.67Å; H199-H708 AromaticContact ND1-CD2 3.23Å; H199-H708 PolarHBondContact ND1-CD2 3.07Å; H199-H708 AromaticContact ND1-CE1 3.7Å; H199-H708 AromaticContact ND1-CG 3.61Å; H199-H708 AromaticContact ND1-ND1 3.9Å; H199-H708 AromaticContact ND1-NE2 3.34Å; H199-H708 PolarHBondContact ND1-NE2 3.24Å; H199-H708 AromaticContact NE2-CD2 3.52Å; H199-H708 AromaticContact NE2-CG 3.61Å
200	Q	93.5	Very high	89.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.7	172.8	-178.4	178.3	-52.3	0	0	109.1	L162 R163 R175 F177 F198 L211 N212 I213 Y384	L162-Q200 PolarHBondContact O-NE2 3.17Å; R163-Q200 PolarHBondContact NH2-O 2.66Å; R175-Q200 PolarHBondContact O-N 2.88Å; F177-Q200 HydrophobicContact CD2-CB 4.34Å; F177-Q200 HydrophobicContact CE2-CB 4.03Å; F198-Q200 HydrophobicContact CD2-CB 4.27Å; F198-Q200 HydrophobicContact CE2-CB 4.22Å; Q200-L211 HydrophobicContact CG-CD1 3.6Å; Q200-N212 WeakPolarHBondContact CA-O 3.37Å; Q200-I213 HydrophobicContact CB-CD1 3.87Å; Q200-I213 HydrophobicContact CG-CD1 3.68Å; Q200-Y384 PolarHBondContact OE1-OH 3.14Å
201	S	91.6	Very high	89.9	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	139.8	167.9	55.4	0	0	0	0	111.1	H199 N212	H199-S201 WeakPolarHBondContact NE2-CB 3.4Å; H199-S201 PolarHBondContact NE2-OG 3.42Å; S201-N212 PolarHBondContact N-O 3.24Å; S201-N212 WeakPolarHBondContact O-CB 3.43Å; S201-N212 PolarHBondContact O-N 3.44Å
202	V	91.1	Very high	90.1	Very high	11 Å²	11	23.2 Å²	23.2	7%	0.067	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.2	171.8	-169.5	0	0	0	0	109.3	V158 D159 L162 M209 M210 L211	V158-V202 HydrophobicContact CB-CG1 4.39Å; V158-V202 HydrophobicContact CG1-CG1 3.72Å; V158-V202 HydrophobicContact CG1-CG2 4.28Å; D159-V202 HydrophobicContact CB-CB 4.3Å; D159-V202 HydrophobicContact CB-CG2 4.08Å; L162-V202 HydrophobicContact CD1-CG2 3.65Å; V202-M209 HydrophobicContact CG1-CE 3.36Å; V202-M210 CarbonylContact C-O 3.58Å; V202-M210 WeakPolarHBondContact CA-O 3.49Å; V202-L211 HydrophobicContact CG2-CD1 4.13Å
203	R	86.5	Confident	90.1	Very high	38 Å²	38	23 Å²	23	14%	0.143	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.4	176	-69	-169.7	132	130.4	-5.3	111.5	M210 E669	R203-M210 PolarHBondContact N-O 2.99Å; R203-M210 PolarHBondContact O-N 2.88Å; R203-E669 IonicContact CZ-OE1 2.82Å; R203-E669 IonicContact CZ-OE2 2.77Å; R203-E669 IonicContact NE-OE1 3.59Å; R203-E669 IonicContact NE-OE2 3.81Å; R203-E669 IonicContact NH2-OE1 4Å; R203-E669 PolarHBondContact NH2-OE1 2.86Å; R203-E669 IonicContact NH2-OE2 3.44Å; R203-E669 PolarHBondContact NH2-OE2 3.38Å
204	P	86.3	Confident	90.1	Very high	41 Å²	41	22 Å²	22	27%	0.266	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.1	163.4	31	-32.3	0	0	0	108.4	L135 M209 P739	L135-P204 HydrophobicContact CD2-CB 3.62Å; P204-M209 HydrophobicContact CB-SD 4.15Å; P204-P739 HydrophobicContact CB-CG 4.07Å
205	A	85.1	Confident	90.1	Very high	1 Å²	1	23 Å²	23	1%	0.008	11%	0.107	C	C	.	.			trans	-131.2	174.9	171.7	0	0	0	0	0	109.1	W207 K208 M210 D735 T737 P739	A205-W207 PolarHBondContact O-N 3.39Å; A205-W207 VanDerWaalsContact O-N 3.12Å; A205-K208 CarbonylContact C-O 3.6Å; A205-K208 PolarHBondContact N-O 3.09Å; A205-K208 PolarHBondContact O-N 2.98Å; A205-K208 VanDerWaalsContact O-O 3.04Å; A205-M210 HydrophobicContact CB-CB 4.29Å; A205-M210 HydrophobicContact CB-CE 4.38Å; A205-M210 HydrophobicContact CB-CG 3.42Å; A205-M210 VanDerWaalsContact CB-CG 3.42Å; A205-D735 VanDerWaalsContact CB-O 3.27Å; A205-D735 WeakPolarHBondContact CB-O 3.5Å; A205-T737 WeakPolarHBondContact CA-O 3.32Å; A205-P739 WeakPolarHBondContact O-CG 3.5Å
206	M	80.1	Confident	89.9	Confident	12 Å²	12	23.7 Å²	23.7	6%	0.059	11%	0.114	C	C	.	.	S	Bend	trans	-54.2	125.1	178.3	-66.8	-179.5	-178.5	0	0	110.1	R15 Y18 K208 D735 T737 H738	R15-M206 VanDerWaalsContact CZ-CE 3.5Å; R15-M206 VanDerWaalsContact NH2-CE 3.34Å; Y18-M206 HydrophobicContact CE1-CE 3.53Å; Y18-M206 HydrophobicContact CE1-SD 3.77Å; Y18-M206 WeakPolarHBondContact OH-CE 3.37Å; Y18-M206 PolarHBondContact OH-SD 3.46Å; M206-K208 PolarHBondContact O-N 3.19Å; M206-D735 PolarHBondContact N-O 3.47Å; M206-T737 VanDerWaalsContact CE-OG1 3.28Å; M206-T737 WeakPolarHBondContact CE-OG1 3.45Å; M206-T737 PolarHBondContact N-O 3.04Å; M206-H738 WeakPolarHBondContact CE-O 3.25Å
207	W	73.3	Confident	89.9	Confident	159 Å²	159	22.7 Å²	22.7	60%	0.602	11%	0.114	S	C	*	.	S	Bend	trans	70.6	-23.2	176.7	-42.6	102.5	0	0	0	116.8	L135 T136 A205	L135-W207 PolarHBondContact O-N 3.01Å; T136-W207 HydrophobicContact CG2-CE3 4.39Å; A205-W207 PolarHBondContact O-N 3.39Å; A205-W207 VanDerWaalsContact O-N 3.12Å
208	K	83.1	Confident	90	Very high	81 Å²	81	22.8 Å²	22.8	35%	0.352	11%	0.111	S	C	.	.	S	Bend	trans	-150	161.9	-169.5	-57.5	-172.3	-174.5	178.1	0	113.5	Q33 A205 M206	Q33-K208 HydrophobicContact CG-CB 4.37Å; Q33-K208 HydrophobicContact CG-CD 3.52Å; A205-K208 CarbonylContact C-O 3.6Å; A205-K208 PolarHBondContact N-O 3.09Å; A205-K208 PolarHBondContact O-N 2.98Å; A205-K208 VanDerWaalsContact O-O 3.04Å; M206-K208 PolarHBondContact O-N 3.19Å
209	M	90.3	Very high	89.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.8	167.9	-65.8	-56.3	-60.8	0	0	110.3	V34 I36 L131 L135 V155 V202 P204	V34-M209 HydrophobicContact CB-CB 4.11Å; V34-M209 PolarHBondContact N-O 3.47Å; I36-M209 HydrophobicContact CD1-CG 3.87Å; I36-M209 HydrophobicContact CG1-CG 4.32Å; L131-M209 HydrophobicContact CD1-SD 4.14Å; L131-M209 HydrophobicContact CD2-CG 4.28Å; L131-M209 HydrophobicContact CD2-SD 4.01Å; L131-M209 HydrophobicContact CG-SD 4.3Å; L135-M209 HydrophobicContact CD1-CG 3.83Å; L135-M209 HydrophobicContact CD1-SD 3.72Å; L135-M209 HydrophobicContact CD2-SD 3.96Å; L135-M209 HydrophobicContact CG-SD 4.37Å; V155-M209 HydrophobicContact CB-CE 4.5Å; V155-M209 HydrophobicContact CG1-CE 3.97Å; V155-M209 HydrophobicContact CG2-CE 4.11Å; V202-M209 HydrophobicContact CG1-CE 3.36Å; P204-M209 HydrophobicContact CB-SD 4.15Å
210	M	92.4	Very high	90	Very high	18 Å²	18	21.9 Å²	21.9	9%	0.089	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129	-179.8	-66.9	-67.6	-167.8	0	0	110.7	C31 V202 R203 A205 A402 I736	C31-M210 HydrophobicContact CB-CB 4.18Å; C31-M210 HydrophobicContact CB-CG 4.4Å; C31-M210 HydrophobicContact CB-SD 4.21Å; V202-M210 CarbonylContact C-O 3.58Å; V202-M210 WeakPolarHBondContact CA-O 3.49Å; R203-M210 PolarHBondContact N-O 2.99Å; R203-M210 PolarHBondContact O-N 2.88Å; A205-M210 HydrophobicContact CB-CB 4.29Å; A205-M210 HydrophobicContact CB-CE 4.38Å; A205-M210 HydrophobicContact CB-CG 3.42Å; A205-M210 VanDerWaalsContact CB-CG 3.42Å; M210-A402 HydrophobicContact CE-CB 4.35Å; M210-I736 HydrophobicContact CE-CG2 4.46Å
211	L	94.4	Very high	90	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.4	168.8	-175.9	63	0	0	0	108.9	C31 F32 V34 L162 Q200 V202 I213 Y384 V397	C31-L211 CarbonylContact C-O 3.52Å; C31-L211 WeakPolarHBondContact CA-O 3.32Å; F32-L211 HydrophobicContact CB-CB 4.33Å; F32-L211 WeakPolarHBondContact CD2-O 3.33Å; F32-L211 PolarHBondContact N-O 3.41Å; F32-L211 PolarHBondContact O-N 2.62Å; V34-L211 HydrophobicContact CG2-CB 3.62Å; L162-L211 HydrophobicContact CD1-CD1 4.05Å; Q200-L211 HydrophobicContact CG-CD1 3.6Å; V202-L211 HydrophobicContact CG2-CD1 4.13Å; L211-I213 HydrophobicContact CD1-CD1 4.16Å; L211-I213 HydrophobicContact CD2-CD1 4Å; L211-I213 HydrophobicContact CD2-CG1 4.15Å; L211-I213 HydrophobicContact CG-CD1 3.8Å; L211-I213 HydrophobicContact CG-CG1 3.94Å; L211-Y384 HydrophobicContact CD2-CD2 4.47Å; L211-Y384 HydrophobicContact CD2-CE1 4.29Å; L211-Y384 HydrophobicContact CD2-CE2 3.89Å; L211-V397 HydrophobicContact CD2-CG1 3.81Å
212	N	95.3	Very high	90.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.1	175.8	-175.7	-61.4	0	0	0	109.9	N30 Q200 S201 H708 T709	N30-N212 WeakPolarHBondContact O-CA 3.39Å; Q200-N212 WeakPolarHBondContact CA-O 3.37Å; S201-N212 PolarHBondContact N-O 3.24Å; S201-N212 WeakPolarHBondContact O-CB 3.43Å; S201-N212 PolarHBondContact O-N 3.44Å; N212-H708 WeakPolarHBondContact OD1-CB 3.35Å; N212-H708 PolarHBondContact OD1-O 2.92Å; N212-T709 PolarHBondContact ND2-N 3.45Å
213	I	95.6	Very high	90.2	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.8	179.2	-57.1	-64.2	0	0	0	110	N30 F32 H199 Q200 L211 I375 L378 V379	N30-I213 WeakPolarHBondContact CB-O 3.44Å; N30-I213 PolarHBondContact ND2-O 2.83Å; N30-I213 PolarHBondContact O-N 3.39Å; N30-I213 VanDerWaalsContact O-N 3.1Å; F32-I213 HydrophobicContact CD2-CB 4.21Å; F32-I213 HydrophobicContact CD2-CG1 4.06Å; F32-I213 HydrophobicContact CE2-CB 3.97Å; F32-I213 HydrophobicContact CE2-CG1 4.29Å; H199-I213 WeakPolarHBondContact O-CA 3.36Å; Q200-I213 HydrophobicContact CB-CD1 3.87Å; Q200-I213 HydrophobicContact CG-CD1 3.68Å; L211-I213 HydrophobicContact CD1-CD1 4.16Å; L211-I213 HydrophobicContact CD2-CD1 4Å; L211-I213 HydrophobicContact CD2-CG1 4.15Å; L211-I213 HydrophobicContact CG-CD1 3.8Å; L211-I213 HydrophobicContact CG-CG1 3.94Å; I213-I375 HydrophobicContact CG2-CG2 4.33Å; I213-L378 HydrophobicContact CG2-CD2 3.62Å; I213-V379 HydrophobicContact CB-CG2 4.16Å; I213-V379 HydrophobicContact CG1-CG2 4.1Å; I213-V379 HydrophobicContact CG2-CG2 4.04Å
214	D	95.3	Very high	90.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.9	176.3	-171.1	22.4	0	0	0	110.5	F198 H199 R371 H708 R710	F198-D214 CarbonylContact C-O 3.52Å; F198-D214 WeakPolarHBondContact CA-O 3.21Å; H199-D214 HydrophobicContact CB-CB 4.34Å; H199-D214 PolarHBondContact N-O 3.46Å; H199-D214 PolarHBondContact O-N 3.05Å; H199-D214 VanDerWaalsContact O-N 3.17Å; D214-R371 IonicContact OD1-CZ 3.52Å; D214-R371 IonicContact OD1-NE 3.56Å; D214-R371 PolarHBondContact OD1-NE 2.92Å; D214-R371 IonicContact OD1-NH2 3.74Å; D214-R371 PolarHBondContact OD1-NH2 3.3Å; D214-R371 IonicContact OD2-CZ 3.16Å; D214-R371 IonicContact OD2-NE 3.95Å; D214-R371 IonicContact OD2-NH2 3.72Å; D214-R371 PolarHBondContact OD2-NH2 3.27Å; D214-H708 HydrophobicContact CB-CB 4.01Å; D214-H708 IonicContact OD2-ND1 2.75Å; D214-R710 IonicContact OD2-CZ 3.16Å; D214-R710 VanDerWaalsContact OD2-CZ 3.31Å; D214-R710 IonicContact OD2-NE 2.86Å; D214-R710 PolarHBondContact OD2-NE 3.37Å; D214-R710 IonicContact OD2-NH2 3.7Å; D214-R710 PolarHBondContact OD2-NH2 2.98Å
215	V	92.6	Very high	91.1	Very high	22 Å²	22	25.6 Å²	25.6	13%	0.133	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	138	173.3	-66.9	0	0	0	0	110.6	R371 E374 I375 L378	V215-R371 HydrophobicContact CG2-CG 3.62Å; V215-R371 PolarHBondContact O-NH2 2.8Å; V215-E374 HydrophobicContact CG1-CB 4.07Å; V215-I375 HydrophobicContact CG1-CG1 3.97Å; V215-I375 HydrophobicContact CG2-CG1 4.3Å; V215-L378 HydrophobicContact CG1-CD2 4.46Å
216	S	90.4	Very high	91.6	Very high	28 Å²	28	25.5 Å²	25.5	20%	0.196	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.2	-174.9	-168.5	0	0	0	0	110.6	F196 G197	F196-S216 CarbonylContact C-O 3.36Å; F196-S216 WeakPolarHBondContact CA-O 3.43Å; G197-S216 CarbonylContact C-O 3.58Å; G197-S216 PolarHBondContact N-O 3.06Å; G197-S216 PolarHBondContact O-N 2.88Å; G197-S216 VanDerWaalsContact O-O 3.09Å
217	A	91.1	Very high	92.2	Very high	24 Å²	24	26 Å²	26	20%	0.198	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.3	175.1	0	0	0	0	0	109.5	V194 W195 F196 M360 T364	V194-A217 HydrophobicContact CG1-CB 3.95Å; W195-A217 VanDerWaalsContact O-CA 3.31Å; W195-A217 WeakPolarHBondContact O-CA 3.36Å; F196-A217 HydrophobicContact CD1-CB 3.78Å; F196-A217 HydrophobicContact CE1-CB 3.88Å; A217-M360 VanDerWaalsContact O-CE 3.26Å; A217-M360 WeakPolarHBondContact O-CE 3.5Å; A217-T364 HydrophobicContact CB-CG2 3.33Å
218	T	92.9	Very high	93.2	Very high	17 Å²	17	23 Å²	23	10%	0.104	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157	176.6	-170.6	0	0	0	0	110.7	F178 W195 F220	F178-T218 HydrophobicContact CD1-CG2 3.87Å; F178-T218 HydrophobicContact CD2-CG2 4.11Å; F178-T218 HydrophobicContact CE1-CG2 3.56Å; F178-T218 HydrophobicContact CE2-CG2 3.78Å; F178-T218 HydrophobicContact CG-CG2 4.14Å; F178-T218 HydrophobicContact CZ-CG2 3.5Å; F178-T218 VanDerWaalsContact CZ-CG2 3.5Å; W195-T218 PolarHBondContact N-O 3.16Å; W195-T218 PolarHBondContact O-N 2.77Å; T218-F220 HydrophobicContact CG2-CD2 3.77Å; T218-F220 HydrophobicContact CG2-CE2 3.27Å; T218-F220 HydrophobicContact CG2-CZ 4.22Å
219	A	93.5	Very high	93.7	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.4	176.8	0	0	0	0	0	111.6	L188 E193 C348 L352	L188-A219 HydrophobicContact CD1-CB 3.75Å; E193-A219 CarbonylContact O-C 3.47Å; E193-A219 VanDerWaalsContact O-CA 3.31Å; E193-A219 WeakPolarHBondContact O-CA 3.37Å; A219-C348 HydrophobicContact CB-CB 3.87Å; A219-C348 WeakPolarHBondContact O-CB 3.44Å; A219-C348 PolarHBondContact O-N 3.45Å; A219-L352 HydrophobicContact CB-CD1 4.27Å; A219-L352 HydrophobicContact CB-CD2 3.91Å
220	F	94.9	Very high	93.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	159.3	170	-81.1	-102.5	0	0	0	109.9	T171 V173 F178 R192 E193 W195 T218 Q346 R347	T171-F220 HydrophobicContact CG2-CE1 4.16Å; T171-F220 HydrophobicContact CG2-CZ 4.35Å; V173-F220 HydrophobicContact CG2-CZ 4.08Å; F178-F220 HydrophobicContact CB-CE2 3.85Å; F178-F220 HydrophobicContact CB-CZ 3.88Å; F178-F220 HydrophobicContact CD1-CE2 4.3Å; F178-F220 HydrophobicContact CD2-CE2 4.32Å; F178-F220 HydrophobicContact CD2-CZ 4.34Å; F178-F220 AromaticContact CG-CE2 3.9Å; F178-F220 HydrophobicContact CG-CE2 3.9Å; F178-F220 HydrophobicContact CG-CZ 4.18Å; R192-F220 CarbonylContact C-O 3.55Å; R192-F220 VanDerWaalsContact CA-O 3.29Å; R192-F220 WeakPolarHBondContact CA-O 3.43Å; E193-F220 PolarHBondContact N-O 3.08Å; E193-F220 PolarHBondContact O-N 2.79Å; W195-F220 HydrophobicContact CB-CD2 3.44Å; W195-F220 VanDerWaalsContact CB-CD2 3.44Å; W195-F220 HydrophobicContact CB-CE2 3.71Å; W195-F220 HydrophobicContact CB-CG 4.26Å; W195-F220 HydrophobicContact CD2-CB 3.96Å; W195-F220 AromaticContact CD2-CD1 3.92Å; W195-F220 HydrophobicContact CD2-CD1 3.92Å; W195-F220 AromaticContact CD2-CD2 3.6Å; W195-F220 HydrophobicContact CD2-CD2 3.6Å; W195-F220 HydrophobicContact CD2-CE1 4.3Å; W195-F220 AromaticContact CD2-CE2 3.95Å; W195-F220 HydrophobicContact CD2-CE2 3.95Å; W195-F220 AromaticContact CD2-CG 3.56Å; W195-F220 HydrophobicContact CD2-CG 3.56Å; W195-F220 HydrophobicContact CD2-CZ 4.31Å; W195-F220 AromaticContact CE2-CG 3.94Å; W195-F220 AromaticContact CE3-CD1 3.87Å; W195-F220 HydrophobicContact CE3-CD1 3.87Å; W195-F220 AromaticContact CE3-CD2 3.92Å; W195-F220 HydrophobicContact CE3-CD2 3.92Å; W195-F220 AromaticContact CE3-CE1 3.8Å; W195-F220 HydrophobicContact CE3-CE1 3.8Å; W195-F220 AromaticContact CE3-CE2 3.79Å; W195-F220 HydrophobicContact CE3-CE2 3.79Å; W195-F220 AromaticContact CE3-CG 3.94Å; W195-F220 HydrophobicContact CE3-CG 3.94Å; W195-F220 AromaticContact CE3-CZ 3.76Å; W195-F220 HydrophobicContact CE3-CZ 3.76Å; W195-F220 HydrophobicContact CG-CB 3.89Å; W195-F220 HydrophobicContact CG-CD1 4.5Å; W195-F220 AromaticContact CG-CD2 3.37Å; W195-F220 HydrophobicContact CG-CD2 3.37Å; W195-F220 AromaticContact CG-CE2 3.94Å; W195-F220 HydrophobicContact CG-CE2 3.94Å; W195-F220 AromaticContact CG-CG 3.69Å; W195-F220 HydrophobicContact CG-CG 3.69Å; W195-F220 HydrophobicContact CH2-CD1 4.5Å; W195-F220 HydrophobicContact CZ3-CD1 4.17Å; W195-F220 HydrophobicContact CZ3-CE1 4.05Å; W195-F220 HydrophobicContact CZ3-CZ 4.36Å; T218-F220 HydrophobicContact CG2-CD2 3.77Å; T218-F220 HydrophobicContact CG2-CE2 3.27Å; T218-F220 HydrophobicContact CG2-CZ 4.22Å; F220-Q346 WeakPolarHBondContact CA-O 3.27Å; F220-Q346 WeakPolarHBondContact CD1-O 3.17Å; F220-R347 HydrophobicContact CD1-CB 4.35Å; F220-R347 HydrophobicContact CE1-CB 4.04Å; F220-R347 HydrophobicContact CZ-CB 4.27Å
221	Y	94.6	Very high	93.9	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.6	168.3	-68.9	-77.2	0	0	0	109.4	G191 R192 F229 L261 Q346 C348	G191-Y221 WeakPolarHBondContact O-CA 3.44Å; R192-Y221 HydrophobicContact CG-CD1 4.11Å; R192-Y221 HydrophobicContact CG-CE1 4.11Å; Y221-F229 AromaticContact CD1-CE2 3.77Å; Y221-F229 HydrophobicContact CD1-CE2 3.77Å; Y221-F229 HydrophobicContact CD1-CZ 4.33Å; Y221-F229 HydrophobicContact CE1-CE2 4.06Å; Y221-F229 HydrophobicContact CE1-CZ 4.21Å; Y221-L261 HydrophobicContact CD1-CD1 3.98Å; Y221-L261 HydrophobicContact CD2-CD1 4.31Å; Y221-L261 HydrophobicContact CD2-CD2 3.65Å; Y221-L261 HydrophobicContact CE1-CD1 3.89Å; Y221-L261 HydrophobicContact CE1-CD2 4.38Å; Y221-L261 HydrophobicContact CE2-CD1 4.26Å; Y221-L261 HydrophobicContact CE2-CD2 3.3Å; Y221-L261 HydrophobicContact CE2-CG 4.42Å; Y221-L261 HydrophobicContact CG-CD1 4.17Å; Y221-L261 HydrophobicContact CG-CD2 4.33Å; Y221-Q346 HydrophobicContact CD2-CB 4.25Å; Y221-Q346 WeakPolarHBondContact CD2-O 3.12Å; Y221-Q346 PolarHBondContact N-O 3.17Å; Y221-C348 HydrophobicContact CD2-CB 4.37Å; Y221-C348 HydrophobicContact CE2-CB 3.97Å
222	K	94	Very high	93.7	Very high	30 Å²	30	21.1 Å²	21.1	13%	0.13	13%	0.127	C	C	.	.			trans	-60.7	139.8	176.3	-65.7	-178.3	177	179.9	0	110.2	G191 E193 Q224 E232 I342	G191-K222 PolarHBondContact O-N 3.14Å; E193-K222 HydrophobicContact CB-CG 3.86Å; E193-K222 HydrophobicContact CG-CG 3.84Å; K222-Q224 HydrophobicContact CB-CG 4.16Å; K222-Q224 PolarHBondContact O-N 2.72Å; K222-E232 IonicContact NZ-OE1 3.65Å; K222-E232 PolarHBondContact NZ-OE1 2.85Å; K222-E232 IonicContact NZ-OE2 3.35Å; K222-I342 WeakPolarHBondContact O-CB 3.28Å; K222-I342 WeakPolarHBondContact O-CG2 3.33Å
223	A	93.6	Very high	93.6	Very high	64 Å²	64	21.5 Å²	21.5	53%	0.529	13%	0.129	S	C	.	.			trans	-78.4	98.2	169	0	0	0	0	0	109.2	P344	A223-P344 HydrophobicContact CB-CB 3.87Å
224	Q	94.1	Very high	93.3	Very high	13 Å²	13	22 Å²	22	6%	0.061	13%	0.132	C	C	.	.			trans	-151.4	163.8	-173.2	64.9	-179.9	-25.2	0	0	111.7	K222 Q228 F229 I342	K222-Q224 HydrophobicContact CB-CG 4.16Å; K222-Q224 PolarHBondContact O-N 2.72Å; Q224-Q228 VanDerWaalsContact OE1-CG 3.23Å; Q224-F229 HydrophobicContact CG-CB 4.23Å; Q224-I342 PolarHBondContact O-N 2.99Å
225	P	95.9	Very high	92.9	Very high	57 Å²	57	27.6 Å²	27.6	37%	0.37	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-55	141.1	170.9	-25.4	35.7	0	0	0	112.2	I227 Q228 F229 N341	P225-I227 PolarHBondContact O-N 3.27Å; P225-Q228 PolarHBondContact O-N 3.11Å; P225-F229 PolarHBondContact O-N 2.85Å; P225-N341 WeakPolarHBondContact CA-OD1 3.3Å
226	V	95.9	Very high	92.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-29.9	179.8	168.3	0	0	0	0	111.7	F229 M230 F254 I258 V263 L324 L337 S340 I342	V226-F229 WeakPolarHBondContact O-CB 3.42Å; V226-F229 PolarHBondContact O-N 3.32Å; V226-M230 WeakPolarHBondContact O-CB 3.22Å; V226-M230 PolarHBondContact O-N 3.01Å; V226-F254 HydrophobicContact CG1-CZ 3.97Å; V226-I258 HydrophobicContact CG1-CD1 3.61Å; V226-I258 HydrophobicContact CG2-CD1 4.23Å; V226-V263 HydrophobicContact CG2-CG1 3.86Å; V226-L324 HydrophobicContact CG1-CD1 4.24Å; V226-L324 HydrophobicContact CG2-CD1 4.24Å; V226-L337 HydrophobicContact CG1-CB 4.15Å; V226-L337 HydrophobicContact CG1-CD2 3.98Å; V226-L337 HydrophobicContact CG1-CG 4.49Å; V226-S340 WeakPolarHBondContact CB-O 3.34Å; V226-S340 VanDerWaalsContact CG2-O 3.31Å; V226-S340 WeakPolarHBondContact CG2-O 3.35Å; V226-S340 PolarHBondContact N-O 2.65Å; V226-I342 HydrophobicContact CG2-CD1 3.93Å; V226-I342 HydrophobicContact CG2-CG1 4.31Å
227	I	93.8	Very high	91.8	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.108	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-51.9	172.4	-68	-76.1	0	0	0	110.8	P225 F229 M230 C231 M239 Y318 L321 L337 E338	P225-I227 PolarHBondContact O-N 3.27Å; I227-F229 VanDerWaalsContact C-N 3.32Å; I227-F229 PolarHBondContact O-N 3.38Å; I227-M230 WeakPolarHBondContact O-CB 3.44Å; I227-M230 PolarHBondContact O-N 3.27Å; I227-M230 VanDerWaalsContact O-N 3.11Å; I227-C231 PolarHBondContact O-N 3.2Å; I227-C231 PolarHBondContact O-SG 2.96Å; I227-M239 HydrophobicContact CG2-CG 3.74Å; I227-M239 HydrophobicContact CG2-SD 4.25Å; I227-Y318 HydrophobicContact CD1-CD2 4.03Å; I227-Y318 HydrophobicContact CD1-CG 4.46Å; I227-L321 HydrophobicContact CD1-CD1 3.44Å; I227-L321 VanDerWaalsContact CD1-CD1 3.44Å; I227-L337 HydrophobicContact CD1-CB 3.73Å; I227-L337 HydrophobicContact CD1-CD1 4.38Å; I227-L337 HydrophobicContact CG1-CB 4.13Å; I227-E338 HydrophobicContact CG1-CB 4.27Å
228	Q	93.1	Very high	91	Very high	98 Å²	98	37.4 Å²	37.4	46%	0.458	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-38.8	178.3	-169	179.6	-0.7	0	0	111.9	Q224 P225 M230 C231 E232	Q224-Q228 VanDerWaalsContact OE1-CG 3.23Å; P225-Q228 PolarHBondContact O-N 3.11Å; Q228-M230 VanDerWaalsContact C-N 3.31Å; Q228-M230 PolarHBondContact O-N 3.44Å; Q228-C231 WeakPolarHBondContact O-CB 3.27Å; Q228-C231 PolarHBondContact O-N 3.2Å; Q228-E232 PolarHBondContact O-N 2.67Å
229	F	94.9	Very high	89.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-42.5	172.9	178.2	-97.3	0	0	0	112	Y221 Q224 P225 V226 I227 E232 V233 F254 E257 I258 L261 I342	Y221-F229 AromaticContact CD1-CE2 3.77Å; Y221-F229 HydrophobicContact CD1-CE2 3.77Å; Y221-F229 HydrophobicContact CD1-CZ 4.33Å; Y221-F229 HydrophobicContact CE1-CE2 4.06Å; Y221-F229 HydrophobicContact CE1-CZ 4.21Å; Q224-F229 HydrophobicContact CG-CB 4.23Å; P225-F229 PolarHBondContact O-N 2.85Å; V226-F229 WeakPolarHBondContact O-CB 3.42Å; V226-F229 PolarHBondContact O-N 3.32Å; I227-F229 VanDerWaalsContact C-N 3.32Å; I227-F229 PolarHBondContact O-N 3.38Å; F229-E232 PolarHBondContact O-N 3.04Å; F229-V233 HydrophobicContact CD1-CG2 4.35Å; F229-V233 HydrophobicContact CE1-CG2 3.88Å; F229-V233 HydrophobicContact CE2-CG2 4.16Å; F229-V233 HydrophobicContact CZ-CG2 3.77Å; F229-V233 VanDerWaalsContact O-CG2 3.29Å; F229-V233 WeakPolarHBondContact O-CG2 3.44Å; F229-V233 PolarHBondContact O-N 2.87Å; F229-V233 VanDerWaalsContact O-N 3.09Å; F229-F254 AromaticContact CD1-CE2 3.92Å; F229-F254 HydrophobicContact CD1-CE2 3.92Å; F229-F254 HydrophobicContact CE1-CE2 4.2Å; F229-E257 HydrophobicContact CE1-CB 4.4Å; F229-E257 HydrophobicContact CZ-CB 4.27Å; F229-I258 HydrophobicContact CD1-CD1 4.25Å; F229-I258 HydrophobicContact CE1-CB 4.02Å; F229-I258 HydrophobicContact CE1-CD1 4.41Å; F229-I258 HydrophobicContact CE1-CG1 4.29Å; F229-L261 HydrophobicContact CE1-CD1 4.43Å; F229-L261 HydrophobicContact CE2-CD1 4.44Å; F229-L261 HydrophobicContact CZ-CD1 3.98Å; F229-I342 HydrophobicContact CB-CG1 4.13Å; F229-I342 HydrophobicContact CD1-CD1 4.33Å; F229-I342 HydrophobicContact CD2-CD1 4.5Å; F229-I342 HydrophobicContact CD2-CG1 4.3Å; F229-I342 HydrophobicContact CG-CD1 4.19Å; F229-I342 HydrophobicContact CG-CG1 4.15Å
230	M	93.6	Very high	88.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-44.5	175.3	-176.1	-173.2	71.6	0	0	111.4	V226 I227 Q228 E232 V233 L234 M239 L246 F254 L321 L337	V226-M230 WeakPolarHBondContact O-CB 3.22Å; V226-M230 PolarHBondContact O-N 3.01Å; I227-M230 WeakPolarHBondContact O-CB 3.44Å; I227-M230 PolarHBondContact O-N 3.27Å; I227-M230 VanDerWaalsContact O-N 3.11Å; Q228-M230 VanDerWaalsContact C-N 3.31Å; Q228-M230 PolarHBondContact O-N 3.44Å; M230-E232 PolarHBondContact O-N 3.34Å; M230-V233 PolarHBondContact O-N 3.41Å; M230-L234 HydrophobicContact CG-CD1 3.7Å; M230-L234 HydrophobicContact CG-CG 4.24Å; M230-L234 WeakPolarHBondContact O-CB 3.17Å; M230-L234 WeakPolarHBondContact O-CG 3.34Å; M230-L234 PolarHBondContact O-N 2.96Å; M230-L234 HydrophobicContact SD-CD1 4.36Å; M230-M239 HydrophobicContact CE-CE 3.83Å; M230-M239 HydrophobicContact CE-SD 3.45Å; M230-M239 WeakPolarHBondContact CE-SD 3.41Å; M230-L246 HydrophobicContact SD-CD1 3.75Å; M230-L246 HydrophobicContact SD-CD2 4.43Å; M230-F254 HydrophobicContact CB-CD2 3.94Å; M230-F254 HydrophobicContact CB-CE2 3.59Å; M230-F254 HydrophobicContact CB-CZ 4.17Å; M230-F254 HydrophobicContact CG-CD2 3.79Å; M230-F254 HydrophobicContact CG-CE2 3.88Å; M230-F254 HydrophobicContact CG-CG 4.21Å; M230-F254 HydrophobicContact CG-CZ 4.37Å; M230-L321 HydrophobicContact CE-CD1 3.88Å; M230-L321 HydrophobicContact CE-CD2 4.12Å; M230-L321 HydrophobicContact SD-CD2 4.49Å; M230-L337 HydrophobicContact SD-CD1 3.74Å
231	C	91.7	Very high	87.2	Confident	19 Å²	19	49.9 Å²	49.9	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-49.6	176.3	-58.8	0	0	0	0	111.8	I227 Q228 V233 L234 D235 I236 M239	I227-C231 PolarHBondContact O-N 3.2Å; I227-C231 PolarHBondContact O-SG 2.96Å; Q228-C231 WeakPolarHBondContact O-CB 3.27Å; Q228-C231 PolarHBondContact O-N 3.2Å; C231-V233 VanDerWaalsContact C-N 3.28Å; C231-V233 PolarHBondContact O-N 2.78Å; C231-L234 PolarHBondContact O-N 2.71Å; C231-D235 WeakPolarHBondContact O-CA 3.37Å; C231-D235 PolarHBondContact O-N 3.41Å; C231-I236 HydrophobicContact CB-CB 4.48Å; C231-I236 WeakPolarHBondContact CB-O 3.42Å; C231-I236 PolarHBondContact O-N 3.02Å; C231-M239 WeakPolarHBondContact SG-CG 3.47Å; C231-M239 PolarHBondContact SG-SD 3.48Å
232	E	91.9	Very high	85.7	Confident	41 Å²	41	51.8 Å²	51.8	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-31.6	179.1	-71.8	-162.1	-160.6	0	0	112.8	G190 G191 K222 Q228 F229 M230	G190-E232 WeakPolarHBondContact CA-O 3.45Å; G190-E232 PolarHBondContact N-O 3.42Å; G191-E232 WeakPolarHBondContact CA-OE2 3.3Å; G191-E232 PolarHBondContact N-OE2 2.89Å; K222-E232 IonicContact NZ-OE1 3.65Å; K222-E232 PolarHBondContact NZ-OE1 2.85Å; K222-E232 IonicContact NZ-OE2 3.35Å; Q228-E232 PolarHBondContact O-N 2.67Å; F229-E232 PolarHBondContact O-N 3.04Å; M230-E232 PolarHBondContact O-N 3.34Å
233	V	91.6	Very high	84.1	Confident	8 Å²	8	55.2 Å²	55.2	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-78.1	-35.8	179.4	166.5	0	0	0	0	112.2	F229 M230 C231 K253 E257	F229-V233 HydrophobicContact CD1-CG2 4.35Å; F229-V233 HydrophobicContact CE1-CG2 3.88Å; F229-V233 HydrophobicContact CE2-CG2 4.16Å; F229-V233 HydrophobicContact CZ-CG2 3.77Å; F229-V233 VanDerWaalsContact O-CG2 3.29Å; F229-V233 WeakPolarHBondContact O-CG2 3.44Å; F229-V233 PolarHBondContact O-N 2.87Å; F229-V233 VanDerWaalsContact O-N 3.09Å; M230-V233 PolarHBondContact O-N 3.41Å; C231-V233 VanDerWaalsContact C-N 3.28Å; C231-V233 PolarHBondContact O-N 2.78Å; V233-K253 VanDerWaalsContact O-CE 3.24Å; V233-K253 WeakPolarHBondContact O-CE 3.47Å; V233-K253 PolarHBondContact O-NZ 2.7Å; V233-E257 HydrophobicContact CG1-CB 3.99Å; V233-E257 HydrophobicContact CG1-CG 3.74Å; V233-E257 HydrophobicContact CG2-CB 4.11Å; V233-E257 HydrophobicContact CG2-CG 4.24Å
234	L	90	Very high	83	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-93.5	-1.6	-177.6	-61.3	-175.7	0	0	0	113.1	M230 C231 I236 L246 H250 K253 F254	M230-L234 HydrophobicContact CG-CD1 3.7Å; M230-L234 HydrophobicContact CG-CG 4.24Å; M230-L234 WeakPolarHBondContact O-CB 3.17Å; M230-L234 WeakPolarHBondContact O-CG 3.34Å; M230-L234 PolarHBondContact O-N 2.96Å; M230-L234 HydrophobicContact SD-CD1 4.36Å; C231-L234 PolarHBondContact O-N 2.71Å; L234-I236 VanDerWaalsContact C-N 3.25Å; L234-I236 HydrophobicContact CB-CD1 3.63Å; L234-I236 HydrophobicContact CB-CG1 3.77Å; L234-I236 HydrophobicContact CD1-CD1 3.81Å; L234-I236 HydrophobicContact CG-CD1 4.36Å; L234-I236 PolarHBondContact O-N 3.18Å; L234-L246 HydrophobicContact CD1-CD2 3.79Å; L234-H250 HydrophobicContact CD1-CB 4.12Å; L234-H250 HydrophobicContact CD2-CB 4.03Å; L234-K253 HydrophobicContact CD2-CB 4.23Å; L234-K253 HydrophobicContact CD2-CD 4.04Å; L234-K253 HydrophobicContact CD2-CG 4.38Å; L234-F254 HydrophobicContact CD2-CB 4.36Å
235	D	86.7	Confident	82.2	Confident	118 Å²	118	64.1 Å²	64.1	63%	0.631	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	40.1	-174.8	-56.8	-57.3	0	0	0	111.8	C231 K253	C231-D235 WeakPolarHBondContact O-CA 3.37Å; C231-D235 PolarHBondContact O-N 3.41Å; D235-K253 IonicContact OD2-NZ 3.5Å
236	I	84.6	Confident	81.6	Confident	22 Å²	22	62 Å²	62	11%	0.113	31%	0.31	C	S	.	.			trans	-91.1	120.2	176.6	-61.1	166.8	0	0	0	108.1	C231 L234 N238	C231-I236 HydrophobicContact CB-CB 4.48Å; C231-I236 WeakPolarHBondContact CB-O 3.42Å; C231-I236 PolarHBondContact O-N 3.02Å; L234-I236 VanDerWaalsContact C-N 3.25Å; L234-I236 HydrophobicContact CB-CD1 3.63Å; L234-I236 HydrophobicContact CB-CG1 3.77Å; L234-I236 HydrophobicContact CD1-CD1 3.81Å; L234-I236 HydrophobicContact CG-CD1 4.36Å; L234-I236 PolarHBondContact O-N 3.18Å; I236-N238 WeakPolarHBondContact CG2-O 3.41Å
237	H	76.5	Confident	81.1	Confident	191 Å²	191	64.8 Å²	64.8	88%	0.884	33%	0.328	S	S	*	.	S	Bend	trans	-79	-37	-178.1	-66.7	-62	0	0	0	113.2
238	N	73.1	Confident	80.8	Confident	66 Å²	66	67.4 Å²	67.4	35%	0.353	34%	0.342	S	S	.	.			trans	-135.5	125.9	178.9	-168.9	-5.1	0	0	0	110.6	I236 D240 E241	I236-N238 WeakPolarHBondContact CG2-O 3.41Å; N238-D240 VanDerWaalsContact C-N 3.28Å; N238-D240 PolarHBondContact O-N 2.87Å; N238-D240 PolarHBondContact OD1-N 3.04Å; N238-E241 HydrophobicContact CB-CB 4.47Å; N238-E241 HydrophobicContact CB-CG 4.03Å
239	M	69.9	Low	80.6	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.079	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-68	-29.8	176.6	-83.8	-57.5	-33.2	0	0	112.7	I227 M230 C231 E241 Q242 Y318 L321	I227-M239 HydrophobicContact CG2-CG 3.74Å; I227-M239 HydrophobicContact CG2-SD 4.25Å; M230-M239 HydrophobicContact CE-CE 3.83Å; M230-M239 HydrophobicContact CE-SD 3.45Å; M230-M239 WeakPolarHBondContact CE-SD 3.41Å; C231-M239 WeakPolarHBondContact SG-CG 3.47Å; C231-M239 PolarHBondContact SG-SD 3.48Å; M239-E241 PolarHBondContact O-N 3.35Å; M239-Q242 HydrophobicContact CE-CB 4.38Å; M239-Q242 PolarHBondContact O-N 3.36Å; M239-Q242 VanDerWaalsContact O-N 3.12Å; M239-Y318 HydrophobicContact CB-CE1 4.33Å; M239-L321 HydrophobicContact CE-CD1 4.12Å
240	D	67.9	Low	80.3	Confident	118 Å²	118	69.7 Å²	69.7	63%	0.631	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-74.2	-13.9	-175.2	-60.1	-27.8	0	0	0	112	N238 Q242	N238-D240 VanDerWaalsContact C-N 3.28Å; N238-D240 PolarHBondContact O-N 2.87Å; N238-D240 PolarHBondContact OD1-N 3.04Å; D240-Q242 VanDerWaalsContact C-N 3.31Å
241	E	63.2	Low	80.2	Confident	148 Å²	148	71.7 Å²	71.7	69%	0.692	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-83	-4.2	172.5	-69	177.2	-169.2	0	0	113.3	N238 M239 P243	N238-E241 HydrophobicContact CB-CB 4.47Å; N238-E241 HydrophobicContact CB-CG 4.03Å; M239-E241 PolarHBondContact O-N 3.35Å; E241-P243 WeakPolarHBondContact O-CD 3.35Å
242	Q	63.2	Low	80.2	Confident	45 Å²	45	73.5 Å²	73.5	21%	0.21	38%	0.38	C	S	.	.			trans	-113.1	64.8	-175.7	-162.4	114.5	20.9	0	0	112.6	M239 D240 R244 H320	M239-Q242 HydrophobicContact CE-CB 4.38Å; M239-Q242 PolarHBondContact O-N 3.36Å; M239-Q242 VanDerWaalsContact O-N 3.12Å; D240-Q242 VanDerWaalsContact C-N 3.31Å; Q242-R244 PolarHBondContact O-N 3.48Å; Q242-H320 PolarHBondContact O-NE2 2.96Å
243	P	60.7	Low	80.2	Confident	101 Å²	101	76 Å²	76	66%	0.656	39%	0.39	S	S	*	.			trans	-74.7	5.4	-174.8	31.7	-36.9	0	0	0	114.4	E241	E241-P243 WeakPolarHBondContact O-CD 3.35Å
244	R	70.9	Confident	80.3	Confident	204 Å²	204	75.6 Å²	75.6	77%	0.77	39%	0.388	S	S	*	.	S	Bend	trans	-117.9	156.9	-174.2	-64.9	-174.9	-177.4	-177.2	1.5	111.3	Q242	Q242-R244 PolarHBondContact O-N 3.48Å
245	S	77	Confident	80.4	Confident	61 Å²	61	75.8 Å²	75.8	43%	0.427	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-55.4	149.4	172.1	-172.3	0	0	0	0	111.6
246	L	83.2	Confident	80.6	Confident	11 Å²	11	77.2 Å²	77.2	6%	0.058	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-65.5	131	179.9	-68.1	171	0	0	0	110.9	M230 L234 H250 R251 L321 P322	M230-L246 HydrophobicContact SD-CD1 3.75Å; M230-L246 HydrophobicContact SD-CD2 4.43Å; L234-L246 HydrophobicContact CD1-CD2 3.79Å; L246-H250 HydrophobicContact CD2-CB 4.45Å; L246-R251 HydrophobicContact CB-CB 4.48Å; L246-L321 HydrophobicContact CD1-CD2 4.41Å; L246-L321 HydrophobicContact CG-CD2 4.14Å; L246-P322 HydrophobicContact CD1-CG 3.93Å
247	P	86.8	Confident	81	Confident	60 Å²	60	78.3 Å²	78.3	39%	0.39	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-54.9	149.9	168.5	-23.9	32.7	0	0	0	111.5	S249 H250 R251	P247-S249 PolarHBondContact O-N 2.87Å; P247-S249 VanDerWaalsContact O-N 3.14Å; P247-H250 PolarHBondContact O-N 2.91Å; P247-R251 PolarHBondContact O-N 3.4Å
248	D	87	Confident	81.8	Confident	75 Å²	75	69.2 Å²	69.2	40%	0.401	35%	0.352	S	S	.	.	H	α-helix	trans	-57.4	-34.5	-177.9	-92	-37.7	0	0	0	112.5	R251 V252 R282	D248-R251 PolarHBondContact O-N 3.27Å; D248-R251 IonicContact OD1-CZ 2.67Å; D248-R251 IonicContact OD1-NE 3.75Å; D248-R251 PolarHBondContact OD1-NE 3.43Å; D248-R251 IonicContact OD1-NH2 3.95Å; D248-R251 PolarHBondContact OD1-NH2 2.83Å; D248-V252 WeakPolarHBondContact O-CB 3.46Å; D248-V252 WeakPolarHBondContact O-CG2 3.45Å; D248-V252 PolarHBondContact O-N 2.9Å; D248-R282 IonicContact OD2-NH2 3.65Å; D248-R282 PolarHBondContact OD2-NH2 2.82Å
249	S	87.4	Confident	82.7	Confident	82 Å²	82	70.2 Å²	70.2	57%	0.573	35%	0.354	S	S	*	.	H	α-helix	trans	-61	-46.1	174.1	58.8	0	0	0	0	112.9	P247 V252 K253	P247-S249 PolarHBondContact O-N 2.87Å; P247-S249 VanDerWaalsContact O-N 3.14Å; S249-V252 PolarHBondContact O-N 3.03Å; S249-K253 WeakPolarHBondContact O-CB 3.32Å; S249-K253 PolarHBondContact O-N 2.65Å
250	H	89.6	Confident	83.7	Confident	64 Å²	64	70.9 Å²	70.9	30%	0.296	37%	0.365	S	S	.	.	H	α-helix	trans	-68.1	-44.1	177.8	-75.4	-161	0	0	0	111	L234 L246 P247 V252 K253 F254	L234-H250 HydrophobicContact CD1-CB 4.12Å; L234-H250 HydrophobicContact CD2-CB 4.03Å; L246-H250 HydrophobicContact CD2-CB 4.45Å; P247-H250 PolarHBondContact O-N 2.91Å; H250-V252 VanDerWaalsContact C-N 3.33Å; H250-V252 PolarHBondContact O-N 2.82Å; H250-K253 PolarHBondContact O-N 2.93Å; H250-F254 WeakPolarHBondContact O-CB 3.24Å; H250-F254 PolarHBondContact O-N 2.98Å
251	R	92.3	Very high	85	Confident	43 Å²	43	65.9 Å²	65.9	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175.9	-174.4	-175.7	61.4	76.4	2.6	111	L246 P247 D248 F254 T255 V280 T281	L246-R251 HydrophobicContact CB-CB 4.48Å; P247-R251 PolarHBondContact O-N 3.4Å; D248-R251 PolarHBondContact O-N 3.27Å; D248-R251 IonicContact OD1-CZ 2.67Å; D248-R251 IonicContact OD1-NE 3.75Å; D248-R251 PolarHBondContact OD1-NE 3.43Å; D248-R251 IonicContact OD1-NH2 3.95Å; D248-R251 PolarHBondContact OD1-NH2 2.83Å; R251-F254 PolarHBondContact O-N 3.4Å; R251-T255 VanDerWaalsContact O-CB 3.29Å; R251-T255 WeakPolarHBondContact O-CB 3.27Å; R251-T255 PolarHBondContact O-N 2.96Å; R251-T255 PolarHBondContact O-OG1 3.5Å; R251-V280 HydrophobicContact CG-CG1 4.46Å; R251-T281 WeakPolarHBondContact CD-O 3.47Å
252	V	91.2	Very high	86.5	Confident	56 Å²	56	62.8 Å²	62.8	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-42.2	177.4	170.3	0	0	0	0	111.3	D248 S249 H250 T255 K256	D248-V252 WeakPolarHBondContact O-CB 3.46Å; D248-V252 WeakPolarHBondContact O-CG2 3.45Å; D248-V252 PolarHBondContact O-N 2.9Å; S249-V252 PolarHBondContact O-N 3.03Å; H250-V252 VanDerWaalsContact C-N 3.33Å; H250-V252 PolarHBondContact O-N 2.82Å; V252-T255 PolarHBondContact O-N 3.18Å; V252-K256 HydrophobicContact CG1-CD 4.24Å; V252-K256 WeakPolarHBondContact O-CB 3.42Å; V252-K256 VanDerWaalsContact O-CG 3.3Å; V252-K256 WeakPolarHBondContact O-CG 3.14Å; V252-K256 PolarHBondContact O-N 3.08Å
253	K	90.8	Very high	88	Confident	94 Å²	94	60.6 Å²	60.6	41%	0.409	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-49.3	175.1	-171.5	-175.6	-179.3	-157.9	0	111.1	V233 L234 D235 S249 H250 K256 E257	V233-K253 VanDerWaalsContact O-CE 3.24Å; V233-K253 WeakPolarHBondContact O-CE 3.47Å; V233-K253 PolarHBondContact O-NZ 2.7Å; L234-K253 HydrophobicContact CD2-CB 4.23Å; L234-K253 HydrophobicContact CD2-CD 4.04Å; L234-K253 HydrophobicContact CD2-CG 4.38Å; D235-K253 IonicContact OD2-NZ 3.5Å; S249-K253 WeakPolarHBondContact O-CB 3.32Å; S249-K253 PolarHBondContact O-N 2.65Å; H250-K253 PolarHBondContact O-N 2.93Å; K253-K256 PolarHBondContact O-N 3.06Å; K253-E257 PolarHBondContact O-N 3.04Å
254	F	94	Very high	89.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-46.5	177.3	175.5	-116.1	0	0	0	112.3	V226 F229 M230 L234 H250 R251 K256 E257 I258 V280 L324 L337	V226-F254 HydrophobicContact CG1-CZ 3.97Å; F229-F254 AromaticContact CD1-CE2 3.92Å; F229-F254 HydrophobicContact CD1-CE2 3.92Å; F229-F254 HydrophobicContact CE1-CE2 4.2Å; M230-F254 HydrophobicContact CB-CD2 3.94Å; M230-F254 HydrophobicContact CB-CE2 3.59Å; M230-F254 HydrophobicContact CB-CZ 4.17Å; M230-F254 HydrophobicContact CG-CD2 3.79Å; M230-F254 HydrophobicContact CG-CE2 3.88Å; M230-F254 HydrophobicContact CG-CG 4.21Å; M230-F254 HydrophobicContact CG-CZ 4.37Å; L234-F254 HydrophobicContact CD2-CB 4.36Å; H250-F254 WeakPolarHBondContact O-CB 3.24Å; H250-F254 PolarHBondContact O-N 2.98Å; R251-F254 PolarHBondContact O-N 3.4Å; F254-K256 VanDerWaalsContact C-N 3.3Å; F254-K256 PolarHBondContact O-N 2.98Å; F254-E257 WeakPolarHBondContact O-CA 3.46Å; F254-E257 PolarHBondContact O-N 3.21Å; F254-I258 HydrophobicContact CD1-CG2 4.33Å; F254-I258 HydrophobicContact CE1-CD1 4.43Å; F254-I258 HydrophobicContact CE1-CG2 4.01Å; F254-I258 HydrophobicContact CE2-CB 4.21Å; F254-I258 HydrophobicContact CE2-CD1 3.98Å; F254-I258 HydrophobicContact CE2-CG2 4.34Å; F254-I258 HydrophobicContact CZ-CB 4.23Å; F254-I258 HydrophobicContact CZ-CD1 3.57Å; F254-I258 HydrophobicContact CZ-CG2 4.02Å; F254-I258 WeakPolarHBondContact O-CG2 3.42Å; F254-I258 PolarHBondContact O-N 3.24Å; F254-V280 HydrophobicContact CD1-CG1 4.18Å; F254-V280 HydrophobicContact CD1-CG2 4.05Å; F254-V280 HydrophobicContact CE1-CG1 4.24Å; F254-V280 HydrophobicContact CE1-CG2 3.97Å; F254-L324 HydrophobicContact CE1-CD2 4.28Å; F254-L324 HydrophobicContact CZ-CD2 4.4Å; F254-L337 HydrophobicContact CE1-CD1 4.35Å; F254-L337 HydrophobicContact CE1-CD2 4.24Å; F254-L337 HydrophobicContact CZ-CD1 4.43Å; F254-L337 HydrophobicContact CZ-CD2 4.35Å
255	T	93.8	Very high	90.6	Very high	17 Å²	17	47.2 Å²	47.2	10%	0.104	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-45.4	177.3	-54.9	0	0	0	0	110.9	R251 V252 E257 K259 V280	R251-T255 VanDerWaalsContact O-CB 3.29Å; R251-T255 WeakPolarHBondContact O-CB 3.27Å; R251-T255 PolarHBondContact O-N 2.96Å; R251-T255 PolarHBondContact O-OG1 3.5Å; V252-T255 PolarHBondContact O-N 3.18Å; T255-E257 PolarHBondContact O-N 3.18Å; T255-K259 WeakPolarHBondContact O-CB 3.24Å; T255-K259 PolarHBondContact O-N 3.3Å; T255-V280 HydrophobicContact CG2-CB 4.26Å; T255-V280 HydrophobicContact CG2-CG2 4.17Å; T255-V280 WeakPolarHBondContact OG1-CB 3.47Å
256	K	89.8	Confident	91.2	Very high	147 Å²	147	47.1 Å²	47.1	64%	0.639	25%	0.246	S	C	*	.	H	α-helix	trans	-59.6	-30.7	176.7	-78.5	177.3	-178.8	177.8	0	112.2	V252 K253 F254 K350	V252-K256 HydrophobicContact CG1-CD 4.24Å; V252-K256 WeakPolarHBondContact O-CB 3.42Å; V252-K256 VanDerWaalsContact O-CG 3.3Å; V252-K256 WeakPolarHBondContact O-CG 3.14Å; V252-K256 PolarHBondContact O-N 3.08Å; K253-K256 PolarHBondContact O-N 3.06Å; F254-K256 VanDerWaalsContact C-N 3.3Å; F254-K256 PolarHBondContact O-N 2.98Å; K256-K350 PolarHBondContact O-NZ 2.9Å
257	E	92.5	Very high	91.3	Very high	45 Å²	45	48.2 Å²	48.2	21%	0.21	25%	0.251	C	S	.	.	H	α-helix	trans	-85.8	-43.5	-179.6	-73.5	-60.1	157	0	0	113.7	R192 F229 V233 K253 F254 T255 K350	R192-E257 IonicContact CZ-OE2 3.66Å; R192-E257 IonicContact NH2-OE1 3.56Å; R192-E257 PolarHBondContact NH2-OE1 3.35Å; R192-E257 VanDerWaalsContact NH2-OE1 3.1Å; R192-E257 IonicContact NH2-OE2 2.76Å; R192-E257 PolarHBondContact NH2-OE2 3.04Å; F229-E257 HydrophobicContact CE1-CB 4.4Å; F229-E257 HydrophobicContact CZ-CB 4.27Å; V233-E257 HydrophobicContact CG1-CB 3.99Å; V233-E257 HydrophobicContact CG1-CG 3.74Å; V233-E257 HydrophobicContact CG2-CB 4.11Å; V233-E257 HydrophobicContact CG2-CG 4.24Å; K253-E257 PolarHBondContact O-N 3.04Å; F254-E257 WeakPolarHBondContact O-CA 3.46Å; F254-E257 PolarHBondContact O-N 3.21Å; T255-E257 PolarHBondContact O-N 3.18Å; E257-K350 VanDerWaalsContact C-NZ 3.32Å; E257-K350 PolarHBondContact O-NZ 2.85Å
258	I	94.7	Very high	91	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-85.3	-25	-176.2	-160.8	160.8	0	0	0	114.3	V226 F229 F254 G260 L261 V277 V280 L324 I342	V226-I258 HydrophobicContact CG1-CD1 3.61Å; V226-I258 HydrophobicContact CG2-CD1 4.23Å; F229-I258 HydrophobicContact CD1-CD1 4.25Å; F229-I258 HydrophobicContact CE1-CB 4.02Å; F229-I258 HydrophobicContact CE1-CD1 4.41Å; F229-I258 HydrophobicContact CE1-CG1 4.29Å; F254-I258 HydrophobicContact CD1-CG2 4.33Å; F254-I258 HydrophobicContact CE1-CD1 4.43Å; F254-I258 HydrophobicContact CE1-CG2 4.01Å; F254-I258 HydrophobicContact CE2-CB 4.21Å; F254-I258 HydrophobicContact CE2-CD1 3.98Å; F254-I258 HydrophobicContact CE2-CG2 4.34Å; F254-I258 HydrophobicContact CZ-CB 4.23Å; F254-I258 HydrophobicContact CZ-CD1 3.57Å; F254-I258 HydrophobicContact CZ-CG2 4.02Å; F254-I258 WeakPolarHBondContact O-CG2 3.42Å; F254-I258 PolarHBondContact O-N 3.24Å; I258-G260 PolarHBondContact O-N 3.34Å; I258-L261 HydrophobicContact CG1-CD1 4.48Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 WeakPolarHBondContact O-CG 3.41Å; I258-L261 PolarHBondContact O-N 3.17Å; I258-V277 HydrophobicContact CG1-CG1 4.49Å; I258-V277 HydrophobicContact CG1-CG2 4.3Å; I258-V277 HydrophobicContact CG2-CG1 4.28Å; I258-V280 HydrophobicContact CG2-CG2 3.59Å; I258-L324 HydrophobicContact CD1-CD1 4.18Å; I258-L324 HydrophobicContact CD1-CD2 3.75Å; I258-L324 HydrophobicContact CG2-CD2 4.39Å; I258-I342 HydrophobicContact CD1-CD1 4.36Å
259	K	92.1	Very high	90.4	Very high	88 Å²	88	46.5 Å²	46.5	38%	0.383	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	128.7	179	-179.5	167.9	178.6	135.1	0	110.5	T255 C278 E329 K350	T255-K259 WeakPolarHBondContact O-CB 3.24Å; T255-K259 PolarHBondContact O-N 3.3Å; K259-C278 WeakPolarHBondContact CD-O 3.2Å; K259-C278 WeakPolarHBondContact CE-O 3.4Å; K259-C278 WeakPolarHBondContact CG-O 3.46Å; K259-C278 PolarHBondContact NZ-O 3.03Å; K259-E329 IonicContact NZ-OE1 2.69Å; K259-E329 PolarHBondContact NZ-OE1 3.15Å; K259-K350 PolarHBondContact O-NZ 3.48Å
260	G	90.8	Very high	89.3	Confident	30 Å²	30	48.7 Å²	48.7	31%	0.309	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-12.4	-177.9	0	0	0	0	0	114.9	I258 R276 V277	I258-G260 PolarHBondContact O-N 3.34Å; G260-R276 PolarHBondContact O-NH1 2.82Å; G260-V277 WeakPolarHBondContact CA-O 3.49Å; G260-V277 PolarHBondContact N-O 2.95Å
261	L	94.4	Very high	88.3	Confident	13 Å²	13	49.4 Å²	49.4	7%	0.068	28%	0.276	C	S	.	.			trans	-75.6	153.2	176.6	-56.8	-172.9	0	0	0	111.4	Y221 F229 I258 V277 I342	Y221-L261 HydrophobicContact CD1-CD1 3.98Å; Y221-L261 HydrophobicContact CD2-CD1 4.31Å; Y221-L261 HydrophobicContact CD2-CD2 3.65Å; Y221-L261 HydrophobicContact CE1-CD1 3.89Å; Y221-L261 HydrophobicContact CE1-CD2 4.38Å; Y221-L261 HydrophobicContact CE2-CD1 4.26Å; Y221-L261 HydrophobicContact CE2-CD2 3.3Å; Y221-L261 HydrophobicContact CE2-CG 4.42Å; Y221-L261 HydrophobicContact CG-CD1 4.17Å; Y221-L261 HydrophobicContact CG-CD2 4.33Å; F229-L261 HydrophobicContact CE1-CD1 4.43Å; F229-L261 HydrophobicContact CE2-CD1 4.44Å; F229-L261 HydrophobicContact CZ-CD1 3.98Å; I258-L261 HydrophobicContact CG1-CD1 4.48Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 WeakPolarHBondContact O-CG 3.41Å; I258-L261 PolarHBondContact O-N 3.17Å; L261-V277 PolarHBondContact O-N 3.47Å; L261-I342 HydrophobicContact CD1-CD1 4.31Å
262	K	94.4	Very high	87.4	Confident	82 Å²	82	54.1 Å²	54.1	36%	0.357	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.9	171.4	-66.5	-179.4	-89.2	171.1	0	110.2	Y275 R276 V343 Q346	K262-Y275 CarbonylContact C-O 3.56Å; K262-Y275 WeakPolarHBondContact CA-O 3.46Å; K262-R276 HydrophobicContact CG-CB 4.36Å; K262-V343 HydrophobicContact CB-CB 4.21Å; K262-V343 HydrophobicContact CB-CG2 4.07Å; K262-V343 PolarHBondContact O-N 2.88Å; K262-V343 VanDerWaalsContact O-N 3.11Å; K262-Q346 VanDerWaalsContact CB-OE1 3.28Å; K262-Q346 PolarHBondContact O-NE2 2.88Å
263	V	95.4	Very high	87	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.7	175.5	-64.7	0	0	0	0	109.8	V226 K274 Y275 V277 L324 V326 L335 N341 I342	V226-V263 HydrophobicContact CG2-CG1 3.86Å; V263-K274 CarbonylContact O-C 3.59Å; V263-K274 WeakPolarHBondContact O-CA 3.37Å; V263-Y275 PolarHBondContact N-O 3.45Å; V263-Y275 PolarHBondContact O-N 2.84Å; V263-V277 HydrophobicContact CB-CG2 4.5Å; V263-V277 HydrophobicContact CG1-CG2 3.81Å; V263-V277 HydrophobicContact CG2-CG2 3.87Å; V263-L324 HydrophobicContact CG1-CD1 4.06Å; V263-L324 HydrophobicContact CG2-CD1 4.18Å; V263-V326 HydrophobicContact CG2-CG1 4.36Å; V263-L335 HydrophobicContact CG2-CD1 4.5Å; V263-N341 CarbonylContact C-O 3.28Å; V263-N341 WeakPolarHBondContact CA-O 3.32Å; V263-N341 WeakPolarHBondContact CB-O 3.35Å; V263-I342 HydrophobicContact CG1-CD1 4.12Å
264	E	93.6	Very high	87	Confident	20 Å²	20	57.8 Å²	57.8	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.5	170.6	63.4	-179.3	-144.4	0	0	110.5	R272 R273 K274 S340 N341 V343	E264-R272 IonicContact OE1-CZ 3.4Å; E264-R272 IonicContact OE1-NH1 3.14Å; E264-R272 PolarHBondContact OE1-NH1 3.1Å; E264-R273 WeakPolarHBondContact CA-O 3.47Å; E264-K274 HydrophobicContact CB-CG 4.16Å; E264-S340 WeakPolarHBondContact O-CA 3.47Å; E264-N341 HydrophobicContact CG-CB 3.92Å; E264-N341 PolarHBondContact N-O 2.98Å; E264-N341 PolarHBondContact O-N 3.14Å; E264-V343 HydrophobicContact CB-CG2 4Å; E264-V343 HydrophobicContact CG-CG2 4.3Å
265	V	92.4	Very high	86.8	Confident	3 Å²	3	60 Å²	60	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.2	179.4	-64	0	0	0	0	111.8	R273 Y275 L335 V339	V265-R273 HydrophobicContact CG2-CB 3.98Å; V265-R273 PolarHBondContact N-O 3.33Å; V265-R273 VanDerWaalsContact N-O 3.12Å; V265-Y275 HydrophobicContact CG1-CD2 4.04Å; V265-Y275 HydrophobicContact CG1-CE2 3.87Å; V265-L335 HydrophobicContact CG1-CD1 3.73Å; V265-L335 HydrophobicContact CG1-CD2 4.03Å; V265-V339 WeakPolarHBondContact CA-O 3.24Å
266	T	89.8	Confident	86.8	Confident	59 Å²	59	65.8 Å²	65.8	36%	0.362	33%	0.33	S	S	.	.	S	Bend	trans	-109.4	-11.4	-179.2	55.5	0	0	0	0	114.1	V339 N341	T266-V339 PolarHBondContact N-O 2.85Å; T266-V339 WeakPolarHBondContact OG1-CA 3.45Å; T266-V339 PolarHBondContact OG1-O 3.04Å; T266-N341 VanDerWaalsContact CG2-ND2 3.34Å; T266-N341 WeakPolarHBondContact CG2-ND2 3.48Å
267	H	84.8	Confident	87.1	Confident	34 Å²	34	58.8 Å²	58.8	16%	0.157	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.1	-173.3	63.4	-83	0	0	0	114.9	F308 Y312 L314 V339	H267-F308 HydrophobicContact CB-CE1 4.44Å; H267-F308 AromaticContact CD2-CE1 3.67Å; H267-F308 AromaticContact CE1-CE1 3.78Å; H267-F308 AromaticContact CE1-CZ 3.93Å; H267-F308 AromaticContact CG-CE1 3.75Å; H267-F308 AromaticContact ND1-CE1 3.81Å; H267-F308 AromaticContact NE2-CE1 3.7Å; H267-F308 AromaticContact NE2-CZ 3.92Å; H267-Y312 AromaticContact CD2-CD1 3.93Å; H267-Y312 AromaticContact CD2-CD2 3.92Å; H267-Y312 AromaticContact CD2-CE1 3.85Å; H267-Y312 AromaticContact CD2-CE2 3.84Å; H267-Y312 AromaticContact CD2-CG 3.98Å; H267-Y312 AromaticContact CD2-CZ 3.81Å; H267-Y312 AromaticContact NE2-CE2 3.95Å; H267-Y312 AromaticContact NE2-CZ 3.88Å; H267-L314 HydrophobicContact CB-CD1 3.95Å; H267-V339 HydrophobicContact CB-CB 4.28Å; H267-V339 HydrophobicContact CB-CG1 4.19Å
268	C	81.6	Confident	87.1	Confident	37 Å²	37	57.2 Å²	57.2	25%	0.25	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	31.1	-178	-58.5	0	0	0	0	113.4	S270 M271	C268-S270 PolarHBondContact O-N 2.79Å; C268-M271 HydrophobicContact CB-CB 4.13Å; C268-M271 HydrophobicContact CB-CE 4.19Å; C268-M271 WeakPolarHBondContact CB-O 3.41Å; C268-M271 WeakPolarHBondContact O-CB 3.39Å; C268-M271 PolarHBondContact O-N 3.4Å
269	G	73.7	Confident	87.1	Confident	63 Å²	63	60 Å²	60	65%	0.649	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-123.8	177.7	0	0	0	0	0	113.1	M271	G269-M271 PolarHBondContact O-N 3.22Å
270	S	64.7	Low	87.3	Confident	128 Å²	128	56 Å²	56	90%	0.895	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.5	177.4	55.8	0	0	0	0	113.5	C268 R272	C268-S270 PolarHBondContact O-N 2.79Å; S270-R272 PolarHBondContact O-N 3.33Å
271	M	67.3	Low	87.5	Confident	79 Å²	79	55 Å²	55	39%	0.389	28%	0.279	S	S	.	.			trans	-87.1	94.8	-177.4	-170.1	166.3	66.6	0	0	111.7	G110 C268 G269 R273	G110-M271 WeakPolarHBondContact CA-SD 3.28Å; C268-M271 HydrophobicContact CB-CB 4.13Å; C268-M271 HydrophobicContact CB-CE 4.19Å; C268-M271 WeakPolarHBondContact CB-O 3.41Å; C268-M271 WeakPolarHBondContact O-CB 3.39Å; C268-M271 PolarHBondContact O-N 3.4Å; G269-M271 PolarHBondContact O-N 3.22Å; M271-R273 PolarHBondContact O-N 3.4Å
272	R	74	Confident	87.4	Confident	141 Å²	141	62.9 Å²	62.9	53%	0.532	31%	0.308	S	S	.	.			trans	-92	71.6	178.2	-65	-166.4	177.9	-163.1	7.6	112.8	E264 S270 K274	E264-R272 IonicContact OE1-CZ 3.4Å; E264-R272 IonicContact OE1-NH1 3.14Å; E264-R272 PolarHBondContact OE1-NH1 3.1Å; S270-R272 PolarHBondContact O-N 3.33Å; R272-K274 PolarHBondContact O-N 2.84Å
273	R	83.4	Confident	87.4	Confident	135 Å²	135	65.9 Å²	65.9	51%	0.509	32%	0.317	S	S	.	.			trans	-67	131.8	-179.3	-171.8	167	175.7	-169	4.3	111.6	E264 V265 M271 Y275	E264-R273 WeakPolarHBondContact CA-O 3.47Å; V265-R273 HydrophobicContact CG2-CB 3.98Å; V265-R273 PolarHBondContact N-O 3.33Å; V265-R273 VanDerWaalsContact N-O 3.12Å; M271-R273 PolarHBondContact O-N 3.4Å; R273-Y275 HydrophobicContact CB-CE2 4.08Å; R273-Y275 WeakPolarHBondContact CD-OH 3.44Å; R273-Y275 HydrophobicContact CG-CD2 4.42Å; R273-Y275 HydrophobicContact CG-CE2 3.74Å; R273-Y275 VanDerWaalsContact CZ-OH 3.22Å; R273-Y275 PolarHBondContact NE-OH 3.35Å; R273-Y275 PolarHBondContact NH1-OH 2.97Å; R273-Y275 VanDerWaalsContact NH1-OH 3.11Å
274	K	89.6	Confident	87.3	Confident	93 Å²	93	66.7 Å²	66.7	40%	0.404	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139	178.2	-65	173.5	-173.2	129.6	0	112.7	E109 V263 E264 R272 V343	E109-K274 WeakPolarHBondContact OE1-CD 3.38Å; E109-K274 WeakPolarHBondContact OE1-CE 3.47Å; E109-K274 IonicContact OE1-NZ 2.85Å; E109-K274 PolarHBondContact OE1-NZ 3.23Å; E109-K274 PolarHBondContact OE2-N 3.3Å; V263-K274 CarbonylContact O-C 3.59Å; V263-K274 WeakPolarHBondContact O-CA 3.37Å; E264-K274 HydrophobicContact CB-CG 4.16Å; R272-K274 PolarHBondContact O-N 2.84Å; K274-V343 HydrophobicContact CD-CG1 4.27Å; K274-V343 HydrophobicContact CD-CG2 4.29Å; K274-V343 HydrophobicContact CG-CG2 4.06Å
275	Y	91.4	Very high	87.4	Confident	46 Å²	46	65.9 Å²	65.9	18%	0.18	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.9	176.2	-64.7	-84.2	0	0	0	111.6	K262 V263 V265 R273 V326 L335	K262-Y275 CarbonylContact C-O 3.56Å; K262-Y275 WeakPolarHBondContact CA-O 3.46Å; V263-Y275 PolarHBondContact N-O 3.45Å; V263-Y275 PolarHBondContact O-N 2.84Å; V265-Y275 HydrophobicContact CG1-CD2 4.04Å; V265-Y275 HydrophobicContact CG1-CE2 3.87Å; R273-Y275 HydrophobicContact CB-CE2 4.08Å; R273-Y275 WeakPolarHBondContact CD-OH 3.44Å; R273-Y275 HydrophobicContact CG-CD2 4.42Å; R273-Y275 HydrophobicContact CG-CE2 3.74Å; R273-Y275 VanDerWaalsContact CZ-OH 3.22Å; R273-Y275 PolarHBondContact NE-OH 3.35Å; R273-Y275 PolarHBondContact NH1-OH 2.97Å; R273-Y275 VanDerWaalsContact NH1-OH 3.11Å; Y275-V326 HydrophobicContact CD1-CB 4.42Å; Y275-V326 HydrophobicContact CD1-CG2 3.79Å; Y275-V326 HydrophobicContact CE1-CG2 4.43Å; Y275-V326 HydrophobicContact CG-CB 4.3Å; Y275-V326 HydrophobicContact CG-CG2 3.84Å; Y275-L335 HydrophobicContact CD2-CD1 3.92Å; Y275-L335 HydrophobicContact CE2-CD1 4.36Å; Y275-L335 HydrophobicContact CG-CD1 4.42Å
276	R	93.1	Very high	87.4	Confident	138 Å²	138	68.1 Å²	68.1	52%	0.521	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.3	169.2	-172.1	178.9	-63.2	-88.8	6.9	109.8	G260 K262 C278 V326 G327	G260-R276 PolarHBondContact O-NH1 2.82Å; K262-R276 HydrophobicContact CG-CB 4.36Å; R276-C278 PolarHBondContact O-N 3.34Å; R276-V326 WeakPolarHBondContact O-CA 3.33Å; R276-G327 PolarHBondContact O-N 3.2Å; R276-G327 VanDerWaalsContact O-N 3.08Å
277	V	94.8	Very high	87.7	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.9	176.5	-175.6	0	0	0	0	109.6	I258 G260 L261 V263 N279 L324 V326	I258-V277 HydrophobicContact CG1-CG1 4.49Å; I258-V277 HydrophobicContact CG1-CG2 4.3Å; I258-V277 HydrophobicContact CG2-CG1 4.28Å; G260-V277 WeakPolarHBondContact CA-O 3.49Å; G260-V277 PolarHBondContact N-O 2.95Å; L261-V277 PolarHBondContact O-N 3.47Å; V263-V277 HydrophobicContact CB-CG2 4.5Å; V263-V277 HydrophobicContact CG1-CG2 3.81Å; V263-V277 HydrophobicContact CG2-CG2 3.87Å; V277-N279 WeakPolarHBondContact CG1-O 3.23Å; V277-L324 HydrophobicContact CG1-CB 4.37Å; V277-L324 HydrophobicContact CG1-CD2 4.26Å; V277-L324 HydrophobicContact CG2-CB 4.44Å; V277-L324 HydrophobicContact CG2-CD1 3.93Å; V277-V326 HydrophobicContact CG2-CG1 4.21Å
278	C	93.5	Very high	88.2	Confident	12 Å²	12	70 Å²	70	8%	0.081	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-28.4	176.4	63	0	0	0	0	112.1	K259 R276 Q325 E329	K259-C278 WeakPolarHBondContact CD-O 3.2Å; K259-C278 WeakPolarHBondContact CE-O 3.4Å; K259-C278 WeakPolarHBondContact CG-O 3.46Å; K259-C278 PolarHBondContact NZ-O 3.03Å; R276-C278 PolarHBondContact O-N 3.34Å; C278-Q325 PolarHBondContact N-O 3.34Å; C278-Q325 VanDerWaalsContact SG-C 3.54Å; C278-Q325 PolarHBondContact SG-O 3.03Å; C278-E329 HydrophobicContact CB-CG 3.44Å; C278-E329 VanDerWaalsContact CB-CG 3.44Å
279	N	95.1	Very high	88.9	Confident	58 Å²	58	70 Å²	70	31%	0.31	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	175.1	176.4	-145.6	-11.2	0	0	0	113	V277 Q325	V277-N279 WeakPolarHBondContact CG1-O 3.23Å; N279-Q325 HydrophobicContact CB-CB 3.97Å; N279-Q325 PolarHBondContact N-O 3.25Å; N279-Q325 PolarHBondContact O-N 3.42Å
280	V	95.7	Very high	89.9	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.6	169.2	179.8	0	0	0	0	108.1	R251 F254 T255 I258 P322 C323 L324	R251-V280 HydrophobicContact CG-CG1 4.46Å; F254-V280 HydrophobicContact CD1-CG1 4.18Å; F254-V280 HydrophobicContact CD1-CG2 4.05Å; F254-V280 HydrophobicContact CE1-CG1 4.24Å; F254-V280 HydrophobicContact CE1-CG2 3.97Å; T255-V280 HydrophobicContact CG2-CB 4.26Å; T255-V280 HydrophobicContact CG2-CG2 4.17Å; T255-V280 WeakPolarHBondContact OG1-CB 3.47Å; I258-V280 HydrophobicContact CG2-CG2 3.59Å; V280-P322 HydrophobicContact CG1-CB 3.73Å; V280-P322 HydrophobicContact CG1-CG 3.73Å; V280-C323 WeakPolarHBondContact CA-O 3.49Å; V280-L324 HydrophobicContact CG2-CD2 4.18Å
281	T	94.8	Very high	91.2	Very high	10 Å²	10	64.9 Å²	64.9	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	149.9	-175.6	62.4	0	0	0	0	111.6	R251 R283 Q288 P322 C323 Y334	R251-T281 WeakPolarHBondContact CD-O 3.47Å; T281-R283 PolarHBondContact OG1-O 2.87Å; T281-Q288 HydrophobicContact CG2-CG 4.05Å; T281-P322 VanDerWaalsContact O-CB 3.26Å; T281-P322 WeakPolarHBondContact O-CB 3.34Å; T281-C323 HydrophobicContact CG2-CB 4Å; T281-C323 PolarHBondContact N-O 3.25Å; T281-C323 PolarHBondContact OG1-N 2.8Å; T281-C323 PolarHBondContact OG1-O 3.41Å; T281-Y334 HydrophobicContact CG2-CD1 3.59Å; T281-Y334 HydrophobicContact CG2-CE1 3.75Å; T281-Y334 HydrophobicContact CG2-CG 4.43Å
282	R	92.9	Very high	92.3	Very high	178 Å²	178	63.1 Å²	63.1	67%	0.672	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	-38.5	171.6	-172.9	177.7	-175.2	171.5	3	111.4	D248	D248-R282 IonicContact OD2-NH2 3.65Å; D248-R282 PolarHBondContact OD2-NH2 2.82Å
283	R	93.3	Very high	92.9	Very high	145 Å²	145	63 Å²	63	55%	0.547	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145	177.6	-64.3	-178	-178.1	175.2	1.9	110.5	T281 L287 Q288	T281-R283 PolarHBondContact OG1-O 2.87Å; R283-L287 HydrophobicContact CB-CB 4.41Å; R283-Q288 HydrophobicContact CB-CB 4.24Å
284	P	94.5	Very high	92.9	Very high	17 Å²	17	59.7 Å²	59.7	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	163.7	173.7	31.9	-37.7	0	0	0	111.6	S286 L287 Q288 H320 L321	P284-S286 PolarHBondContact O-N 2.86Å; P284-S286 VanDerWaalsContact O-N 3.15Å; P284-L287 HydrophobicContact CG-CB 4.04Å; P284-L287 HydrophobicContact CG-CD1 3.89Å; P284-L287 HydrophobicContact CG-CG 3.98Å; P284-L287 CarbonylContact O-C 3.56Å; P284-L287 PolarHBondContact O-N 2.89Å; P284-Q288 WeakPolarHBondContact O-CB 3.22Å; P284-Q288 PolarHBondContact O-N 2.82Å; P284-H320 VanDerWaalsContact CB-O 3.28Å; P284-H320 WeakPolarHBondContact CB-O 3.25Å; P284-L321 CarbonylContact C-O 3.44Å; P284-L321 VanDerWaalsContact CA-O 3.3Å; P284-L321 WeakPolarHBondContact CA-O 3.22Å
285	A	94.4	Very high	92.4	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.025	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.7	-178.2	0	0	0	0	0	113.7	L287 A305 L316 P319 L321 C323	A285-L287 VanDerWaalsContact C-N 3.33Å; A285-A305 PolarHBondContact O-N 2.87Å; A285-A305 VanDerWaalsContact O-N 3.08Å; A285-L316 HydrophobicContact CB-CD1 4.02Å; A285-P319 PolarHBondContact N-O 3.37Å; A285-L321 PolarHBondContact N-O 3.37Å; A285-C323 VanDerWaalsContact CA-SG 3.6Å; A285-C323 VanDerWaalsContact CB-SG 3.55Å
286	S	94.1	Very high	91.8	Very high	49 Å²	49	68.3 Å²	68.3	34%	0.343	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.5	173.8	55.6	0	0	0	0	114.2	P284 T303 P319	P284-S286 PolarHBondContact O-N 2.86Å; P284-S286 VanDerWaalsContact O-N 3.15Å; S286-T303 WeakPolarHBondContact O-CG2 3.34Å; S286-P319 PolarHBondContact N-O 3.18Å; S286-P319 PolarHBondContact OG-O 2.83Å
287	L	94.8	Very high	91.2	Very high	108 Å²	108	63.8 Å²	63.8	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-14.8	-174.2	-61.1	178.5	0	0	0	113.7	R283 P284 A285 T289	R283-L287 HydrophobicContact CB-CB 4.41Å; P284-L287 HydrophobicContact CG-CB 4.04Å; P284-L287 HydrophobicContact CG-CD1 3.89Å; P284-L287 HydrophobicContact CG-CG 3.98Å; P284-L287 CarbonylContact O-C 3.56Å; P284-L287 PolarHBondContact O-N 2.89Å; A285-L287 VanDerWaalsContact C-N 3.33Å; L287-T289 PolarHBondContact O-N 3.14Å
288	Q	96.3	Very high	90.8	Very high	24 Å²	24	69.1 Å²	69.1	11%	0.112	35%	0.349	C	S	.	.			trans	-72.3	120.4	176.9	179.4	61.4	52.7	0	0	109	T281 R283 P284 T303 V304 Y334	T281-Q288 HydrophobicContact CG2-CG 4.05Å; R283-Q288 HydrophobicContact CB-CB 4.24Å; P284-Q288 WeakPolarHBondContact O-CB 3.22Å; P284-Q288 PolarHBondContact O-N 2.82Å; Q288-T303 CarbonylContact O-C 3.57Å; Q288-T303 VanDerWaalsContact O-CA 3.24Å; Q288-T303 WeakPolarHBondContact O-CA 3.46Å; Q288-V304 HydrophobicContact CB-CG2 4.2Å; Q288-V304 HydrophobicContact CG-CG2 4Å; Q288-V304 PolarHBondContact O-N 3.21Å; Q288-Y334 HydrophobicContact CG-CD2 4.09Å; Q288-Y334 HydrophobicContact CG-CE2 4.34Å; Q288-Y334 HydrophobicContact CG-CG 4.25Å
289	T	95.1	Very high	90.5	Very high	39 Å²	39	72.7 Å²	72.7	24%	0.239	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163.7	178.1	63.2	0	0	0	0	112	L287 E301 R302 T303	L287-T289 PolarHBondContact O-N 3.14Å; T289-E301 WeakPolarHBondContact CB-OE2 3.22Å; T289-E301 PolarHBondContact OG1-OE2 3.21Å; T289-R302 CarbonylContact C-O 3.55Å; T289-R302 WeakPolarHBondContact CA-O 3.43Å; T289-T303 HydrophobicContact CG2-CG2 3.82Å
290	F	94.5	Very high	90.3	Very high	28 Å²	28	71.7 Å²	71.7	12%	0.123	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.3	167.6	65.7	-81.7	0	0	0	109.8	L292 R302 V304 Y307 H332 Y334	F290-L292 HydrophobicContact CE2-CB 4.02Å; F290-L292 HydrophobicContact CE2-CD1 4.04Å; F290-L292 PolarHBondContact O-N 3.47Å; F290-R302 WeakPolarHBondContact CD1-O 3.04Å; F290-R302 PolarHBondContact N-O 3.29Å; F290-R302 PolarHBondContact O-N 2.72Å; F290-R302 VanDerWaalsContact O-N 3.08Å; F290-V304 HydrophobicContact CD1-CG2 4.19Å; F290-V304 HydrophobicContact CE1-CG2 4.37Å; F290-Y307 HydrophobicContact CE1-CD1 4.43Å; F290-Y307 HydrophobicContact CE1-CG 4.15Å; F290-Y307 HydrophobicContact CZ-CD1 4Å; F290-Y307 AromaticContact CZ-CD2 3.85Å; F290-Y307 HydrophobicContact CZ-CD2 3.85Å; F290-Y307 HydrophobicContact CZ-CE2 4.38Å; F290-Y307 AromaticContact CZ-CG 3.64Å; F290-Y307 HydrophobicContact CZ-CG 3.64Å; F290-H332 HydrophobicContact CB-CB 3.95Å; F290-Y334 HydrophobicContact CB-CD2 4.04Å; F290-Y334 HydrophobicContact CB-CE2 3.9Å; F290-Y334 HydrophobicContact CD1-CD2 4.45Å
291	P	92.7	Very high	90	Very high	54 Å²	54	77 Å²	77	35%	0.351	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.5	175.7	27.2	-33.3	0	0	0	110	T299 E301	P291-T299 HydrophobicContact CB-CG2 3.64Å; P291-E301 WeakPolarHBondContact CD-OE1 3.25Å
292	L	89.7	Confident	89.9	Confident	42 Å²	42	79.6 Å²	79.6	22%	0.22	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	175.6	-179.7	70	0	0	0	109.3	F290 L294 T299 V300 R302 Y307	F290-L292 HydrophobicContact CE2-CB 4.02Å; F290-L292 HydrophobicContact CE2-CD1 4.04Å; F290-L292 PolarHBondContact O-N 3.47Å; L292-L294 HydrophobicContact CD2-CD2 4.34Å; L292-T299 WeakPolarHBondContact O-CA 3.43Å; L292-V300 PolarHBondContact N-O 3.12Å; L292-V300 PolarHBondContact O-N 3.48Å; L292-R302 HydrophobicContact CB-CB 4.43Å; L292-R302 HydrophobicContact CD2-CB 4.48Å; L292-R302 HydrophobicContact CD2-CG 4.21Å; L292-Y307 HydrophobicContact CD1-CD2 4.46Å; L292-Y307 HydrophobicContact CD1-CE2 4.19Å; L292-Y307 HydrophobicContact CD2-CD2 4.12Å; L292-Y307 HydrophobicContact CD2-CE2 4.5Å
293	Q	86.9	Confident	90.1	Very high	139 Å²	139	72.2 Å²	72.2	65%	0.65	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.8	172.2	-163.5	173.6	17.6	0	0	109.5	G297	Q293-G297 PolarHBondContact NE2-O 2.79Å
294	L	83	Confident	90.2	Very high	66 Å²	66	65.3 Å²	65.3	35%	0.346	35%	0.348	S	S	.	.			trans	-80.9	165	175.6	-61.2	176.4	0	0	0	110.6	L292 N296 G297 Q298 V300	L292-L294 HydrophobicContact CD2-CD2 4.34Å; L294-N296 VanDerWaalsContact CB-OD1 3.27Å; L294-N296 WeakPolarHBondContact CB-OD1 3.41Å; L294-N296 PolarHBondContact O-N 3.26Å; L294-G297 PolarHBondContact O-N 3.07Å; L294-Q298 PolarHBondContact N-O 3.08Å; L294-V300 HydrophobicContact CD1-CG1 3.9Å; L294-V300 HydrophobicContact CD1-CG2 3.83Å; L294-V300 HydrophobicContact CD2-CG2 3.97Å; L294-V300 HydrophobicContact CG-CG2 3.78Å
295	E	79.2	Confident	90.2	Very high	207 Å²	207	65.6 Å²	65.6	97%	0.967	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.2	-179.3	-66.3	-177.8	174.1	0	0	113.2	G297	E295-G297 PolarHBondContact O-N 3.25Å
296	N	80.4	Confident	90.2	Very high	112 Å²	112	69.5 Å²	69.5	60%	0.599	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	5.5	174	69.5	-2	0	0	0	113.9	L294 Q298	L294-N296 VanDerWaalsContact CB-OD1 3.27Å; L294-N296 WeakPolarHBondContact CB-OD1 3.41Å; L294-N296 PolarHBondContact O-N 3.26Å; N296-Q298 VanDerWaalsContact C-N 3.28Å; N296-Q298 PolarHBondContact O-N 3.34Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.41Å; N296-Q298 PolarHBondContact OD1-N 3.32Å
297	G	80.3	Confident	90.2	Very high	43 Å²	43	69.7 Å²	69.7	44%	0.443	36%	0.363	S	S	.	.	S	Bend	trans	82.4	-9.5	-179	0	0	0	0	0	115.2	Q293 L294 E295	Q293-G297 PolarHBondContact NE2-O 2.79Å; L294-G297 PolarHBondContact O-N 3.07Å; E295-G297 PolarHBondContact O-N 3.25Å
298	Q	85.2	Confident	90.2	Very high	114 Å²	114	64.8 Å²	64.8	53%	0.533	34%	0.337	S	S	.	.			trans	-74.4	136.6	179.3	-166.9	178.3	6.2	0	0	111.1	L294 N296 V300	L294-Q298 PolarHBondContact N-O 3.08Å; N296-Q298 VanDerWaalsContact C-N 3.28Å; N296-Q298 PolarHBondContact O-N 3.34Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.41Å; N296-Q298 PolarHBondContact OD1-N 3.32Å; Q298-V300 HydrophobicContact CG-CG1 4.46Å
299	T	87.7	Confident	90	Very high	87 Å²	87	71.6 Å²	71.6	53%	0.534	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.1	173.5	-58.2	0	0	0	0	109.8	P291 L292	P291-T299 HydrophobicContact CB-CG2 3.64Å; L292-T299 WeakPolarHBondContact O-CA 3.43Å
300	V	90	Very high	89.8	Confident	36 Å²	36	75.1 Å²	75.1	22%	0.218	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.3	177	-66.2	0	0	0	0	110.3	L292 L294 Q298 R302	L292-V300 PolarHBondContact N-O 3.12Å; L292-V300 PolarHBondContact O-N 3.48Å; L294-V300 HydrophobicContact CD1-CG1 3.9Å; L294-V300 HydrophobicContact CD1-CG2 3.83Å; L294-V300 HydrophobicContact CD2-CG2 3.97Å; L294-V300 HydrophobicContact CG-CG2 3.78Å; Q298-V300 HydrophobicContact CG-CG1 4.46Å; V300-R302 HydrophobicContact CG2-CG 3.94Å; V300-R302 PolarHBondContact O-N 2.8Å
301	E	91.1	Very high	89.5	Confident	115 Å²	115	80.2 Å²	80.2	54%	0.537	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.9	169.5	-80.1	-70.8	138.5	0	0	108.8	T289 P291	T289-E301 WeakPolarHBondContact CB-OE2 3.22Å; T289-E301 PolarHBondContact OG1-OE2 3.21Å; P291-E301 WeakPolarHBondContact CD-OE1 3.25Å
302	R	92.9	Very high	89.4	Confident	66 Å²	66	81.6 Å²	81.6	25%	0.249	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.4	178.1	-80.6	-63.4	-158.3	143.4	13.5	111	T289 F290 L292 V300 E310	T289-R302 CarbonylContact C-O 3.55Å; T289-R302 WeakPolarHBondContact CA-O 3.43Å; F290-R302 WeakPolarHBondContact CD1-O 3.04Å; F290-R302 PolarHBondContact N-O 3.29Å; F290-R302 PolarHBondContact O-N 2.72Å; F290-R302 VanDerWaalsContact O-N 3.08Å; L292-R302 HydrophobicContact CB-CB 4.43Å; L292-R302 HydrophobicContact CD2-CB 4.48Å; L292-R302 HydrophobicContact CD2-CG 4.21Å; V300-R302 HydrophobicContact CG2-CG 3.94Å; V300-R302 PolarHBondContact O-N 2.8Å; R302-E310 IonicContact CZ-OE1 3.38Å; R302-E310 IonicContact CZ-OE2 3.77Å; R302-E310 IonicContact NH1-OE1 2.85Å; R302-E310 PolarHBondContact NH1-OE1 2.97Å; R302-E310 IonicContact NH1-OE2 3.83Å; R302-E310 VanDerWaalsContact NH2-CD 3.31Å; R302-E310 IonicContact NH2-OE1 3.52Å; R302-E310 PolarHBondContact NH2-OE1 3.01Å; R302-E310 IonicContact NH2-OE2 2.66Å; R302-E310 PolarHBondContact NH2-OE2 3.41Å
303	T	95.3	Very high	89.4	Confident	22 Å²	22	85 Å²	85	14%	0.135	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	151.5	175.2	71.4	0	0	0	0	110.6	S286 Q288 T289 A305 Q306 Y307	S286-T303 WeakPolarHBondContact O-CG2 3.34Å; Q288-T303 CarbonylContact O-C 3.57Å; Q288-T303 VanDerWaalsContact O-CA 3.24Å; Q288-T303 WeakPolarHBondContact O-CA 3.46Å; T289-T303 HydrophobicContact CG2-CG2 3.82Å; T303-A305 VanDerWaalsContact C-N 3.29Å; T303-A305 PolarHBondContact O-N 3.21Å; T303-Q306 PolarHBondContact O-N 3.33Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.38Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.44Å; T303-Q306 PolarHBondContact OG1-N 2.94Å; T303-Y307 WeakPolarHBondContact O-CB 3.49Å; T303-Y307 PolarHBondContact O-N 2.96Å
304	V	95.8	Very high	89.7	Confident	1 Å²	1	80.5 Å²	80.5	1%	0.006	40%	0.404	C	S	.	.	H	α-helix	trans	-58.9	-43.4	176.7	178.6	0	0	0	0	110.7	Q288 F290 Q306 Y307 F308 Y334 P336	Q288-V304 HydrophobicContact CB-CG2 4.2Å; Q288-V304 HydrophobicContact CG-CG2 4Å; Q288-V304 PolarHBondContact O-N 3.21Å; F290-V304 HydrophobicContact CD1-CG2 4.19Å; F290-V304 HydrophobicContact CE1-CG2 4.37Å; V304-Q306 PolarHBondContact O-N 2.91Å; V304-Y307 PolarHBondContact O-N 3.41Å; V304-F308 HydrophobicContact CG1-CD2 3.9Å; V304-F308 HydrophobicContact CG1-CE2 4.01Å; V304-F308 WeakPolarHBondContact O-CD2 3.45Å; V304-F308 PolarHBondContact O-N 3.45Å; V304-F308 VanDerWaalsContact O-N 3.07Å; V304-Y334 HydrophobicContact CG2-CD2 4.28Å; V304-Y334 HydrophobicContact CG2-CG 4.4Å; V304-P336 HydrophobicContact CG1-CG 3.68Å
305	A	94.7	Very high	90.2	Very high	22 Å²	22	84.7 Å²	84.7	18%	0.182	42%	0.421	C	S	.	.	H	α-helix	trans	-61.7	-43	178.1	0	0	0	0	0	113.3	A285 T303 R309 L316	A285-A305 PolarHBondContact O-N 2.87Å; A285-A305 VanDerWaalsContact O-N 3.08Å; T303-A305 VanDerWaalsContact C-N 3.29Å; T303-A305 PolarHBondContact O-N 3.21Å; A305-R309 PolarHBondContact O-N 3.41Å; A305-R309 VanDerWaalsContact O-N 3.17Å; A305-L316 HydrophobicContact CB-CD1 3.92Å
306	Q	93.9	Very high	90.8	Very high	85 Å²	85	75.6 Å²	75.6	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-44.4	177	-74.9	173.5	-1.5	0	0	111.5	T303 V304 F308 R309 E310	T303-Q306 PolarHBondContact O-N 3.33Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.38Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.44Å; T303-Q306 PolarHBondContact OG1-N 2.94Å; V304-Q306 PolarHBondContact O-N 2.91Å; Q306-F308 VanDerWaalsContact C-N 3.35Å; Q306-F308 PolarHBondContact O-N 2.68Å; Q306-R309 PolarHBondContact O-N 3.06Å; Q306-E310 WeakPolarHBondContact O-CG 3.47Å; Q306-E310 PolarHBondContact O-N 3.08Å
307	Y	94.3	Very high	91.3	Very high	54 Å²	54	78.2 Å²	78.2	21%	0.212	39%	0.386	C	S	.	.	H	α-helix	trans	-58.4	-44.7	178.6	173.5	-104.5	0	0	0	112.3	F290 L292 T303 V304 E310 K311 Y312	F290-Y307 HydrophobicContact CE1-CD1 4.43Å; F290-Y307 HydrophobicContact CE1-CG 4.15Å; F290-Y307 HydrophobicContact CZ-CD1 4Å; F290-Y307 AromaticContact CZ-CD2 3.85Å; F290-Y307 HydrophobicContact CZ-CD2 3.85Å; F290-Y307 HydrophobicContact CZ-CE2 4.38Å; F290-Y307 AromaticContact CZ-CG 3.64Å; F290-Y307 HydrophobicContact CZ-CG 3.64Å; L292-Y307 HydrophobicContact CD1-CD2 4.46Å; L292-Y307 HydrophobicContact CD1-CE2 4.19Å; L292-Y307 HydrophobicContact CD2-CD2 4.12Å; L292-Y307 HydrophobicContact CD2-CE2 4.5Å; T303-Y307 WeakPolarHBondContact O-CB 3.49Å; T303-Y307 PolarHBondContact O-N 2.96Å; V304-Y307 PolarHBondContact O-N 3.41Å; Y307-E310 PolarHBondContact O-N 3Å; Y307-K311 HydrophobicContact CD2-CB 4.27Å; Y307-K311 HydrophobicContact CE2-CB 3.97Å; Y307-K311 HydrophobicContact CE2-CG 4.09Å; Y307-K311 VanDerWaalsContact O-CB 3.23Å; Y307-K311 WeakPolarHBondContact O-CB 3.5Å; Y307-K311 PolarHBondContact O-N 2.93Å; Y307-Y312 HydrophobicContact CD1-CE2 4.48Å; Y307-Y312 HydrophobicContact CE1-CD2 4.48Å; Y307-Y312 AromaticContact CE1-CE2 3.69Å; Y307-Y312 HydrophobicContact CE1-CE2 3.69Å
308	F	94.9	Very high	91.8	Very high	4 Å²	4	78.8 Å²	78.8	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-35.3	178.6	-89.1	-99.4	0	0	0	113.1	H267 V304 Q306 Y312 S313 L314 P336 V339	H267-F308 HydrophobicContact CB-CE1 4.44Å; H267-F308 AromaticContact CD2-CE1 3.67Å; H267-F308 AromaticContact CE1-CE1 3.78Å; H267-F308 AromaticContact CE1-CZ 3.93Å; H267-F308 AromaticContact CG-CE1 3.75Å; H267-F308 AromaticContact ND1-CE1 3.81Å; H267-F308 AromaticContact NE2-CE1 3.7Å; H267-F308 AromaticContact NE2-CZ 3.92Å; V304-F308 HydrophobicContact CG1-CD2 3.9Å; V304-F308 HydrophobicContact CG1-CE2 4.01Å; V304-F308 WeakPolarHBondContact O-CD2 3.45Å; V304-F308 PolarHBondContact O-N 3.45Å; V304-F308 VanDerWaalsContact O-N 3.07Å; Q306-F308 VanDerWaalsContact C-N 3.35Å; Q306-F308 PolarHBondContact O-N 2.68Å; F308-Y312 AromaticContact CD1-CD2 3.91Å; F308-Y312 HydrophobicContact CD1-CD2 3.91Å; F308-Y312 HydrophobicContact CE1-CD2 4.15Å; F308-Y312 HydrophobicContact CE1-CE2 4.38Å; F308-Y312 HydrophobicContact CG-CD2 4.32Å; F308-Y312 CarbonylContact O-C 3.55Å; F308-Y312 PolarHBondContact O-N 2.73Å; F308-S313 PolarHBondContact O-N 2.9Å; F308-L314 CarbonylContact C-O 3.56Å; F308-L314 PolarHBondContact O-N 3.45Å; F308-L314 VanDerWaalsContact O-N 3.14Å; F308-P336 HydrophobicContact CD1-CG 4.49Å; F308-P336 HydrophobicContact CD2-CG 3.94Å; F308-P336 HydrophobicContact CE1-CG 4.39Å; F308-P336 HydrophobicContact CE2-CG 3.83Å; F308-P336 HydrophobicContact CG-CG 4.28Å; F308-P336 VanDerWaalsContact CZ-CD 3.47Å; F308-P336 HydrophobicContact CZ-CG 4.08Å; F308-V339 HydrophobicContact CD1-CG1 4.38Å; F308-V339 HydrophobicContact CE1-CB 4.42Å; F308-V339 HydrophobicContact CE1-CG1 4.11Å; F308-V339 HydrophobicContact CE1-CG2 3.88Å; F308-V339 HydrophobicContact CZ-CG2 4.1Å
309	R	93.4	Very high	92.2	Very high	167 Å²	167	75.4 Å²	75.4	63%	0.63	36%	0.363	S	S	*	.	H	α-helix	trans	-66.8	-43.4	175.1	-174.2	177.8	179.9	173.7	0.1	112.2	A305 Q306 S313 L314	A305-R309 PolarHBondContact O-N 3.41Å; A305-R309 VanDerWaalsContact O-N 3.17Å; Q306-R309 PolarHBondContact O-N 3.06Å; R309-S313 VanDerWaalsContact O-CA 3.25Å; R309-S313 WeakPolarHBondContact O-CA 3.48Å; R309-S313 PolarHBondContact O-N 2.86Å; R309-L314 WeakPolarHBondContact CA-O 3.17Å; R309-L314 PolarHBondContact N-O 3.47Å
310	E	90.1	Very high	92.3	Very high	113 Å²	113	73.3 Å²	73.3	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-80.3	-44.2	-176.3	-68.7	174	-170.9	0	0	112.5	R302 Q306 Y307	R302-E310 IonicContact CZ-OE1 3.38Å; R302-E310 IonicContact CZ-OE2 3.77Å; R302-E310 IonicContact NH1-OE1 2.85Å; R302-E310 PolarHBondContact NH1-OE1 2.97Å; R302-E310 IonicContact NH1-OE2 3.83Å; R302-E310 VanDerWaalsContact NH2-CD 3.31Å; R302-E310 IonicContact NH2-OE1 3.52Å; R302-E310 PolarHBondContact NH2-OE1 3.01Å; R302-E310 IonicContact NH2-OE2 2.66Å; R302-E310 PolarHBondContact NH2-OE2 3.41Å; Q306-E310 WeakPolarHBondContact O-CG 3.47Å; Q306-E310 PolarHBondContact O-N 3.08Å; Y307-E310 PolarHBondContact O-N 3Å
311	K	89.3	Confident	92.4	Very high	136 Å²	136	71.7 Å²	71.7	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-82.8	-34.4	-173.5	-172.6	61.3	178.6	-178.8	0	113.8	Y307	Y307-K311 HydrophobicContact CD2-CB 4.27Å; Y307-K311 HydrophobicContact CE2-CB 3.97Å; Y307-K311 HydrophobicContact CE2-CG 4.09Å; Y307-K311 VanDerWaalsContact O-CB 3.23Å; Y307-K311 WeakPolarHBondContact O-CB 3.5Å; Y307-K311 PolarHBondContact O-N 2.93Å
312	Y	89	Confident	92.6	Very high	83 Å²	83	66.4 Å²	66.4	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-119.9	5.6	-173.6	-58.4	-72.6	0	0	0	113.2	H267 Y307 F308 L314	H267-Y312 AromaticContact CD2-CD1 3.93Å; H267-Y312 AromaticContact CD2-CD2 3.92Å; H267-Y312 AromaticContact CD2-CE1 3.85Å; H267-Y312 AromaticContact CD2-CE2 3.84Å; H267-Y312 AromaticContact CD2-CG 3.98Å; H267-Y312 AromaticContact CD2-CZ 3.81Å; H267-Y312 AromaticContact NE2-CE2 3.95Å; H267-Y312 AromaticContact NE2-CZ 3.88Å; Y307-Y312 HydrophobicContact CD1-CE2 4.48Å; Y307-Y312 HydrophobicContact CE1-CD2 4.48Å; Y307-Y312 AromaticContact CE1-CE2 3.69Å; Y307-Y312 HydrophobicContact CE1-CE2 3.69Å; F308-Y312 AromaticContact CD1-CD2 3.91Å; F308-Y312 HydrophobicContact CD1-CD2 3.91Å; F308-Y312 HydrophobicContact CE1-CD2 4.15Å; F308-Y312 HydrophobicContact CE1-CE2 4.38Å; F308-Y312 HydrophobicContact CG-CD2 4.32Å; F308-Y312 CarbonylContact O-C 3.55Å; F308-Y312 PolarHBondContact O-N 2.73Å; Y312-L314 PolarHBondContact O-N 2.73Å; Y312-L314 VanDerWaalsContact O-N 3.09Å
313	S	91.3	Very high	92.8	Very high	114 Å²	114	63.3 Å²	63.3	80%	0.797	30%	0.301	S	S	*	.			trans	51.9	31.6	-175.4	-57.8	0	0	0	0	113.1	F308 R309	F308-S313 PolarHBondContact O-N 2.9Å; R309-S313 VanDerWaalsContact O-CA 3.25Å; R309-S313 WeakPolarHBondContact O-CA 3.48Å; R309-S313 PolarHBondContact O-N 2.86Å
314	L	91.8	Very high	92.9	Very high	44 Å²	44	62.2 Å²	62.2	23%	0.23	29%	0.294	C	S	.	.			trans	-109.5	109.8	-172.8	-167.6	152.9	0	0	0	110.2	H267 F308 R309 Y312 L316 V339	H267-L314 HydrophobicContact CB-CD1 3.95Å; F308-L314 CarbonylContact C-O 3.56Å; F308-L314 PolarHBondContact O-N 3.45Å; F308-L314 VanDerWaalsContact O-N 3.14Å; R309-L314 WeakPolarHBondContact CA-O 3.17Å; R309-L314 PolarHBondContact N-O 3.47Å; Y312-L314 PolarHBondContact O-N 2.73Å; Y312-L314 VanDerWaalsContact O-N 3.09Å; L314-L316 HydrophobicContact CD2-CD2 3.6Å; L314-L316 HydrophobicContact CD2-CG 4.44Å; L314-V339 HydrophobicContact CD1-CG1 4.03Å; L314-V339 HydrophobicContact CD2-CG1 4.17Å
315	Q	93.4	Very high	92.9	Very high	153 Å²	153	63.2 Å²	63.2	72%	0.715	30%	0.299	S	S	*	.			trans	-82.8	116.9	172.6	-175.9	171.9	2.6	0	0	110	K317	Q315-K317 PolarHBondContact O-N 3.36Å
316	L	92.6	Very high	92.9	Very high	17 Å²	17	62.2 Å²	62.2	9%	0.089	29%	0.29	C	S	.	.			trans	-66.6	132.4	-179.3	-62.4	177.1	0	0	0	111.2	A285 A305 L314 P319 P336 E338	A285-L316 HydrophobicContact CB-CD1 4.02Å; A305-L316 HydrophobicContact CB-CD1 3.92Å; L314-L316 HydrophobicContact CD2-CD2 3.6Å; L314-L316 HydrophobicContact CD2-CG 4.44Å; L316-P319 HydrophobicContact CB-CB 4.34Å; L316-P336 HydrophobicContact CD1-CB 4.22Å; L316-P336 HydrophobicContact CD1-CG 3.97Å; L316-P336 HydrophobicContact CD2-CB 3.77Å; L316-P336 HydrophobicContact CD2-CG 3.82Å; L316-E338 WeakPolarHBondContact CA-OE1 3.43Å; L316-E338 HydrophobicContact CD2-CG 3.85Å; L316-E338 WeakPolarHBondContact CD2-OE1 3.35Å
317	K	91.2	Very high	92.7	Very high	167 Å²	167	60.4 Å²	60.4	73%	0.726	30%	0.295	S	S	*	.	S	Bend	trans	-75.8	-35.5	174.5	-66.8	-175.4	179.7	-176.1	0	111.9	Q315 P319 E338	Q315-K317 PolarHBondContact O-N 3.36Å; K317-P319 VanDerWaalsContact O-CD 3.25Å; K317-P319 WeakPolarHBondContact O-CD 3.4Å; K317-E338 PolarHBondContact N-OE1 3.48Å; K317-E338 PolarHBondContact N-OE2 2.87Å; K317-E338 VanDerWaalsContact N-OE2 3.17Å
318	Y	91	Very high	92.3	Very high	54 Å²	54	63.1 Å²	63.1	21%	0.212	31%	0.31	C	S	.	.			trans	-120.8	58.9	-175.5	-50.1	-76.6	0	0	0	112.3	I227 M239 H320 L321 E338	I227-Y318 HydrophobicContact CD1-CD2 4.03Å; I227-Y318 HydrophobicContact CD1-CG 4.46Å; M239-Y318 HydrophobicContact CB-CE1 4.33Å; Y318-H320 AromaticContact CD1-CE1 3.98Å; Y318-H320 PolarHBondContact O-N 3.1Å; Y318-H320 VanDerWaalsContact O-N 3.13Å; Y318-L321 HydrophobicContact CG-CD1 4.13Å; Y318-L321 PolarHBondContact O-N 3.41Å; Y318-L321 VanDerWaalsContact O-N 3.12Å; Y318-E338 HydrophobicContact CD2-CB 4.33Å; Y318-E338 PolarHBondContact N-OE2 3.48Å
319	P	92.4	Very high	91.9	Very high	44 Å²	44	67.9 Å²	67.9	29%	0.286	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-15.3	-176.2	30	-36.6	0	0	0	113.6	A285 S286 L316 K317 L321	A285-P319 PolarHBondContact N-O 3.37Å; S286-P319 PolarHBondContact N-O 3.18Å; S286-P319 PolarHBondContact OG-O 2.83Å; L316-P319 HydrophobicContact CB-CB 4.34Å; K317-P319 VanDerWaalsContact O-CD 3.25Å; K317-P319 WeakPolarHBondContact O-CD 3.4Å; P319-L321 VanDerWaalsContact C-N 3.31Å
320	H	90.4	Very high	91.5	Very high	42 Å²	42	67.3 Å²	67.3	19%	0.194	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.7	176.4	60	-88.9	0	0	0	113.5	Q242 P284 Y318	Q242-H320 PolarHBondContact O-NE2 2.96Å; P284-H320 VanDerWaalsContact CB-O 3.28Å; P284-H320 WeakPolarHBondContact CB-O 3.25Å; Y318-H320 AromaticContact CD1-CE1 3.98Å; Y318-H320 PolarHBondContact O-N 3.1Å; Y318-H320 VanDerWaalsContact O-N 3.13Å
321	L	92.8	Very high	91.6	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.01	34%	0.335	C	S	.	.	S	Bend	trans	-85.7	155.5	175.7	-66.2	-178.7	0	0	0	111.5	I227 M230 M239 L246 P284 A285 Y318 P319 L337	I227-L321 HydrophobicContact CD1-CD1 3.44Å; I227-L321 VanDerWaalsContact CD1-CD1 3.44Å; M230-L321 HydrophobicContact CE-CD1 3.88Å; M230-L321 HydrophobicContact CE-CD2 4.12Å; M230-L321 HydrophobicContact SD-CD2 4.49Å; M239-L321 HydrophobicContact CE-CD1 4.12Å; L246-L321 HydrophobicContact CD1-CD2 4.41Å; L246-L321 HydrophobicContact CG-CD2 4.14Å; P284-L321 CarbonylContact C-O 3.44Å; P284-L321 VanDerWaalsContact CA-O 3.3Å; P284-L321 WeakPolarHBondContact CA-O 3.22Å; A285-L321 PolarHBondContact N-O 3.37Å; Y318-L321 HydrophobicContact CG-CD1 4.13Å; Y318-L321 PolarHBondContact O-N 3.41Å; Y318-L321 VanDerWaalsContact O-N 3.12Å; P319-L321 VanDerWaalsContact C-N 3.31Å; L321-L337 HydrophobicContact CB-CD1 4.12Å; L321-L337 HydrophobicContact CD1-CD1 4.16Å
322	P	95.3	Very high	91.6	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.032	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	170.3	176.9	31.3	-37.2	0	0	0	112.4	L246 V280 T281 L337	L246-P322 HydrophobicContact CD1-CG 3.93Å; V280-P322 HydrophobicContact CG1-CB 3.73Å; V280-P322 HydrophobicContact CG1-CG 3.73Å; T281-P322 VanDerWaalsContact O-CB 3.26Å; T281-P322 WeakPolarHBondContact O-CB 3.34Å; P322-L337 WeakPolarHBondContact O-CD2 3.24Å; P322-L337 VanDerWaalsContact O-CG 3.27Å; P322-L337 WeakPolarHBondContact O-CG 3.41Å
323	C	96.6	Very high	91.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	153.9	173.7	-60.9	0	0	0	0	111.3	V280 T281 A285 L335	V280-C323 WeakPolarHBondContact CA-O 3.49Å; T281-C323 HydrophobicContact CG2-CB 4Å; T281-C323 PolarHBondContact N-O 3.25Å; T281-C323 PolarHBondContact OG1-N 2.8Å; T281-C323 PolarHBondContact OG1-O 3.41Å; A285-C323 VanDerWaalsContact CA-SG 3.6Å; A285-C323 VanDerWaalsContact CB-SG 3.55Å; C323-L335 CarbonylContact C-O 3.5Å; C323-L335 WeakPolarHBondContact CA-O 3.48Å
324	L	97.2	Very high	92.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.1	164.4	-54.2	-178.5	0	0	0	109	V226 F254 I258 V263 V277 V280 V326 Y334 L335 L337	V226-L324 HydrophobicContact CG1-CD1 4.24Å; V226-L324 HydrophobicContact CG2-CD1 4.24Å; F254-L324 HydrophobicContact CE1-CD2 4.28Å; F254-L324 HydrophobicContact CZ-CD2 4.4Å; I258-L324 HydrophobicContact CD1-CD1 4.18Å; I258-L324 HydrophobicContact CD1-CD2 3.75Å; I258-L324 HydrophobicContact CG2-CD2 4.39Å; V263-L324 HydrophobicContact CG1-CD1 4.06Å; V263-L324 HydrophobicContact CG2-CD1 4.18Å; V277-L324 HydrophobicContact CG1-CB 4.37Å; V277-L324 HydrophobicContact CG1-CD2 4.26Å; V277-L324 HydrophobicContact CG2-CB 4.44Å; V277-L324 HydrophobicContact CG2-CD1 3.93Å; V280-L324 HydrophobicContact CG2-CD2 4.18Å; L324-V326 HydrophobicContact CB-CG1 4.07Å; L324-Y334 CarbonylContact O-C 3.55Å; L324-Y334 WeakPolarHBondContact O-CA 3.49Å; L324-L335 HydrophobicContact CB-CB 4.46Å; L324-L335 PolarHBondContact N-O 3.43Å; L324-L335 PolarHBondContact O-N 3.35Å; L324-L337 HydrophobicContact CD1-CD2 4.46Å; L324-L337 HydrophobicContact CD2-CD2 3.48Å; L324-L337 VanDerWaalsContact CD2-CD2 3.48Å; L324-L337 HydrophobicContact CG-CD2 3.64Å
325	Q	96.5	Very high	92.3	Very high	22 Å²	22	59 Å²	59	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.9	163.9	-167.8	-176.1	7.7	0	0	108.3	C278 N279 E329 K331 T333 Y334	C278-Q325 PolarHBondContact N-O 3.34Å; C278-Q325 VanDerWaalsContact SG-C 3.54Å; C278-Q325 PolarHBondContact SG-O 3.03Å; N279-Q325 HydrophobicContact CB-CB 3.97Å; N279-Q325 PolarHBondContact N-O 3.25Å; N279-Q325 PolarHBondContact O-N 3.42Å; Q325-E329 PolarHBondContact NE2-O 2.93Å; Q325-K331 PolarHBondContact NE2-O 2.81Å; Q325-T333 WeakPolarHBondContact CA-O 3.38Å; Q325-Y334 HydrophobicContact CB-CD1 4.01Å; Q325-Y334 HydrophobicContact CB-CE1 4Å; Q325-Y334 HydrophobicContact CG-CD1 4.02Å; Q325-Y334 HydrophobicContact CG-CE1 3.69Å
326	V	94.1	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.3	-173.8	-57.4	0	0	0	0	112.9	V263 Y275 R276 V277 L324 T333 L335	V263-V326 HydrophobicContact CG2-CG1 4.36Å; Y275-V326 HydrophobicContact CD1-CB 4.42Å; Y275-V326 HydrophobicContact CD1-CG2 3.79Å; Y275-V326 HydrophobicContact CE1-CG2 4.43Å; Y275-V326 HydrophobicContact CG-CB 4.3Å; Y275-V326 HydrophobicContact CG-CG2 3.84Å; R276-V326 WeakPolarHBondContact O-CA 3.33Å; V277-V326 HydrophobicContact CG2-CG1 4.21Å; L324-V326 HydrophobicContact CB-CG1 4.07Å; V326-T333 HydrophobicContact CG2-CG2 3.66Å; V326-T333 PolarHBondContact N-O 2.86Å; V326-L335 HydrophobicContact CG1-CD1 3.96Å; V326-L335 HydrophobicContact CG1-CG 4.48Å; V326-L335 HydrophobicContact CG2-CD1 3.85Å; V326-L335 HydrophobicContact CG2-CG 4.07Å
327	G	89.6	Confident	92.5	Very high	48 Å²	48	51.3 Å²	51.3	50%	0.495	25%	0.253	S	S	.	.	S	Bend	trans	81.5	-130.5	-179.5	0	0	0	0	0	112.4	R276	R276-G327 PolarHBondContact O-N 3.2Å; R276-G327 VanDerWaalsContact O-N 3.08Å
328	Q	85.8	Confident	92.6	Very high	111 Å²	111	45.6 Å²	45.6	52%	0.519	23%	0.229	S	C	.	.			trans	-78.5	128.7	179.5	-69.9	176.9	-11.1	0	0	110	Q330 K331	Q328-Q330 PolarHBondContact O-N 2.99Å; Q328-K331 HydrophobicContact CB-CB 4.26Å; Q328-K331 HydrophobicContact CB-CD 4.24Å; Q328-K331 HydrophobicContact CB-CG 4.07Å; Q328-K331 PolarHBondContact O-N 3.47Å
329	E	85.3	Confident	92.8	Very high	103 Å²	103	43.1 Å²	43.1	48%	0.481	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.3	-179.8	-75.2	-174.3	169.9	0	0	112.7	K259 C278 Q325 K331	K259-E329 IonicContact NZ-OE1 2.69Å; K259-E329 PolarHBondContact NZ-OE1 3.15Å; C278-E329 HydrophobicContact CB-CG 3.44Å; C278-E329 VanDerWaalsContact CB-CG 3.44Å; Q325-E329 PolarHBondContact NE2-O 2.93Å; E329-K331 VanDerWaalsContact C-N 3.25Å; E329-K331 PolarHBondContact O-N 3.1Å
330	Q	86.6	Confident	92.9	Very high	156 Å²	156	41 Å²	41	73%	0.729	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.5	176.3	-54.3	85.8	-4.2	0	0	113.5	Q328	Q328-Q330 PolarHBondContact O-N 2.99Å
331	K	90.6	Very high	93.1	Very high	113 Å²	113	40.9 Å²	40.9	49%	0.491	21%	0.207	S	C	.	.	S	Bend	trans	-103.2	163.5	179.9	-70.2	-171.4	172.7	177.8	0	111.6	Q325 Q328 E329	Q325-K331 PolarHBondContact NE2-O 2.81Å; Q328-K331 HydrophobicContact CB-CB 4.26Å; Q328-K331 HydrophobicContact CB-CD 4.24Å; Q328-K331 HydrophobicContact CB-CG 4.07Å; Q328-K331 PolarHBondContact O-N 3.47Å; E329-K331 VanDerWaalsContact C-N 3.25Å; E329-K331 PolarHBondContact O-N 3.1Å
332	H	90.4	Very high	93.3	Very high	99 Å²	99	40.9 Å²	40.9	46%	0.458	21%	0.207	S	C	.	.			trans	-104.5	39.5	-170.1	-32.8	103.3	0	0	0	112.4	F290 Y334	F290-H332 HydrophobicContact CB-CB 3.95Å; H332-Y334 HydrophobicContact CB-CE2 3.81Å; H332-Y334 WeakPolarHBondContact O-CD2 3.39Å; H332-Y334 WeakPolarHBondContact O-CE2 3.49Å; H332-Y334 PolarHBondContact O-N 2.82Å
333	T	93.7	Very high	93.2	Very high	56 Å²	56	41.2 Å²	41.2	34%	0.344	21%	0.209	S	C	.	.			trans	-87.9	106.5	179.7	-50.9	0	0	0	0	110.1	Q325 V326	Q325-T333 WeakPolarHBondContact CA-O 3.38Å; V326-T333 HydrophobicContact CG2-CG2 3.66Å; V326-T333 PolarHBondContact N-O 2.86Å
334	Y	96.3	Very high	92.9	Very high	38 Å²	38	44.7 Å²	44.7	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.7	-177.4	-54	-61.6	0	0	0	111.3	T281 Q288 F290 V304 L324 Q325 H332	T281-Y334 HydrophobicContact CG2-CD1 3.59Å; T281-Y334 HydrophobicContact CG2-CE1 3.75Å; T281-Y334 HydrophobicContact CG2-CG 4.43Å; Q288-Y334 HydrophobicContact CG-CD2 4.09Å; Q288-Y334 HydrophobicContact CG-CE2 4.34Å; Q288-Y334 HydrophobicContact CG-CG 4.25Å; F290-Y334 HydrophobicContact CB-CD2 4.04Å; F290-Y334 HydrophobicContact CB-CE2 3.9Å; F290-Y334 HydrophobicContact CD1-CD2 4.45Å; V304-Y334 HydrophobicContact CG2-CD2 4.28Å; V304-Y334 HydrophobicContact CG2-CG 4.4Å; L324-Y334 CarbonylContact O-C 3.55Å; L324-Y334 WeakPolarHBondContact O-CA 3.49Å; Q325-Y334 HydrophobicContact CB-CD1 4.01Å; Q325-Y334 HydrophobicContact CB-CE1 4Å; Q325-Y334 HydrophobicContact CG-CD1 4.02Å; Q325-Y334 HydrophobicContact CG-CE1 3.69Å; H332-Y334 HydrophobicContact CB-CE2 3.81Å; H332-Y334 WeakPolarHBondContact O-CD2 3.39Å; H332-Y334 WeakPolarHBondContact O-CE2 3.49Å; H332-Y334 PolarHBondContact O-N 2.82Å
335	L	95.8	Very high	92.5	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	176.6	-62.1	177.4	0	0	0	110.1	V263 V265 Y275 C323 L324 V326	V263-L335 HydrophobicContact CG2-CD1 4.5Å; V265-L335 HydrophobicContact CG1-CD1 3.73Å; V265-L335 HydrophobicContact CG1-CD2 4.03Å; Y275-L335 HydrophobicContact CD2-CD1 3.92Å; Y275-L335 HydrophobicContact CE2-CD1 4.36Å; Y275-L335 HydrophobicContact CG-CD1 4.42Å; C323-L335 CarbonylContact C-O 3.5Å; C323-L335 WeakPolarHBondContact CA-O 3.48Å; L324-L335 HydrophobicContact CB-CB 4.46Å; L324-L335 PolarHBondContact N-O 3.43Å; L324-L335 PolarHBondContact O-N 3.35Å; V326-L335 HydrophobicContact CG1-CD1 3.96Å; V326-L335 HydrophobicContact CG1-CG 4.48Å; V326-L335 HydrophobicContact CG2-CD1 3.85Å; V326-L335 HydrophobicContact CG2-CG 4.07Å
336	P	96.3	Very high	92.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	147.3	167	-23.3	32.3	0	0	0	111.7	V304 F308 L316 E338 V339 S340	V304-P336 HydrophobicContact CG1-CG 3.68Å; F308-P336 HydrophobicContact CD1-CG 4.49Å; F308-P336 HydrophobicContact CD2-CG 3.94Å; F308-P336 HydrophobicContact CE1-CG 4.39Å; F308-P336 HydrophobicContact CE2-CG 3.83Å; F308-P336 HydrophobicContact CG-CG 4.28Å; F308-P336 VanDerWaalsContact CZ-CD 3.47Å; F308-P336 HydrophobicContact CZ-CG 4.08Å; L316-P336 HydrophobicContact CD1-CB 4.22Å; L316-P336 HydrophobicContact CD1-CG 3.97Å; L316-P336 HydrophobicContact CD2-CB 3.77Å; L316-P336 HydrophobicContact CD2-CG 3.82Å; P336-E338 VanDerWaalsContact C-N 3.28Å; P336-E338 HydrophobicContact CB-CG 4.24Å; P336-E338 PolarHBondContact O-N 2.76Å; P336-V339 HydrophobicContact CB-CG2 4.05Å; P336-V339 HydrophobicContact CG-CG2 4.18Å; P336-V339 VanDerWaalsContact O-CG2 3.29Å; P336-V339 WeakPolarHBondContact O-CG2 3.5Å; P336-V339 PolarHBondContact O-N 3.49Å; P336-S340 PolarHBondContact O-OG 2.88Å
337	L	94.9	Very high	92.2	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.1	-37.4	-179.1	-56.7	-168.8	0	0	0	112.1	V226 I227 M230 F254 L321 P322 L324 V339 S340	V226-L337 HydrophobicContact CG1-CB 4.15Å; V226-L337 HydrophobicContact CG1-CD2 3.98Å; V226-L337 HydrophobicContact CG1-CG 4.49Å; I227-L337 HydrophobicContact CD1-CB 3.73Å; I227-L337 HydrophobicContact CD1-CD1 4.38Å; I227-L337 HydrophobicContact CG1-CB 4.13Å; M230-L337 HydrophobicContact SD-CD1 3.74Å; F254-L337 HydrophobicContact CE1-CD1 4.35Å; F254-L337 HydrophobicContact CE1-CD2 4.24Å; F254-L337 HydrophobicContact CZ-CD1 4.43Å; F254-L337 HydrophobicContact CZ-CD2 4.35Å; L321-L337 HydrophobicContact CB-CD1 4.12Å; L321-L337 HydrophobicContact CD1-CD1 4.16Å; P322-L337 WeakPolarHBondContact O-CD2 3.24Å; P322-L337 VanDerWaalsContact O-CG 3.27Å; P322-L337 WeakPolarHBondContact O-CG 3.41Å; L324-L337 HydrophobicContact CD1-CD2 4.46Å; L324-L337 HydrophobicContact CD2-CD2 3.48Å; L324-L337 VanDerWaalsContact CD2-CD2 3.48Å; L324-L337 HydrophobicContact CG-CD2 3.64Å; L337-V339 VanDerWaalsContact C-N 3.28Å; L337-V339 PolarHBondContact O-N 2.85Å; L337-S340 PolarHBondContact O-N 3.23Å
338	E	93.5	Very high	92.3	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-71.1	-17.1	-175.8	61.5	-172.9	-103.9	0	0	114.7	I227 L316 K317 Y318 P336	I227-E338 HydrophobicContact CG1-CB 4.27Å; L316-E338 WeakPolarHBondContact CA-OE1 3.43Å; L316-E338 HydrophobicContact CD2-CG 3.85Å; L316-E338 WeakPolarHBondContact CD2-OE1 3.35Å; K317-E338 PolarHBondContact N-OE1 3.48Å; K317-E338 PolarHBondContact N-OE2 2.87Å; K317-E338 VanDerWaalsContact N-OE2 3.17Å; Y318-E338 HydrophobicContact CD2-CB 4.33Å; Y318-E338 PolarHBondContact N-OE2 3.48Å; P336-E338 VanDerWaalsContact C-N 3.28Å; P336-E338 HydrophobicContact CB-CG 4.24Å; P336-E338 PolarHBondContact O-N 2.76Å
339	V	93.9	Very high	92.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-99.9	16.1	177.7	-57.1	0	0	0	0	113.1	V265 T266 H267 F308 L314 P336 L337	V265-V339 WeakPolarHBondContact CA-O 3.24Å; T266-V339 PolarHBondContact N-O 2.85Å; T266-V339 WeakPolarHBondContact OG1-CA 3.45Å; T266-V339 PolarHBondContact OG1-O 3.04Å; H267-V339 HydrophobicContact CB-CB 4.28Å; H267-V339 HydrophobicContact CB-CG1 4.19Å; F308-V339 HydrophobicContact CD1-CG1 4.38Å; F308-V339 HydrophobicContact CE1-CB 4.42Å; F308-V339 HydrophobicContact CE1-CG1 4.11Å; F308-V339 HydrophobicContact CE1-CG2 3.88Å; F308-V339 HydrophobicContact CZ-CG2 4.1Å; L314-V339 HydrophobicContact CD1-CG1 4.03Å; L314-V339 HydrophobicContact CD2-CG1 4.17Å; P336-V339 HydrophobicContact CB-CG2 4.05Å; P336-V339 HydrophobicContact CG-CG2 4.18Å; P336-V339 VanDerWaalsContact O-CG2 3.29Å; P336-V339 WeakPolarHBondContact O-CG2 3.5Å; P336-V339 PolarHBondContact O-N 3.49Å; L337-V339 VanDerWaalsContact C-N 3.28Å; L337-V339 PolarHBondContact O-N 2.85Å
340	S	94.6	Very high	92.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.6	-172.4	-58.4	0	0	0	0	111.7	V226 E264 P336 L337	V226-S340 WeakPolarHBondContact CB-O 3.34Å; V226-S340 VanDerWaalsContact CG2-O 3.31Å; V226-S340 WeakPolarHBondContact CG2-O 3.35Å; V226-S340 PolarHBondContact N-O 2.65Å; E264-S340 WeakPolarHBondContact O-CA 3.47Å; P336-S340 PolarHBondContact O-OG 2.88Å; L337-S340 PolarHBondContact O-N 3.23Å
341	N	95.8	Very high	92.4	Very high	39 Å²	39	47.7 Å²	47.7	21%	0.209	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.5	170.6	-70.5	-16.5	0	0	0	110.7	P225 V263 E264 T266 V343	P225-N341 WeakPolarHBondContact CA-OD1 3.3Å; V263-N341 CarbonylContact C-O 3.28Å; V263-N341 WeakPolarHBondContact CA-O 3.32Å; V263-N341 WeakPolarHBondContact CB-O 3.35Å; E264-N341 HydrophobicContact CG-CB 3.92Å; E264-N341 PolarHBondContact N-O 2.98Å; E264-N341 PolarHBondContact O-N 3.14Å; T266-N341 VanDerWaalsContact CG2-ND2 3.34Å; T266-N341 WeakPolarHBondContact CG2-ND2 3.48Å; N341-V343 PolarHBondContact O-N 3.21Å
342	I	95.9	Very high	92.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.8	169.5	-58.2	-65.5	0	0	0	108.7	K222 Q224 V226 F229 I258 L261 V263	K222-I342 WeakPolarHBondContact O-CB 3.28Å; K222-I342 WeakPolarHBondContact O-CG2 3.33Å; Q224-I342 PolarHBondContact O-N 2.99Å; V226-I342 HydrophobicContact CG2-CD1 3.93Å; V226-I342 HydrophobicContact CG2-CG1 4.31Å; F229-I342 HydrophobicContact CB-CG1 4.13Å; F229-I342 HydrophobicContact CD1-CD1 4.33Å; F229-I342 HydrophobicContact CD2-CD1 4.5Å; F229-I342 HydrophobicContact CD2-CG1 4.3Å; F229-I342 HydrophobicContact CG-CD1 4.19Å; F229-I342 HydrophobicContact CG-CG1 4.15Å; I258-I342 HydrophobicContact CD1-CD1 4.36Å; L261-I342 HydrophobicContact CD1-CD1 4.31Å; V263-I342 HydrophobicContact CG1-CD1 4.12Å
343	V	93.3	Very high	92.2	Very high	12 Å²	12	42.1 Å²	42.1	7%	0.073	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.2	136.4	179.4	176	0	0	0	0	110	K262 E264 K274 N341 Q346	K262-V343 HydrophobicContact CB-CB 4.21Å; K262-V343 HydrophobicContact CB-CG2 4.07Å; K262-V343 PolarHBondContact O-N 2.88Å; K262-V343 VanDerWaalsContact O-N 3.11Å; E264-V343 HydrophobicContact CB-CG2 4Å; E264-V343 HydrophobicContact CG-CG2 4.3Å; K274-V343 HydrophobicContact CD-CG1 4.27Å; K274-V343 HydrophobicContact CD-CG2 4.29Å; K274-V343 HydrophobicContact CG-CG2 4.06Å; N341-V343 PolarHBondContact O-N 3.21Å; V343-Q346 WeakPolarHBondContact O-CG 3.05Å; V343-Q346 PolarHBondContact O-NE2 3.37Å
344	P	90.7	Very high	91.8	Very high	73 Å²	73	43.6 Å²	43.6	47%	0.474	22%	0.22	S	C	.	.	S	Bend	trans	-63.6	162.7	178.3	24.9	-35.1	0	0	0	113.4	A223 Q346	A223-P344 HydrophobicContact CB-CB 3.87Å; P344-Q346 VanDerWaalsContact C-N 3.29Å; P344-Q346 PolarHBondContact O-N 2.97Å
345	G	89.1	Confident	91.4	Very high	22 Å²	22	48 Å²	48	23%	0.227	25%	0.246	C	C	.	.	S	Bend	trans	70.5	21.4	172.5	0	0	0	0	0	114.6	W195	W195-G345 VanDerWaalsContact CH2-CA 3.49Å
346	Q	92.3	Very high	91.2	Very high	19 Å²	19	48.1 Å²	48.1	9%	0.089	25%	0.247	C	C	.	.			trans	-92.5	107.9	175.7	-66.2	-171.8	91.7	0	0	111.3	F220 Y221 K262 V343 P344 C348	F220-Q346 WeakPolarHBondContact CA-O 3.27Å; F220-Q346 WeakPolarHBondContact CD1-O 3.17Å; Y221-Q346 HydrophobicContact CD2-CB 4.25Å; Y221-Q346 WeakPolarHBondContact CD2-O 3.12Å; Y221-Q346 PolarHBondContact N-O 3.17Å; K262-Q346 VanDerWaalsContact CB-OE1 3.28Å; K262-Q346 PolarHBondContact O-NE2 2.88Å; V343-Q346 WeakPolarHBondContact O-CG 3.05Å; V343-Q346 PolarHBondContact O-NE2 3.37Å; P344-Q346 VanDerWaalsContact C-N 3.29Å; P344-Q346 PolarHBondContact O-N 2.97Å; Q346-C348 PolarHBondContact O-N 2.87Å
347	R	92.4	Very high	90.9	Very high	121 Å²	121	50.5 Å²	50.5	46%	0.457	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-61.9	135.7	176.6	-179.4	-178.3	178.4	-160.5	-0.5	111.6	V173 F220 I349	V173-R347 VanDerWaalsContact CG1-CD 3.42Å; F220-R347 HydrophobicContact CD1-CB 4.35Å; F220-R347 HydrophobicContact CE1-CB 4.04Å; F220-R347 HydrophobicContact CZ-CB 4.27Å; R347-I349 PolarHBondContact O-N 3.49Å
348	C	91.9	Very high	90.5	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.061	28%	0.278	C	S	.	.			trans	-76.1	111.2	168.6	-170.2	0	0	0	0	110.2	A219 Y221 Q346	A219-C348 HydrophobicContact CB-CB 3.87Å; A219-C348 WeakPolarHBondContact O-CB 3.44Å; A219-C348 PolarHBondContact O-N 3.45Å; Y221-C348 HydrophobicContact CD2-CB 4.37Å; Y221-C348 HydrophobicContact CE2-CB 3.97Å; Q346-C348 PolarHBondContact O-N 2.87Å
349	I	87.2	Confident	90.4	Very high	103 Å²	103	53.5 Å²	53.5	53%	0.528	29%	0.285	S	S	.	.			trans	-93.3	-22.7	178.2	-59.3	174.2	0	0	0	111	R347 A599	R347-I349 PolarHBondContact O-N 3.49Å; I349-A599 HydrophobicContact CG2-CB 3.28Å
350	K	86.1	Confident	90.2	Very high	63 Å²	63	55.1 Å²	55.1	27%	0.274	29%	0.293	S	S	.	.	S	Bend	trans	-66.8	149.8	178.9	-64.1	178.7	-172.7	168.3	0	110	K256 E257 K259 L352	K256-K350 PolarHBondContact O-NZ 2.9Å; E257-K350 VanDerWaalsContact C-NZ 3.32Å; E257-K350 PolarHBondContact O-NZ 2.85Å; K259-K350 PolarHBondContact O-NZ 3.48Å; K350-L352 PolarHBondContact O-N 2.85Å
351	K	85.8	Confident	89.8	Confident	165 Å²	165	59.3 Å²	59.3	72%	0.717	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-62.6	131.4	176.9	-168.6	-178.3	175.8	-179.8	0	109.4
352	L	88.8	Confident	89.4	Confident	24 Å²	24	65 Å²	65	13%	0.126	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.6	149.3	172.1	-62.7	-177.3	0	0	0	110.6	L188 A219 K350 Q356 M360	L188-L352 HydrophobicContact CD1-CD1 4.42Å; L188-L352 HydrophobicContact CD1-CD2 4.48Å; A219-L352 HydrophobicContact CB-CD1 4.27Å; A219-L352 HydrophobicContact CB-CD2 3.91Å; K350-L352 PolarHBondContact O-N 2.85Å; L352-Q356 HydrophobicContact CB-CB 3.93Å; L352-Q356 HydrophobicContact CD2-CB 4.37Å; L352-M360 HydrophobicContact CD1-CB 4.43Å; L352-M360 HydrophobicContact CD1-SD 3.49Å; L352-M360 WeakPolarHBondContact CD1-SD 3.41Å
353	T	88.4	Confident	88.9	Confident	72 Å²	72	65.7 Å²	65.7	44%	0.442	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.5	164.7	170.3	69	0	0	0	0	110.3	N355 Q356 T357	T353-N355 PolarHBondContact O-N 2.78Å; T353-Q356 PolarHBondContact O-N 2.83Å; T353-Q356 WeakPolarHBondContact OG1-CB 3.42Å; T353-Q356 VanDerWaalsContact OG1-CG 3.26Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.33Å; T353-Q356 PolarHBondContact OG1-N 2.81Å; T353-Q356 PolarHBondContact OG1-OE1 2.8Å; T353-T357 WeakPolarHBondContact O-CB 3.29Å; T353-T357 PolarHBondContact O-N 3.03Å; T353-T357 PolarHBondContact O-OG1 3.04Å
354	D	85.8	Confident	88.5	Confident	86 Å²	86	66.8 Å²	66.8	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-36.4	179.7	-59.9	-16.4	0	0	0	110.9	T357 S358 K521	D354-T357 PolarHBondContact O-N 2.9Å; D354-S358 WeakPolarHBondContact O-CB 3.45Å; D354-S358 PolarHBondContact O-N 2.85Å; D354-K521 IonicContact OD1-NZ 2.77Å; D354-K521 PolarHBondContact OD1-NZ 3.34Å; D354-K521 IonicContact OD2-NZ 3.14Å; D354-K521 PolarHBondContact OD2-NZ 3.29Å
355	N	87.4	Confident	88.4	Confident	130 Å²	130	65 Å²	65	70%	0.695	34%	0.342	S	S	*	.	H	α-helix	trans	-66	-50.2	174.6	-70.6	-6.3	0	0	0	111.7	T353 T357 S358 T359	T353-N355 PolarHBondContact O-N 2.78Å; N355-T357 VanDerWaalsContact C-N 3.27Å; N355-T357 PolarHBondContact O-N 2.61Å; N355-S358 WeakPolarHBondContact O-CB 3.45Å; N355-S358 PolarHBondContact O-N 3.27Å; N355-S358 VanDerWaalsContact O-N 3.14Å; N355-T359 PolarHBondContact O-N 2.95Å; N355-T359 PolarHBondContact O-OG1 2.89Å
356	Q	91.5	Very high	88.5	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.056	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-40.4	176	-74.9	168.9	-13.6	0	0	111.8	L188 G189 L352 T353 T359 M360	L188-Q356 HydrophobicContact CB-CB 4.49Å; L188-Q356 HydrophobicContact CB-CG 4.15Å; L188-Q356 VanDerWaalsContact O-CG 3.25Å; L188-Q356 WeakPolarHBondContact O-CG 3.47Å; G189-Q356 PolarHBondContact O-NE2 3.39Å; L352-Q356 HydrophobicContact CB-CB 3.93Å; L352-Q356 HydrophobicContact CD2-CB 4.37Å; T353-Q356 PolarHBondContact O-N 2.83Å; T353-Q356 WeakPolarHBondContact OG1-CB 3.42Å; T353-Q356 VanDerWaalsContact OG1-CG 3.26Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.33Å; T353-Q356 PolarHBondContact OG1-N 2.81Å; T353-Q356 PolarHBondContact OG1-OE1 2.8Å; Q356-T359 PolarHBondContact O-N 3.23Å; Q356-M360 VanDerWaalsContact O-CB 3.3Å; Q356-M360 WeakPolarHBondContact O-CB 3.26Å; Q356-M360 PolarHBondContact O-N 3.18Å
357	T	89.5	Confident	88.6	Confident	53 Å²	53	67.8 Å²	67.8	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-42.6	177.1	-55.9	0	0	0	0	110.9	T353 D354 N355 M360 I361	T353-T357 WeakPolarHBondContact O-CB 3.29Å; T353-T357 PolarHBondContact O-N 3.03Å; T353-T357 PolarHBondContact O-OG1 3.04Å; D354-T357 PolarHBondContact O-N 2.9Å; N355-T357 VanDerWaalsContact C-N 3.27Å; N355-T357 PolarHBondContact O-N 2.61Å; T357-M360 PolarHBondContact O-N 3.49Å; T357-I361 HydrophobicContact CG2-CD1 3.91Å; T357-I361 WeakPolarHBondContact O-CB 3.08Å; T357-I361 VanDerWaalsContact O-CG1 3.23Å; T357-I361 WeakPolarHBondContact O-CG1 3.25Å; T357-I361 PolarHBondContact O-N 3.45Å
358	S	87.4	Confident	88.8	Confident	54 Å²	54	62.1 Å²	62.1	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-47.8	175.1	-174.6	0	0	0	0	111.7	D354 N355 I361 K362	D354-S358 WeakPolarHBondContact O-CB 3.45Å; D354-S358 PolarHBondContact O-N 2.85Å; N355-S358 WeakPolarHBondContact O-CB 3.45Å; N355-S358 PolarHBondContact O-N 3.27Å; N355-S358 VanDerWaalsContact O-N 3.14Å; S358-I361 PolarHBondContact O-N 3.28Å; S358-K362 WeakPolarHBondContact O-CG 3.5Å; S358-K362 PolarHBondContact O-N 2.75Å
359	T	89.9	Confident	89	Confident	61 Å²	61	63.2 Å²	63.2	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-45	176.5	-55.2	0	0	0	0	111.5	L188 N355 Q356 I361 K362 A363	L188-T359 HydrophobicContact CD2-CG2 4Å; N355-T359 PolarHBondContact O-N 2.95Å; N355-T359 PolarHBondContact O-OG1 2.89Å; Q356-T359 PolarHBondContact O-N 3.23Å; T359-I361 PolarHBondContact O-N 3.43Å; T359-K362 PolarHBondContact O-N 3.29Å; T359-A363 WeakPolarHBondContact O-CB 3.39Å; T359-A363 PolarHBondContact O-N 2.97Å
360	M	90.6	Very high	89.4	Confident	38 Å²	38	62.4 Å²	62.4	19%	0.187	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-45.1	176.7	-174.9	-178.7	-180	0	0	111.7	L188 V194 A217 L352 Q356 T357 K362 A363 T364	L188-M360 HydrophobicContact CD2-CB 3.96Å; V194-M360 HydrophobicContact CG2-CG 4.48Å; A217-M360 VanDerWaalsContact O-CE 3.26Å; A217-M360 WeakPolarHBondContact O-CE 3.5Å; L352-M360 HydrophobicContact CD1-CB 4.43Å; L352-M360 HydrophobicContact CD1-SD 3.49Å; L352-M360 WeakPolarHBondContact CD1-SD 3.41Å; Q356-M360 VanDerWaalsContact O-CB 3.3Å; Q356-M360 WeakPolarHBondContact O-CB 3.26Å; Q356-M360 PolarHBondContact O-N 3.18Å; T357-M360 PolarHBondContact O-N 3.49Å; M360-K362 VanDerWaalsContact C-N 3.35Å; M360-K362 PolarHBondContact O-N 3.43Å; M360-A363 PolarHBondContact O-N 2.88Å; M360-T364 HydrophobicContact CG-CG2 4.42Å; M360-T364 WeakPolarHBondContact O-CB 3.38Å; M360-T364 VanDerWaalsContact O-CG2 3.25Å; M360-T364 WeakPolarHBondContact O-CG2 3.34Å; M360-T364 PolarHBondContact O-N 3.18Å; M360-T364 PolarHBondContact O-OG1 3.12Å
361	I	87.3	Confident	89.8	Confident	87 Å²	87	61 Å²	61	45%	0.446	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.3	-70.8	167.5	0	0	0	110.6	T357 S358 T359 T364 A365	T357-I361 HydrophobicContact CG2-CD1 3.91Å; T357-I361 WeakPolarHBondContact O-CB 3.08Å; T357-I361 VanDerWaalsContact O-CG1 3.23Å; T357-I361 WeakPolarHBondContact O-CG1 3.25Å; T357-I361 PolarHBondContact O-N 3.45Å; S358-I361 PolarHBondContact O-N 3.28Å; T359-I361 PolarHBondContact O-N 3.43Å; I361-T364 PolarHBondContact O-N 2.97Å; I361-A365 WeakPolarHBondContact O-CB 3.4Å; I361-A365 PolarHBondContact O-N 2.81Å
362	K	86.5	Confident	90.4	Very high	158 Å²	158	54.7 Å²	54.7	69%	0.687	30%	0.298	S	S	*	.	H	α-helix	trans	-63.6	-42.7	177.9	-72.5	175.8	-177.6	-176.9	0	112.3	S358 T359 M360 T364	S358-K362 WeakPolarHBondContact O-CG 3.5Å; S358-K362 PolarHBondContact O-N 2.75Å; T359-K362 PolarHBondContact O-N 3.29Å; M360-K362 VanDerWaalsContact C-N 3.35Å; M360-K362 PolarHBondContact O-N 3.43Å; K362-T364 VanDerWaalsContact C-N 3.31Å; K362-T364 PolarHBondContact O-N 3.42Å
363	A	84.4	Confident	90.7	Very high	17 Å²	17	57.4 Å²	57.4	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-33	179.8	0	0	0	0	0	112.7	T359 M360 R366	T359-A363 WeakPolarHBondContact O-CB 3.39Å; T359-A363 PolarHBondContact O-N 2.97Å; M360-A363 PolarHBondContact O-N 2.88Å; A363-R366 PolarHBondContact O-NH1 3.34Å
364	T	86.8	Confident	90.9	Very high	35 Å²	35	56.6 Å²	56.6	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-106.7	-9.4	-169.7	62.5	0	0	0	0	114.4	V194 F196 A217 M360 I361 K362 R366	V194-T364 HydrophobicContact CG1-CG2 4.12Å; F196-T364 HydrophobicContact CE1-CG2 4Å; F196-T364 HydrophobicContact CZ-CG2 4.23Å; A217-T364 HydrophobicContact CB-CG2 3.33Å; M360-T364 HydrophobicContact CG-CG2 4.42Å; M360-T364 WeakPolarHBondContact O-CB 3.38Å; M360-T364 VanDerWaalsContact O-CG2 3.25Å; M360-T364 WeakPolarHBondContact O-CG2 3.34Å; M360-T364 PolarHBondContact O-N 3.18Å; M360-T364 PolarHBondContact O-OG1 3.12Å; I361-T364 PolarHBondContact O-N 2.97Å; K362-T364 VanDerWaalsContact C-N 3.31Å; K362-T364 PolarHBondContact O-N 3.42Å; T364-R366 PolarHBondContact O-N 3.11Å
365	A	86.9	Confident	91.4	Very high	37 Å²	37	52.5 Å²	52.5	31%	0.306	28%	0.279	S	S	.	.			trans	-66.8	117.3	175.2	0	0	0	0	0	109.7	I361	I361-A365 WeakPolarHBondContact O-CB 3.4Å; I361-A365 PolarHBondContact O-N 2.81Å
366	R	91.6	Very high	91.7	Very high	73 Å²	73	47 Å²	47	28%	0.275	25%	0.251	S	S	.	.			trans	-125.5	139	175.6	-65.6	-65	-175.1	-93.9	-2.3	109.1	A363 T364 D370 R371 E374 G754 T755	A363-R366 PolarHBondContact O-NH1 3.34Å; T364-R366 PolarHBondContact O-N 3.11Å; R366-D370 HydrophobicContact CB-CB 4.33Å; R366-R371 HydrophobicContact CB-CB 4.25Å; R366-E374 WeakPolarHBondContact CD-OE1 3.35Å; R366-E374 IonicContact CZ-OE1 2.9Å; R366-E374 IonicContact NE-OE1 2.69Å; R366-E374 PolarHBondContact NE-OE1 2.88Å; R366-G754 CarbonylContact O-C 3.54Å; R366-G754 WeakPolarHBondContact O-CA 3.48Å; R366-T755 PolarHBondContact O-N 2.88Å; R366-T755 PolarHBondContact O-OG1 3.11Å
367	S	95.1	Very high	91.8	Very high	26 Å²	26	53.2 Å²	53.2	18%	0.182	27%	0.274	C	S	.	.			trans	-61.6	163.5	173.1	76	0	0	0	0	110.1	P369 D370 R371 T755	S367-P369 WeakPolarHBondContact OG-CD 3.44Å; S367-D370 WeakPolarHBondContact CB-OD2 3.16Å; S367-D370 PolarHBondContact N-OD2 2.96Å; S367-D370 PolarHBondContact O-N 2.91Å; S367-D370 PolarHBondContact OG-N 3.12Å; S367-D370 PolarHBondContact OG-OD2 3.02Å; S367-R371 WeakPolarHBondContact O-CB 3.11Å; S367-R371 PolarHBondContact O-N 3.13Å; S367-T755 PolarHBondContact O-OG1 2.84Å
368	A	96	Very high	91.9	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-44.9	176.8	0	0	0	0	0	112.4	R371 Q372 F712 S723 G724 T755	A368-R371 PolarHBondContact O-N 2.75Å; A368-Q372 WeakPolarHBondContact O-CB 3.46Å; A368-Q372 PolarHBondContact O-N 2.8Å; A368-F712 HydrophobicContact CB-CD1 4.11Å; A368-F712 HydrophobicContact CB-CE1 4.4Å; A368-F712 WeakPolarHBondContact O-CD1 3.35Å; A368-F712 WeakPolarHBondContact O-CE1 3.18Å; A368-S723 PolarHBondContact N-O 2.97Å; A368-G724 WeakPolarHBondContact CB-O 3.23Å; A368-T755 HydrophobicContact CB-CG2 3.95Å
369	P	96.6	Very high	92	Very high	31 Å²	31	50.3 Å²	50.3	20%	0.201	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-43.4	173.8	-25.4	35.1	0	0	0	114.1	S367 R371 Q372 E373 S723	S367-P369 WeakPolarHBondContact OG-CD 3.44Å; P369-R371 PolarHBondContact O-N 3.43Å; P369-Q372 WeakPolarHBondContact O-CB 3.46Å; P369-Q372 PolarHBondContact O-N 3.11Å; P369-E373 PolarHBondContact O-N 2.85Å; P369-S723 WeakPolarHBondContact CD-O 3.39Å
370	D	95.4	Very high	92.1	Very high	86 Å²	86	54 Å²	54	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-43.1	-179.6	-56.9	-33	0	0	0	111	R366 S367 Q372 E373 E374	R366-D370 HydrophobicContact CB-CB 4.33Å; S367-D370 WeakPolarHBondContact CB-OD2 3.16Å; S367-D370 PolarHBondContact N-OD2 2.96Å; S367-D370 PolarHBondContact O-N 2.91Å; S367-D370 PolarHBondContact OG-N 3.12Å; S367-D370 PolarHBondContact OG-OD2 3.02Å; D370-Q372 VanDerWaalsContact C-N 3.33Å; D370-Q372 PolarHBondContact O-N 3.4Å; D370-E373 PolarHBondContact O-N 2.88Å; D370-E374 WeakPolarHBondContact O-CG 3.34Å; D370-E374 PolarHBondContact O-N 3.02Å
371	R	95.3	Very high	91.9	Very high	35 Å²	35	56.3 Å²	56.3	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-38.6	177.2	-167.1	-177.8	-172.4	105	-2	111.7	D214 V215 R366 S367 A368 P369 E373 E374 I375 F712 T755	D214-R371 IonicContact OD1-CZ 3.52Å; D214-R371 IonicContact OD1-NE 3.56Å; D214-R371 PolarHBondContact OD1-NE 2.92Å; D214-R371 IonicContact OD1-NH2 3.74Å; D214-R371 PolarHBondContact OD1-NH2 3.3Å; D214-R371 IonicContact OD2-CZ 3.16Å; D214-R371 IonicContact OD2-NE 3.95Å; D214-R371 IonicContact OD2-NH2 3.72Å; D214-R371 PolarHBondContact OD2-NH2 3.27Å; V215-R371 HydrophobicContact CG2-CG 3.62Å; V215-R371 PolarHBondContact O-NH2 2.8Å; R366-R371 HydrophobicContact CB-CB 4.25Å; S367-R371 WeakPolarHBondContact O-CB 3.11Å; S367-R371 PolarHBondContact O-N 3.13Å; A368-R371 PolarHBondContact O-N 2.75Å; P369-R371 PolarHBondContact O-N 3.43Å; R371-E373 VanDerWaalsContact C-N 3.33Å; R371-E374 PolarHBondContact O-N 3.01Å; R371-I375 HydrophobicContact CG-CD1 4.08Å; R371-I375 VanDerWaalsContact O-CG1 3.24Å; R371-I375 WeakPolarHBondContact O-CG1 3.34Å; R371-I375 PolarHBondContact O-N 3.45Å; R371-F712 HydrophobicContact CB-CE1 4.45Å; R371-T755 WeakPolarHBondContact CB-OG1 3.43Å; R371-T755 WeakPolarHBondContact CD-OG1 3.12Å
372	Q	96.5	Very high	91.8	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-46.4	175.4	-175.9	-169.9	-20.4	0	0	110.8	A368 P369 D370 I375 S376 M401 F712	A368-Q372 WeakPolarHBondContact O-CB 3.46Å; A368-Q372 PolarHBondContact O-N 2.8Å; P369-Q372 WeakPolarHBondContact O-CB 3.46Å; P369-Q372 PolarHBondContact O-N 3.11Å; D370-Q372 VanDerWaalsContact C-N 3.33Å; D370-Q372 PolarHBondContact O-N 3.4Å; Q372-I375 PolarHBondContact O-N 2.85Å; Q372-S376 WeakPolarHBondContact O-CB 3.44Å; Q372-S376 PolarHBondContact O-N 2.86Å; Q372-S376 PolarHBondContact O-OG 3.03Å; Q372-M401 HydrophobicContact CG-CE 3.96Å; Q372-M401 HydrophobicContact CG-SD 3.9Å; Q372-F712 HydrophobicContact CB-CD1 3.76Å; Q372-F712 HydrophobicContact CB-CD2 4.2Å; Q372-F712 HydrophobicContact CB-CE1 3.83Å; Q372-F712 HydrophobicContact CB-CE2 4.25Å; Q372-F712 HydrophobicContact CB-CG 3.95Å; Q372-F712 HydrophobicContact CB-CZ 4.08Å; Q372-F712 HydrophobicContact CG-CB 4.39Å; Q372-F712 HydrophobicContact CG-CD1 4.33Å; Q372-F712 HydrophobicContact CG-CD2 4Å; Q372-F712 HydrophobicContact CG-CE2 4.34Å; Q372-F712 HydrophobicContact CG-CG 3.99Å
373	E	95.5	Very high	91.9	Very high	81 Å²	81	50.5 Å²	50.5	38%	0.379	26%	0.262	S	S	.	.	H	α-helix	trans	-67.8	-41.8	178.9	-174.9	56.6	-148.3	0	0	111.7	P369 D370 R371 I375 S376 R377	P369-E373 PolarHBondContact O-N 2.85Å; D370-E373 PolarHBondContact O-N 2.88Å; R371-E373 VanDerWaalsContact C-N 3.33Å; E373-I375 VanDerWaalsContact C-N 3.35Å; E373-I375 PolarHBondContact O-N 3.25Å; E373-S376 PolarHBondContact O-N 3.2Å; E373-R377 WeakPolarHBondContact O-CB 3.42Å; E373-R377 PolarHBondContact O-N 3.48Å
374	E	93.6	Very high	91.9	Very high	54 Å²	54	50.5 Å²	50.5	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-43.9	175	-75.2	178.7	176.3	0	0	111.9	V215 R366 D370 R371 L378	V215-E374 HydrophobicContact CG1-CB 4.07Å; R366-E374 WeakPolarHBondContact CD-OE1 3.35Å; R366-E374 IonicContact CZ-OE1 2.9Å; R366-E374 IonicContact NE-OE1 2.69Å; R366-E374 PolarHBondContact NE-OE1 2.88Å; D370-E374 WeakPolarHBondContact O-CG 3.34Å; D370-E374 PolarHBondContact O-N 3.02Å; R371-E374 PolarHBondContact O-N 3.01Å; E374-L378 VanDerWaalsContact O-CB 3.28Å; E374-L378 WeakPolarHBondContact O-CB 3.08Å; E374-L378 PolarHBondContact O-N 2.99Å
375	I	95.3	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-44.9	176.3	-66.1	165.4	0	0	0	110.8	N30 F32 I213 V215 R371 Q372 E373 R377 L378 V379 M401 F712	N30-I375 HydrophobicContact CB-CD1 4.09Å; N30-I375 HydrophobicContact CB-CG2 4.34Å; F32-I375 HydrophobicContact CE2-CG2 3.98Å; F32-I375 HydrophobicContact CZ-CG2 3.93Å; I213-I375 HydrophobicContact CG2-CG2 4.33Å; V215-I375 HydrophobicContact CG1-CG1 3.97Å; V215-I375 HydrophobicContact CG2-CG1 4.3Å; R371-I375 HydrophobicContact CG-CD1 4.08Å; R371-I375 VanDerWaalsContact O-CG1 3.24Å; R371-I375 WeakPolarHBondContact O-CG1 3.34Å; R371-I375 PolarHBondContact O-N 3.45Å; Q372-I375 PolarHBondContact O-N 2.85Å; E373-I375 VanDerWaalsContact C-N 3.35Å; E373-I375 PolarHBondContact O-N 3.25Å; I375-R377 VanDerWaalsContact C-N 3.34Å; I375-R377 PolarHBondContact O-N 3.03Å; I375-L378 WeakPolarHBondContact O-CB 3.19Å; I375-L378 PolarHBondContact O-N 3.17Å; I375-V379 PolarHBondContact O-N 2.81Å; I375-M401 HydrophobicContact CB-CE 3.73Å; I375-M401 HydrophobicContact CD1-CE 4.42Å; I375-M401 HydrophobicContact CG2-CE 3.57Å; I375-F712 HydrophobicContact CD1-CE2 4.44Å; I375-F712 HydrophobicContact CD1-CZ 4.08Å
376	S	94.6	Very high	91.9	Very high	15 Å²	15	56 Å²	56	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-43.4	-179.6	-55.2	0	0	0	0	111.2	Q372 E373 V379 R380	Q372-S376 WeakPolarHBondContact O-CB 3.44Å; Q372-S376 PolarHBondContact O-N 2.86Å; Q372-S376 PolarHBondContact O-OG 3.03Å; E373-S376 PolarHBondContact O-N 3.2Å; S376-V379 PolarHBondContact O-N 3.28Å; S376-R380 WeakPolarHBondContact O-CG 3.44Å; S376-R380 PolarHBondContact O-N 2.85Å; S376-R380 VanDerWaalsContact O-N 3.1Å
377	R	93.3	Very high	91.9	Very high	142 Å²	142	53 Å²	53	54%	0.536	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-43.1	174.5	-172.2	-175.6	-56.3	141.7	7	111.8	E373 I375 R380 S381	E373-R377 WeakPolarHBondContact O-CB 3.42Å; E373-R377 PolarHBondContact O-N 3.48Å; I375-R377 VanDerWaalsContact C-N 3.34Å; I375-R377 PolarHBondContact O-N 3.03Å; R377-R380 PolarHBondContact O-N 2.8Å; R377-S381 WeakPolarHBondContact O-CB 3.33Å; R377-S381 PolarHBondContact O-N 3.38Å; R377-S381 PolarHBondContact O-OG 3.48Å
378	L	91.3	Very high	91.8	Very high	40 Å²	40	54.5 Å²	54.5	21%	0.209	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-48.9	178.1	176.9	76.1	0	0	0	111	F198 I213 V215 E374 I375 S381 A382	F198-L378 HydrophobicContact CB-CD2 3.31Å; F198-L378 HydrophobicContact CB-CG 4.48Å; F198-L378 HydrophobicContact CD1-CD1 4.09Å; F198-L378 HydrophobicContact CD1-CD2 4.26Å; F198-L378 HydrophobicContact CD2-CD2 4.41Å; F198-L378 HydrophobicContact CG-CD1 4.44Å; F198-L378 HydrophobicContact CG-CD2 3.78Å; I213-L378 HydrophobicContact CG2-CD2 3.62Å; V215-L378 HydrophobicContact CG1-CD2 4.46Å; E374-L378 VanDerWaalsContact O-CB 3.28Å; E374-L378 WeakPolarHBondContact O-CB 3.08Å; E374-L378 PolarHBondContact O-N 2.99Å; I375-L378 WeakPolarHBondContact O-CB 3.19Å; I375-L378 PolarHBondContact O-N 3.17Å; L378-S381 WeakPolarHBondContact CA-OG 3.38Å; L378-S381 PolarHBondContact O-N 3.26Å; L378-S381 PolarHBondContact O-OG 3.3Å; L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.33Å
379	V	90.4	Very high	91.7	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-44.2	-179.9	174.2	0	0	0	0	111.5	F32 I213 I375 S376 S381 A382 N383 D399	F32-V379 HydrophobicContact CD1-CG1 3.98Å; F32-V379 HydrophobicContact CD1-CG2 4.36Å; F32-V379 HydrophobicContact CD2-CG2 4.1Å; F32-V379 HydrophobicContact CE1-CB 4.11Å; F32-V379 HydrophobicContact CE1-CG1 3.98Å; F32-V379 HydrophobicContact CE1-CG2 3.91Å; F32-V379 HydrophobicContact CE2-CG2 3.65Å; F32-V379 HydrophobicContact CG-CG1 4.46Å; F32-V379 HydrophobicContact CG-CG2 4.45Å; F32-V379 HydrophobicContact CZ-CB 4.18Å; F32-V379 HydrophobicContact CZ-CG1 4.47Å; F32-V379 HydrophobicContact CZ-CG2 3.54Å; I213-V379 HydrophobicContact CB-CG2 4.16Å; I213-V379 HydrophobicContact CG1-CG2 4.1Å; I213-V379 HydrophobicContact CG2-CG2 4.04Å; I375-V379 PolarHBondContact O-N 2.81Å; S376-V379 PolarHBondContact O-N 3.28Å; V379-S381 VanDerWaalsContact C-N 3.33Å; V379-S381 PolarHBondContact O-N 2.87Å; V379-A382 PolarHBondContact O-N 3.23Å; V379-N383 PolarHBondContact O-N 2.91Å; V379-D399 HydrophobicContact CG1-CB 4.48Å
380	R	90.4	Very high	91.5	Very high	138 Å²	138	54.2 Å²	54.2	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-59.2	-42.4	173.9	-68.9	-176.2	-132.7	137.4	3.8	112.2	S376 R377 N383	S376-R380 WeakPolarHBondContact O-CG 3.44Å; S376-R380 PolarHBondContact O-N 2.85Å; S376-R380 VanDerWaalsContact O-N 3.1Å; R377-R380 PolarHBondContact O-N 2.8Å; R380-N383 PolarHBondContact O-N 3.09Å
381	S	87.6	Confident	91.4	Very high	86 Å²	86	55.7 Å²	55.7	60%	0.601	28%	0.281	S	S	*	.	H	α-helix	trans	-72.4	-27	178.6	69.2	0	0	0	0	114.4	R377 L378 V379 N383	R377-S381 WeakPolarHBondContact O-CB 3.33Å; R377-S381 PolarHBondContact O-N 3.38Å; R377-S381 PolarHBondContact O-OG 3.48Å; L378-S381 WeakPolarHBondContact CA-OG 3.38Å; L378-S381 PolarHBondContact O-N 3.26Å; L378-S381 PolarHBondContact O-OG 3.3Å; V379-S381 VanDerWaalsContact C-N 3.33Å; V379-S381 PolarHBondContact O-N 2.87Å; S381-N383 PolarHBondContact O-N 3.07Å
382	A	85.7	Confident	91.4	Very high	43 Å²	43	56.5 Å²	56.5	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-69.6	-28.1	177.5	0	0	0	0	0	111.3	L378 V379 Y384	L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.33Å; V379-A382 PolarHBondContact O-N 3.23Å; A382-Y384 HydrophobicContact CB-CD2 4.18Å; A382-Y384 HydrophobicContact CB-CE2 3.87Å; A382-Y384 PolarHBondContact O-N 3.41Å
383	N	86.8	Confident	91.3	Very high	80 Å²	80	55 Å²	55	43%	0.428	28%	0.279	S	S	.	.			trans	43.7	60	175.8	-166.5	15.6	0	0	0	112.5	V379 R380 S381 E385 S386	V379-N383 PolarHBondContact O-N 2.91Å; R380-N383 PolarHBondContact O-N 3.09Å; S381-N383 PolarHBondContact O-N 3.07Å; N383-E385 PolarHBondContact O-N 3.42Å; N383-S386 WeakPolarHBondContact ND2-CB 3.37Å; N383-S386 PolarHBondContact ND2-OG 3.36Å; N383-S386 PolarHBondContact O-N 3.4Å; N383-S386 PolarHBondContact O-OG 3.31Å
384	Y	86.1	Confident	91.2	Very high	17 Å²	17	57.4 Å²	57.4	7%	0.067	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-55.2	-25.6	-176.6	-74.2	-79.2	0	0	0	113.2	L162 Q200 L211 A382 S386 D387 V397	L162-Y384 HydrophobicContact CD2-CD1 4.45Å; Q200-Y384 PolarHBondContact OE1-OH 3.14Å; L211-Y384 HydrophobicContact CD2-CD2 4.47Å; L211-Y384 HydrophobicContact CD2-CE1 4.29Å; L211-Y384 HydrophobicContact CD2-CE2 3.89Å; A382-Y384 HydrophobicContact CB-CD2 4.18Å; A382-Y384 HydrophobicContact CB-CE2 3.87Å; A382-Y384 PolarHBondContact O-N 3.41Å; Y384-S386 PolarHBondContact O-N 3.21Å; Y384-D387 WeakPolarHBondContact O-CB 3.29Å; Y384-D387 PolarHBondContact O-N 3.17Å; Y384-V397 HydrophobicContact CD2-CB 4.46Å; Y384-V397 HydrophobicContact CD2-CG1 4.19Å; Y384-V397 HydrophobicContact CG-CB 4.37Å; Y384-V397 HydrophobicContact CG-CG2 4.3Å
385	E	82.9	Confident	91.2	Very high	123 Å²	123	55.3 Å²	55.3	58%	0.575	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.1	175.3	-62	-166.7	158.7	0	0	113.3	N383 Q391	N383-E385 PolarHBondContact O-N 3.42Å; E385-Q391 WeakPolarHBondContact O-CG 3.17Å; E385-Q391 PolarHBondContact O-NE2 2.94Å
386	S	89.3	Confident	91.1	Very high	66 Å²	66	63.2 Å²	63.2	46%	0.462	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-90.2	-4.3	175.6	69.1	0	0	0	0	114	N383 Y384 P388	N383-S386 WeakPolarHBondContact ND2-CB 3.37Å; N383-S386 PolarHBondContact ND2-OG 3.36Å; N383-S386 PolarHBondContact O-N 3.4Å; N383-S386 PolarHBondContact O-OG 3.31Å; Y384-S386 PolarHBondContact O-N 3.21Å; S386-P388 WeakPolarHBondContact O-CD 3.21Å
387	D	91.8	Very high	91	Very high	10 Å²	10	63 Å²	63	5%	0.053	31%	0.308	C	S	.	.			trans	-73.6	116.6	177.7	-177	-29.4	0	0	0	109.3	L165 Y384 F389 V390 Q391	L165-D387 WeakPolarHBondContact CB-OD2 3.24Å; L165-D387 HydrophobicContact CD2-CB 4.2Å; L165-D387 VanDerWaalsContact CD2-CG 3.49Å; L165-D387 WeakPolarHBondContact CD2-OD2 3.35Å; Y384-D387 WeakPolarHBondContact O-CB 3.29Å; Y384-D387 PolarHBondContact O-N 3.17Å; D387-F389 PolarHBondContact O-N 2.9Å; D387-F389 WeakPolarHBondContact OD1-CB 3.48Å; D387-F389 WeakPolarHBondContact OD1-CD2 3.25Å; D387-F389 PolarHBondContact OD1-N 3.39Å; D387-V390 HydrophobicContact CB-CB 3.9Å; D387-V390 HydrophobicContact CB-CG2 3.66Å; D387-V390 WeakPolarHBondContact O-CB 3.46Å; D387-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact OD1-N 3.19Å; D387-Q391 WeakPolarHBondContact O-CG 3.49Å; D387-Q391 PolarHBondContact O-N 2.98Å
388	P	93.3	Very high	90.9	Very high	57 Å²	57	62 Å²	62	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-28.7	-174.1	27.3	-35.7	0	0	0	112.4	L78 S386 E392	L78-P388 HydrophobicContact CD1-CB 3.87Å; S386-P388 WeakPolarHBondContact O-CD 3.21Å; P388-E392 WeakPolarHBondContact O-CB 3.45Å; P388-E392 PolarHBondContact O-N 2.76Å
389	F	93.6	Very high	90.9	Very high	26 Å²	26	64.5 Å²	64.5	11%	0.114	32%	0.318	C	S	.	.	H	α-helix	trans	-75.7	-31.3	176.1	-58.8	-84.3	0	0	0	111.5	L78 V80 H164 L165 M168 D387 F393	L78-F389 HydrophobicContact CB-CD1 3.9Å; L78-F389 HydrophobicContact CB-CE1 4.04Å; V80-F389 HydrophobicContact CG1-CB 3.92Å; V80-F389 HydrophobicContact CG1-CD1 3.79Å; V80-F389 HydrophobicContact CG1-CG 4.19Å; H164-F389 AromaticContact CD2-CD1 3.55Å; H164-F389 AromaticContact CD2-CD2 3.81Å; H164-F389 AromaticContact CD2-CE1 3.39Å; H164-F389 WeakPolarHBondContact CD2-CE1 3.36Å; H164-F389 AromaticContact CD2-CE2 3.68Å; H164-F389 AromaticContact CD2-CG 3.75Å; H164-F389 AromaticContact CD2-CZ 3.46Å; H164-F389 VanDerWaalsContact CD2-CZ 3.46Å; H164-F389 WeakPolarHBondContact CD2-CZ 3.42Å; H164-F389 AromaticContact NE2-CE1 3.56Å; H164-F389 AromaticContact NE2-CZ 3.63Å; L165-F389 HydrophobicContact CB-CD2 4.11Å; L165-F389 HydrophobicContact CB-CE2 4.46Å; L165-F389 HydrophobicContact CD1-CE2 4.35Å; M168-F389 HydrophobicContact CE-CE2 3.82Å; M168-F389 HydrophobicContact CE-CZ 3.91Å; D387-F389 PolarHBondContact O-N 2.9Å; D387-F389 WeakPolarHBondContact OD1-CB 3.48Å; D387-F389 WeakPolarHBondContact OD1-CD2 3.25Å; D387-F389 PolarHBondContact OD1-N 3.39Å; F389-F393 VanDerWaalsContact O-CD2 3.27Å; F389-F393 WeakPolarHBondContact O-CD2 3.42Å; F389-F393 PolarHBondContact O-N 2.93Å
390	V	92.8	Very high	91.1	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-71.6	-38.3	174.6	177.7	0	0	0	0	110.2	L162 D387 Q394 F395	L162-V390 HydrophobicContact CD2-CG1 4.49Å; L162-V390 HydrophobicContact CD2-CG2 3.97Å; D387-V390 HydrophobicContact CB-CB 3.9Å; D387-V390 HydrophobicContact CB-CG2 3.66Å; D387-V390 WeakPolarHBondContact O-CB 3.46Å; D387-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact OD1-N 3.19Å; V390-Q394 PolarHBondContact O-N 3Å; V390-F395 HydrophobicContact CG1-CB 3.57Å; V390-F395 PolarHBondContact O-N 2.83Å
391	Q	93.8	Very high	91.4	Very high	116 Å²	116	64.9 Å²	64.9	54%	0.542	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-45	175.2	-69.7	-178.5	-9.4	0	0	112.8	E385 D387 F393 Q394	E385-Q391 WeakPolarHBondContact O-CG 3.17Å; E385-Q391 PolarHBondContact O-NE2 2.94Å; D387-Q391 WeakPolarHBondContact O-CG 3.49Å; D387-Q391 PolarHBondContact O-N 2.98Å; Q391-F393 PolarHBondContact O-N 3.29Å; Q391-Q394 WeakPolarHBondContact O-CA 3.48Å; Q391-Q394 PolarHBondContact O-N 2.79Å
392	E	94.3	Very high	91.7	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-53	-43.3	176.8	175.1	73	173.4	0	0	111.7	R77 L78 A90 P388 Q394	R77-E392 WeakPolarHBondContact CA-OE1 3.35Å; L78-E392 HydrophobicContact CB-CB 4.23Å; L78-E392 HydrophobicContact CB-CG 4.05Å; L78-E392 PolarHBondContact N-OE1 2.85Å; A90-E392 HydrophobicContact CB-CG 4.29Å; P388-E392 WeakPolarHBondContact O-CB 3.45Å; P388-E392 PolarHBondContact O-N 2.76Å; E392-Q394 VanDerWaalsContact C-N 3.3Å; E392-Q394 PolarHBondContact O-N 2.69Å
393	F	94.7	Very high	92.2	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8.7	178.7	-71.2	-96.6	0	0	0	113.4	P37 V41 V80 A90 W128 V161 F389 Q391 F395	P37-F393 VanDerWaalsContact CG-O 3.32Å; P37-F393 WeakPolarHBondContact CG-O 3.33Å; V41-F393 HydrophobicContact CG1-CD1 4.29Å; V41-F393 HydrophobicContact CG1-CE1 3.64Å; V80-F393 HydrophobicContact CB-CE2 4.47Å; V80-F393 HydrophobicContact CG1-CD2 4.47Å; V80-F393 HydrophobicContact CG1-CE2 3.81Å; V80-F393 HydrophobicContact CG1-CZ 4.46Å; V80-F393 HydrophobicContact CG2-CE2 3.96Å; V80-F393 HydrophobicContact CG2-CZ 3.77Å; A90-F393 HydrophobicContact CB-CD1 4.07Å; A90-F393 HydrophobicContact CB-CE1 4.18Å; A90-F393 HydrophobicContact CB-CG 4.42Å; W128-F393 HydrophobicContact CH2-CB 4.1Å; W128-F393 AromaticContact CH2-CD1 3.54Å; W128-F393 HydrophobicContact CH2-CD1 3.54Å; W128-F393 HydrophobicContact CH2-CE1 4.41Å; W128-F393 HydrophobicContact CH2-CG 4.22Å; W128-F393 HydrophobicContact CZ2-CD1 4.5Å; W128-F393 HydrophobicContact CZ3-CB 4.39Å; W128-F393 HydrophobicContact CZ3-CD1 4.12Å; V161-F393 HydrophobicContact CG1-CB 4.11Å; V161-F393 HydrophobicContact CG1-CD2 4.16Å; V161-F393 HydrophobicContact CG1-CG 4.19Å; V161-F393 HydrophobicContact CG2-CB 4.44Å; V161-F393 HydrophobicContact CG2-CD1 3.95Å; V161-F393 HydrophobicContact CG2-CD2 4.09Å; V161-F393 HydrophobicContact CG2-CE1 4.12Å; V161-F393 HydrophobicContact CG2-CE2 4.29Å; V161-F393 HydrophobicContact CG2-CG 3.89Å; V161-F393 HydrophobicContact CG2-CZ 4.28Å; F389-F393 VanDerWaalsContact O-CD2 3.27Å; F389-F393 WeakPolarHBondContact O-CD2 3.42Å; F389-F393 PolarHBondContact O-N 2.93Å; Q391-F393 PolarHBondContact O-N 3.29Å; F393-F395 HydrophobicContact CB-CD1 4.33Å; F393-F395 HydrophobicContact CB-CE1 4.37Å; F393-F395 VanDerWaalsContact O-CD1 3.27Å; F393-F395 WeakPolarHBondContact O-CD1 3.49Å; F393-F395 PolarHBondContact O-N 2.86Å
394	Q	93.9	Very high	92.7	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.5	175.1	-52.7	174.6	6.3	0	0	114	P37 V390 Q391 E392	P37-Q394 HydrophobicContact CG-CB 4.23Å; V390-Q394 PolarHBondContact O-N 3Å; Q391-Q394 WeakPolarHBondContact O-CA 3.48Å; Q391-Q394 PolarHBondContact O-N 2.79Å; E392-Q394 VanDerWaalsContact C-N 3.3Å; E392-Q394 PolarHBondContact O-N 2.69Å
395	F	93.5	Very high	93.2	Very high	9 Å²	9	66.8 Å²	66.8	4%	0.039	33%	0.325	C	S	.	.			trans	-81	143.9	176.1	-77.9	6.2	0	0	0	110.8	V34 I36 W128 V158 V161 L162 V390 F393	V34-F395 HydrophobicContact CG1-CD2 4.5Å; I36-F395 HydrophobicContact CB-CD1 4.48Å; I36-F395 HydrophobicContact CB-CE1 4.1Å; I36-F395 HydrophobicContact CG2-CD1 3.98Å; I36-F395 HydrophobicContact CG2-CE1 3.56Å; I36-F395 HydrophobicContact CG2-CE2 4.44Å; I36-F395 HydrophobicContact CG2-CZ 3.82Å; W128-F395 AromaticContact CE3-CE1 3.96Å; W128-F395 HydrophobicContact CE3-CE1 3.96Å; W128-F395 HydrophobicContact CE3-CZ 4.49Å; W128-F395 HydrophobicContact CH2-CD1 4.38Å; W128-F395 AromaticContact CH2-CE1 3.2Å; W128-F395 HydrophobicContact CH2-CE1 3.2Å; W128-F395 HydrophobicContact CH2-CE2 4.35Å; W128-F395 AromaticContact CH2-CZ 3.19Å; W128-F395 HydrophobicContact CH2-CZ 3.19Å; W128-F395 AromaticContact CZ2-CE1 3.86Å; W128-F395 HydrophobicContact CZ2-CE1 3.86Å; W128-F395 AromaticContact CZ2-CZ 3.44Å; W128-F395 HydrophobicContact CZ2-CZ 3.44Å; W128-F395 VanDerWaalsContact CZ2-CZ 3.44Å; W128-F395 HydrophobicContact CZ3-CD1 4.31Å; W128-F395 AromaticContact CZ3-CE1 3.29Å; W128-F395 HydrophobicContact CZ3-CE1 3.29Å; W128-F395 AromaticContact CZ3-CZ 3.8Å; W128-F395 HydrophobicContact CZ3-CZ 3.8Å; V158-F395 HydrophobicContact CB-CE2 4.33Å; V158-F395 HydrophobicContact CB-CZ 4.25Å; V158-F395 HydrophobicContact CG1-CE2 3.71Å; V158-F395 HydrophobicContact CG1-CZ 3.94Å; V158-F395 HydrophobicContact CG2-CZ 4Å; V161-F395 HydrophobicContact CB-CD2 4.42Å; V161-F395 HydrophobicContact CB-CE2 3.8Å; V161-F395 HydrophobicContact CB-CZ 4.48Å; V161-F395 HydrophobicContact CG1-CD2 3.79Å; V161-F395 HydrophobicContact CG1-CE2 3.65Å; V161-F395 HydrophobicContact CG1-CZ 4.44Å; V161-F395 HydrophobicContact CG2-CE2 4.26Å; V161-F395 HydrophobicContact CG2-CZ 4.46Å; L162-F395 HydrophobicContact CD2-CD2 4.03Å; L162-F395 HydrophobicContact CG-CD2 4.08Å; L162-F395 HydrophobicContact CG-CE2 4.27Å; V390-F395 HydrophobicContact CG1-CB 3.57Å; V390-F395 PolarHBondContact O-N 2.83Å; F393-F395 HydrophobicContact CB-CD1 4.33Å; F393-F395 HydrophobicContact CB-CE1 4.37Å; F393-F395 VanDerWaalsContact O-CD1 3.27Å; F393-F395 WeakPolarHBondContact O-CD1 3.49Å; F393-F395 PolarHBondContact O-N 2.86Å
396	R	92.5	Very high	93.9	Very high	166 Å²	166	60.9 Å²	60.9	63%	0.626	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.5	167	-58.6	-178.6	-179.7	-178.9	-2.4	109.9	V34 E35	V34-R396 WeakPolarHBondContact CA-O 3.43Å; E35-R396 HydrophobicContact CB-CB 4.2Å; E35-R396 PolarHBondContact N-O 2.91Å; E35-R396 PolarHBondContact O-N 2.91Å; E35-R396 VanDerWaalsContact O-N 3.11Å
397	V	92.3	Very high	94.3	Very high	10 Å²	10	58.8 Å²	58.8	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	179.3	-176.7	0	0	0	0	107.6	F32 V34 L162 L211 Y384	F32-V397 HydrophobicContact CB-CG1 4.28Å; V34-V397 HydrophobicContact CG1-CG2 4.48Å; V34-V397 HydrophobicContact CG2-CG2 4.41Å; L162-V397 HydrophobicContact CD2-CG2 4.04Å; L211-V397 HydrophobicContact CD2-CG1 3.81Å; Y384-V397 HydrophobicContact CD2-CB 4.46Å; Y384-V397 HydrophobicContact CD2-CG1 4.19Å; Y384-V397 HydrophobicContact CG-CB 4.37Å; Y384-V397 HydrophobicContact CG-CG2 4.3Å
398	R	92.2	Very high	94.6	Very high	123 Å²	123	59.8 Å²	59.8	46%	0.464	29%	0.286	S	S	.	.			trans	-68.2	141.9	174.2	-63.5	-166.3	-177.4	-166.1	-3.4	110.2	F32 Q33 E35	F32-R398 WeakPolarHBondContact CB-O 3.25Å; F32-R398 WeakPolarHBondContact CD1-O 3.35Å; Q33-R398 HydrophobicContact CB-CB 4.33Å; Q33-R398 HydrophobicContact CB-CG 4.1Å; Q33-R398 PolarHBondContact O-N 3.26Å; E35-R398 IonicContact OE1-CZ 3.85Å; E35-R398 IonicContact OE1-NE 2.97Å; E35-R398 PolarHBondContact OE1-NE 2.87Å; E35-R398 IonicContact OE1-NH2 3.27Å; E35-R398 PolarHBondContact OE1-NH2 2.76Å
399	D	91.4	Very high	94.8	Very high	91 Å²	91	57.3 Å²	57.3	49%	0.487	27%	0.27	S	S	.	.	S	Bend	trans	-87.6	-10.6	-179.7	64.8	-24.2	0	0	0	113.5	F32 V379	F32-D399 WeakPolarHBondContact CE1-O 3.34Å; V379-D399 HydrophobicContact CG1-CB 4.48Å
400	E	93.9	Very high	95	Very high	137 Å²	137	59.7 Å²	59.7	64%	0.64	29%	0.288	S	S	*	.	S	Bend	trans	-92.6	142.7	176	-63.3	-175	172.5	0	0	113.2	F32	F32-E400 VanDerWaalsContact CD1-O 3.25Å; F32-E400 WeakPolarHBondContact CD1-O 3.04Å
401	M	96.3	Very high	95.1	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.079	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63.1	139.4	172.2	-76.8	-171	-177.4	0	0	111.2	L28 A29 N30 F32 Q372 I375 Q403 F712	L28-M401 HydrophobicContact CB-CB 4.21Å; L28-M401 HydrophobicContact CB-SD 4.25Å; L28-M401 HydrophobicContact CD2-CB 4.43Å; A29-M401 WeakPolarHBondContact O-CB 3.22Å; A29-M401 WeakPolarHBondContact O-CG 3.48Å; N30-M401 HydrophobicContact CB-CE 4.3Å; F32-M401 HydrophobicContact CE1-CG 3.95Å; F32-M401 HydrophobicContact CE2-CG 4.5Å; F32-M401 HydrophobicContact CZ-CE 4.33Å; F32-M401 HydrophobicContact CZ-CG 3.69Å; Q372-M401 HydrophobicContact CG-CE 3.96Å; Q372-M401 HydrophobicContact CG-SD 3.9Å; I375-M401 HydrophobicContact CB-CE 3.73Å; I375-M401 HydrophobicContact CD1-CE 4.42Å; I375-M401 HydrophobicContact CG2-CE 3.57Å; M401-Q403 PolarHBondContact O-N 3.38Å; M401-F712 HydrophobicContact CE-CD2 4.42Å; M401-F712 HydrophobicContact CE-CE2 3.96Å; M401-F712 HydrophobicContact SD-CD2 3.9Å; M401-F712 HydrophobicContact SD-CE2 3.99Å
402	A	95.6	Very high	95.2	Very high	19 Å²	19	55.9 Å²	55.9	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	125.4	174.9	0	0	0	0	0	111	L28 A29 C31 M210 V404 I736	L28-A402 WeakPolarHBondContact CA-O 3.45Å; A29-A402 PolarHBondContact N-O 3.46Å; A29-A402 PolarHBondContact O-N 3.15Å; C31-A402 HydrophobicContact CB-CB 4.34Å; C31-A402 VanDerWaalsContact O-CB 3.22Å; C31-A402 WeakPolarHBondContact O-CB 3.41Å; C31-A402 PolarHBondContact O-N 2.97Å; M210-A402 HydrophobicContact CE-CB 4.35Å; A402-V404 HydrophobicContact CB-CG2 4.49Å; A402-I736 HydrophobicContact CB-CG2 4.36Å
403	Q	96.3	Very high	95.3	Very high	155 Å²	155	56 Å²	56	72%	0.724	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.4	170	-62.6	-174.5	17.5	0	0	109	L27 L28 M401	L27-Q403 WeakPolarHBondContact O-CA 3.44Å; L28-Q403 HydrophobicContact CD2-CG 3.76Å; M401-Q403 PolarHBondContact O-N 3.38Å
404	V	96.1	Very high	95.4	Very high	5 Å²	5	56 Å²	56	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.2	-176.1	-177	0	0	0	0	108.7	L27 A29 A402 V732 D735 I736	L27-V404 WeakPolarHBondContact CA-O 3.2Å; L27-V404 WeakPolarHBondContact CB-O 3.39Å; L27-V404 PolarHBondContact N-O 2.83Å; L27-V404 PolarHBondContact O-N 2.94Å; A29-V404 HydrophobicContact CB-CG2 4.11Å; A402-V404 HydrophobicContact CB-CG2 4.49Å; V404-V732 HydrophobicContact CG1-CG1 3.54Å; V404-V732 HydrophobicContact CG1-CG2 4.23Å; V404-D735 HydrophobicContact CG1-CB 4.16Å; V404-D735 HydrophobicContact CG2-CB 4.04Å; V404-I736 HydrophobicContact CG2-CG1 4.48Å; V404-I736 HydrophobicContact CG2-CG2 3.74Å
405	T	97.1	Very high	95.5	Very high	87 Å²	87	51.4 Å²	51.4	53%	0.534	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	110.4	172.6	-57.4	0	0	0	0	109.1	P24	P24-T405 HydrophobicContact CB-CG2 4.45Å
406	G	97.6	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	175	172.4	0	0	0	0	0	112.3	P24 I25 T731	P24-G406 CarbonylContact C-O 3.59Å; P24-G406 WeakPolarHBondContact CA-O 3.27Å; I25-G406 PolarHBondContact N-O 2.85Å; I25-G406 PolarHBondContact O-N 3.03Å; G406-T731 CarbonylContact C-O 3.58Å; G406-T731 VanDerWaalsContact CA-O 3.23Å; G406-T731 WeakPolarHBondContact CA-O 3.45Å
407	R	98.4	Very high	95.6	Very high	22 Å²	22	43.5 Å²	43.5	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.4	170.7	-67.8	170.7	-68.1	112.8	-1.1	110.2	G19 I21 K23 T730 T731 D733 D773	G19-R407 WeakPolarHBondContact O-CD 3.42Å; G19-R407 PolarHBondContact O-NE 2.9Å; I21-R407 WeakPolarHBondContact O-CD 3.5Å; I21-R407 PolarHBondContact O-NH1 2.92Å; K23-R407 CarbonylContact O-C 3.46Å; K23-R407 WeakPolarHBondContact O-CA 3.3Å; R407-T730 CarbonylContact O-C 3.56Å; R407-T730 WeakPolarHBondContact O-CA 3.49Å; R407-T731 PolarHBondContact N-O 2.84Å; R407-T731 PolarHBondContact O-N 3.23Å; R407-D733 IonicContact CZ-OD1 2.72Å; R407-D733 IonicContact NE-OD1 3.64Å; R407-D733 IonicContact NH2-OD1 3.01Å; R407-D733 PolarHBondContact NH2-OD1 2.78Å; R407-D733 IonicContact NH2-OD2 3.64Å; R407-D733 PolarHBondContact NH2-OD2 3.36Å; R407-D773 IonicContact NH1-OD1 3.91Å
408	V	98.1	Very high	95.4	Very high	31 Å²	31	44.6 Å²	44.6	19%	0.188	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	105.2	172.1	-173.2	0	0	0	0	108.1	G22 K23 I25 P727	G22-V408 CarbonylContact C-O 3.46Å; G22-V408 WeakPolarHBondContact CA-O 3.46Å; K23-V408 PolarHBondContact N-O 3.1Å; K23-V408 PolarHBondContact O-N 3.44Å; I25-V408 HydrophobicContact CB-CG2 4.06Å; I25-V408 HydrophobicContact CD1-CG2 4.3Å; I25-V408 HydrophobicContact CG2-CG2 3.71Å; V408-P727 HydrophobicContact CG1-CB 4.45Å; V408-P727 HydrophobicContact CG1-CG 4.32Å; V408-P727 HydrophobicContact CG2-CG 3.71Å
409	L	97.5	Very high	94.9	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.4	145	179.9	-63.6	179	0	0	0	111.4	I21 A411 G729 T731 L746 Q776 L777 Y780	I21-L409 WeakPolarHBondContact O-CD2 3Å; L409-A411 PolarHBondContact O-N 3.25Å; L409-G729 PolarHBondContact N-O 2.84Å; L409-T731 VanDerWaalsContact CD1-OG1 3.28Å; L409-T731 WeakPolarHBondContact CD1-OG1 3.41Å; L409-T731 WeakPolarHBondContact CG-OG1 3.26Å; L409-L746 HydrophobicContact CD1-CD1 4.21Å; L409-Q776 HydrophobicContact CD1-CB 4.11Å; L409-L777 HydrophobicContact CB-CD2 4.42Å; L409-L777 HydrophobicContact CD2-CD2 4.25Å; L409-Y780 HydrophobicContact CB-CD1 3.71Å; L409-Y780 HydrophobicContact CB-CE1 4.04Å; L409-Y780 HydrophobicContact CB-CG 4.49Å; L409-Y780 HydrophobicContact CD1-CD1 4.32Å; L409-Y780 HydrophobicContact CD1-CG 4.37Å
410	P	96.1	Very high	94.5	Very high	75 Å²	75	52.7 Å²	52.7	49%	0.487	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-66.1	134.5	173.2	28.6	-34.1	0	0	0	110.5	I21 L777	I21-P410 HydrophobicContact CG2-CG 4.19Å; P410-L777 HydrophobicContact CG-CD2 4.1Å
411	A	95.8	Very high	94.1	Very high	33 Å²	33	54.6 Å²	54.6	27%	0.273	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-73.6	141.9	174.2	0	0	0	0	0	110.6	L409 P426 Y780	L409-A411 PolarHBondContact O-N 3.25Å; A411-P426 HydrophobicContact CB-CB 3.88Å; A411-P426 HydrophobicContact CB-CG 4.16Å; A411-Y780 HydrophobicContact CB-CE1 4.27Å
412	P	95.7	Very high	93.9	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.032	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.9	148.6	175.3	30.1	-35.7	0	0	0	111.3	P426 L574 Q781 H784	P412-P426 WeakPolarHBondContact O-CD 3.34Å; P412-P426 VanDerWaalsContact O-CG 3.31Å; P412-P426 WeakPolarHBondContact O-CG 3.3Å; P412-L574 HydrophobicContact CB-CD2 3.8Å; P412-L574 HydrophobicContact CG-CD2 3.8Å; P412-Q781 HydrophobicContact CB-CG 3.95Å; P412-Q781 HydrophobicContact CG-CB 4.4Å; P412-Q781 HydrophobicContact CG-CG 4.07Å; P412-H784 HydrophobicContact CG-CB 3.94Å
413	M	96	Very high	93.8	Very high	56 Å²	56	57.5 Å²	57.5	28%	0.276	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-77.3	143.7	166	-63	-179.5	78.3	0	0	110.3	V423 L575 Q578	M413-V423 HydrophobicContact CB-CG1 3.67Å; M413-V423 HydrophobicContact CE-CB 4.34Å; M413-V423 HydrophobicContact CE-CG1 3.51Å; M413-V423 HydrophobicContact CG-CG1 4.4Å; M413-L575 HydrophobicContact CB-CB 4.06Å; M413-L575 HydrophobicContact CB-CD2 3.93Å; M413-L575 WeakPolarHBondContact O-CB 3.49Å; M413-L575 PolarHBondContact O-N 3.07Å; M413-L575 HydrophobicContact SD-CD2 4.22Å; M413-Q578 PolarHBondContact SD-NE2 3.21Å
414	L	96.4	Very high	93.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	-176.4	-64.6	165.8	0	0	0	110.3	Y416 V423 A424 P426 W431 I573 L574 H784	L414-Y416 HydrophobicContact CB-CE2 4.47Å; L414-V423 CarbonylContact O-C 3.56Å; L414-V423 WeakPolarHBondContact O-CA 3.29Å; L414-A424 HydrophobicContact CB-CB 4.35Å; L414-A424 PolarHBondContact N-O 2.97Å; L414-A424 PolarHBondContact O-N 3.08Å; L414-P426 HydrophobicContact CD1-CG 4.17Å; L414-W431 HydrophobicContact CD1-CD2 3.59Å; L414-W431 HydrophobicContact CD1-CE3 3.95Å; L414-W431 HydrophobicContact CD1-CG 4.24Å; L414-W431 HydrophobicContact CD1-CH2 3.65Å; L414-W431 HydrophobicContact CD1-CZ2 3.25Å; L414-W431 HydrophobicContact CD1-CZ3 3.96Å; L414-I573 CarbonylContact C-O 3.55Å; L414-I573 WeakPolarHBondContact CA-O 3.42Å; L414-L574 HydrophobicContact CD2-CD2 4.01Å; L414-H784 HydrophobicContact CD2-CB 4.24Å
415	Q	96.3	Very high	93.6	Very high	35 Å²	35	54.6 Å²	54.6	16%	0.164	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.9	179.8	-174.4	177	-6.7	0	0	110.6	N572 I573 L575 P576	Q415-N572 WeakPolarHBondContact O-CA 3.45Å; Q415-I573 HydrophobicContact CB-CD1 4.43Å; Q415-I573 HydrophobicContact CB-CG1 3.87Å; Q415-I573 PolarHBondContact N-O 3.37Å; Q415-I573 PolarHBondContact O-N 2.98Å; Q415-I573 VanDerWaalsContact O-N 3.09Å; Q415-L575 HydrophobicContact CB-CD1 4.24Å; Q415-P576 VanDerWaalsContact OE1-CD 3.3Å
416	Y	96.1	Very high	93.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.			trans	-101.1	172.9	172.5	-80.6	-92.2	0	0	0	110.5	L414 R421 T422 A424 W431 M433 K436 Q437 N572	L414-Y416 HydrophobicContact CB-CE2 4.47Å; Y416-R421 CarbonylContact O-C 3.59Å; Y416-R421 WeakPolarHBondContact O-CA 3.28Å; Y416-T422 WeakPolarHBondContact CB-O 3.42Å; Y416-T422 PolarHBondContact N-O 2.93Å; Y416-A424 HydrophobicContact CD2-CB 4.13Å; Y416-A424 HydrophobicContact CE2-CB 3.78Å; Y416-W431 AromaticContact CZ-NE1 3.94Å; Y416-W431 PolarHBondContact OH-NE1 2.76Å; Y416-M433 HydrophobicContact CD1-CE 4.24Å; Y416-M433 HydrophobicContact CE1-CE 3.72Å; Y416-M433 HydrophobicContact CE1-CG 4.03Å; Y416-M433 HydrophobicContact CE1-SD 4.09Å; Y416-K436 HydrophobicContact CD1-CB 4Å; Y416-K436 HydrophobicContact CD2-CB 4.36Å; Y416-K436 HydrophobicContact CD2-CD 3.78Å; Y416-K436 HydrophobicContact CE1-CB 4.46Å; Y416-K436 HydrophobicContact CE2-CD 3.94Å; Y416-K436 HydrophobicContact CG-CB 3.93Å; Y416-K436 HydrophobicContact CG-CD 4.23Å; Y416-Q437 WeakPolarHBondContact CB-O 3.24Å; Y416-Q437 VanDerWaalsContact CD1-O 3.31Å; Y416-Q437 WeakPolarHBondContact CD1-O 3.35Å; Y416-N572 HydrophobicContact CD1-CB 4.15Å; Y416-N572 HydrophobicContact CD2-CB 4.2Å; Y416-N572 HydrophobicContact CE1-CB 3.95Å; Y416-N572 HydrophobicContact CE2-CB 3.98Å; Y416-N572 HydrophobicContact CG-CB 4.29Å; Y416-N572 PolarHBondContact OH-ND2 3.4Å; Y416-N572 VanDerWaalsContact OH-ND2 3.12Å
417	G	93.2	Very high	93.1	Very high	8 Å²	8	54.5 Å²	54.5	8%	0.082	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-103.4	-144.8	-175.8	0	0	0	0	0	113.5	R421 Q437 F438	G417-R421 PolarHBondContact O-N 2.89Å; G417-Q437 PolarHBondContact N-O 3.19Å; G417-F438 WeakPolarHBondContact CA-O 3.43Å
418	G	86.9	Confident	92.6	Very high	34 Å²	34	59.2 Å²	59.2	35%	0.351	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	-172.4	-172.3	0	0	0	0	0	113.1	N420 Q437	G418-N420 VanDerWaalsContact C-N 3.26Å; G418-N420 PolarHBondContact O-N 3.24Å; G418-Q437 VanDerWaalsContact CA-OE1 3.23Å
419	R	83	Confident	92.2	Very high	246 Å²	246	57.8 Å²	57.8	93%	0.928	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-34	179.1	-67.5	-176.3	-179.9	-178.5	-1.1	112.6
420	N	82	Confident	92	Very high	138 Å²	138	59.9 Å²	59.9	74%	0.738	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-10.1	-171.4	-61.9	-3.4	0	0	0	113.9	G418 T422	G418-N420 VanDerWaalsContact C-N 3.26Å; G418-N420 PolarHBondContact O-N 3.24Å; N420-T422 HydrophobicContact CB-CG2 3.85Å; N420-T422 PolarHBondContact O-N 3.42Å; N420-T422 VanDerWaalsContact O-N 3.08Å
421	R	86.4	Confident	92	Very high	176 Å²	176	57.1 Å²	57.1	66%	0.664	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.4	50.8	-179	-64.7	-176	175.4	-174.1	-0.8	113.3	Y416 G417	Y416-R421 CarbonylContact O-C 3.59Å; Y416-R421 WeakPolarHBondContact O-CA 3.28Å; G417-R421 PolarHBondContact O-N 2.89Å
422	T	91.1	Very high	91.7	Very high	37 Å²	37	57.5 Å²	57.5	23%	0.227	30%	0.295	C	S	.	.			trans	-65	150.4	-170.2	52	0	0	0	0	111.8	Y416 N420 K436	Y416-T422 WeakPolarHBondContact CB-O 3.42Å; Y416-T422 PolarHBondContact N-O 2.93Å; N420-T422 HydrophobicContact CB-CG2 3.85Å; N420-T422 PolarHBondContact O-N 3.42Å; N420-T422 VanDerWaalsContact O-N 3.08Å; T422-K436 WeakPolarHBondContact OG1-CG 3.35Å
423	V	93.5	Very high	91.5	Very high	60 Å²	60	58.2 Å²	58.2	36%	0.364	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.1	176.4	-175.4	0	0	0	0	109.2	M413 L414 L575	M413-V423 HydrophobicContact CB-CG1 3.67Å; M413-V423 HydrophobicContact CE-CB 4.34Å; M413-V423 HydrophobicContact CE-CG1 3.51Å; M413-V423 HydrophobicContact CG-CG1 4.4Å; L414-V423 CarbonylContact O-C 3.56Å; L414-V423 WeakPolarHBondContact O-CA 3.29Å; V423-L575 HydrophobicContact CG2-CD1 4.41Å
424	A	94.2	Very high	91.2	Very high	4 Å²	4	65 Å²	65	3%	0.033	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.4	172.9	0	0	0	0	0	109.8	L414 Y416 W431 K436	L414-A424 HydrophobicContact CB-CB 4.35Å; L414-A424 PolarHBondContact N-O 2.97Å; L414-A424 PolarHBondContact O-N 3.08Å; Y416-A424 HydrophobicContact CD2-CB 4.13Å; Y416-A424 HydrophobicContact CE2-CB 3.78Å; A424-W431 HydrophobicContact CB-CB 4.35Å; A424-W431 HydrophobicContact CB-CG 4.3Å; A424-K436 HydrophobicContact CB-CD 4.07Å
425	T	94.1	Very high	90.8	Very high	94 Å²	94	68.8 Å²	68.8	58%	0.577	36%	0.359	S	S	*	.			trans	-104	111	172	-52.9	0	0	0	0	108.4	S427	T425-S427 PolarHBondContact O-N 2.86Å
426	P	93.9	Very high	90.7	Very high	12 Å²	12	68.6 Å²	68.6	8%	0.078	36%	0.357	C	S	.	.			trans	-59.5	132.9	174.5	-23.3	34.2	0	0	0	111.1	A411 P412 L414 V430 W431	A411-P426 HydrophobicContact CB-CB 3.88Å; A411-P426 HydrophobicContact CB-CG 4.16Å; P412-P426 WeakPolarHBondContact O-CD 3.34Å; P412-P426 VanDerWaalsContact O-CG 3.31Å; P412-P426 WeakPolarHBondContact O-CG 3.3Å; L414-P426 HydrophobicContact CD1-CG 4.17Å; P426-V430 WeakPolarHBondContact CA-O 3.39Å; P426-W431 HydrophobicContact CB-CE3 3.98Å; P426-W431 HydrophobicContact CG-CD2 4.47Å; P426-W431 HydrophobicContact CG-CE3 3.9Å; P426-W431 HydrophobicContact CG-CZ3 4.37Å
427	S	90.8	Very high	90.8	Very high	74 Å²	74	72.2 Å²	72.2	52%	0.517	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-118.8	126.9	172.1	179.4	0	0	0	0	109	T425 G429 V430	T425-S427 PolarHBondContact O-N 2.86Å; S427-G429 PolarHBondContact O-N 2.84Å; S427-G429 VanDerWaalsContact O-N 3.07Å; S427-V430 PolarHBondContact N-O 3.3Å; S427-V430 PolarHBondContact O-N 3.24Å; S427-V430 VanDerWaalsContact O-O 3.12Å
428	H	87.1	Confident	91	Very high	120 Å²	120	72 Å²	72	56%	0.556	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	39.4	-174.4	-55.9	-75.2	0	0	0	113.3	V720 A750	H428-V720 HydrophobicContact CB-CG1 4.45Å; H428-A750 WeakPolarHBondContact O-CB 3.32Å
429	G	89.6	Confident	91.5	Very high	2 Å²	2	73 Å²	73	2%	0.021	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	14.5	179	0	0	0	0	0	115.9	S427 R791 S792	S427-G429 PolarHBondContact O-N 2.84Å; S427-G429 VanDerWaalsContact O-N 3.07Å; G429-R791 WeakPolarHBondContact O-CA 3.37Å; G429-S792 PolarHBondContact O-N 2.89Å
430	V	94.3	Very high	92.1	Very high	48 Å²	48	64.5 Å²	64.5	29%	0.291	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-133.3	145	-179.5	-174.4	0	0	0	0	110.9	P426 S427 R791	P426-V430 WeakPolarHBondContact CA-O 3.39Å; S427-V430 PolarHBondContact N-O 3.3Å; S427-V430 PolarHBondContact O-N 3.24Å; S427-V430 VanDerWaalsContact O-O 3.12Å; V430-R791 HydrophobicContact CG1-CG 4.34Å; V430-R791 HydrophobicContact CG2-CG 4.38Å
431	W	95.3	Very high	92.8	Very high	17 Å²	17	59.4 Å²	59.4	6%	0.064	32%	0.322	C	S	.	.			trans	-142.3	177.5	164.9	65.9	101.8	0	0	0	109.5	L414 Y416 A424 P426 H784 T790 R791	L414-W431 HydrophobicContact CD1-CD2 3.59Å; L414-W431 HydrophobicContact CD1-CE3 3.95Å; L414-W431 HydrophobicContact CD1-CG 4.24Å; L414-W431 HydrophobicContact CD1-CH2 3.65Å; L414-W431 HydrophobicContact CD1-CZ2 3.25Å; L414-W431 HydrophobicContact CD1-CZ3 3.96Å; Y416-W431 AromaticContact CZ-NE1 3.94Å; Y416-W431 PolarHBondContact OH-NE1 2.76Å; A424-W431 HydrophobicContact CB-CB 4.35Å; A424-W431 HydrophobicContact CB-CG 4.3Å; P426-W431 HydrophobicContact CB-CE3 3.98Å; P426-W431 HydrophobicContact CG-CD2 4.47Å; P426-W431 HydrophobicContact CG-CE3 3.9Å; P426-W431 HydrophobicContact CG-CZ3 4.37Å; W431-H784 HydrophobicContact CH2-CB 4.3Å; W431-H784 AromaticContact CZ3-CD2 3.72Å; W431-T790 VanDerWaalsContact CE2-CA 3.43Å; W431-T790 VanDerWaalsContact CZ2-CA 3.49Å; W431-T790 PolarHBondContact N-O 2.83Å; W431-T790 WeakPolarHBondContact O-CB 3.49Å; W431-T790 PolarHBondContact O-OG1 3.4Å; W431-R791 VanDerWaalsContact CH2-C 3.44Å; W431-R791 VanDerWaalsContact CH2-N 3.33Å; W431-R791 VanDerWaalsContact CZ3-CA 3.45Å
432	D	90.7	Very high	93.3	Very high	42 Å²	42	52.3 Å²	52.3	23%	0.225	30%	0.298	C	S	.	.			trans	-134	169.7	175.7	70.6	40.9	0	0	0	112.6	R434 K436	D432-R434 WeakPolarHBondContact OD1-CB 3.32Å; D432-R434 PolarHBondContact OD1-N 2.8Å; D432-R434 IonicContact OD1-NE 2.75Å; D432-R434 IonicContact OD2-CZ 3.15Å; D432-R434 IonicContact OD2-NE 3.59Å; D432-R434 PolarHBondContact OD2-NE 2.97Å; D432-R434 IonicContact OD2-NH2 2.7Å; D432-R434 PolarHBondContact OD2-NH2 2.77Å; D432-K436 WeakPolarHBondContact O-CD 3.45Å; D432-K436 WeakPolarHBondContact O-CE 3.48Å; D432-K436 PolarHBondContact O-NZ 2.94Å; D432-K436 IonicContact OD1-NZ 2.61Å; D432-K436 PolarHBondContact OD1-NZ 3.47Å; D432-K436 VanDerWaalsContact OD1-NZ 3.14Å
433	M	90.4	Very high	93.6	Very high	19 Å²	19	54.4 Å²	54.4	9%	0.094	31%	0.305	C	S	.	.			trans	-96.5	10.4	177.2	-68.1	-158.7	57	0	0	114.2	Y416 G435 K436 F438 A477 L561 T790	Y416-M433 HydrophobicContact CD1-CE 4.24Å; Y416-M433 HydrophobicContact CE1-CE 3.72Å; Y416-M433 HydrophobicContact CE1-CG 4.03Å; Y416-M433 HydrophobicContact CE1-SD 4.09Å; M433-G435 PolarHBondContact O-N 3.27Å; M433-K436 PolarHBondContact O-N 3Å; M433-F438 HydrophobicContact CE-CD1 3.62Å; M433-F438 HydrophobicContact CE-CE1 3.37Å; M433-F438 HydrophobicContact CE-CG 4.46Å; M433-F438 HydrophobicContact CE-CZ 4.07Å; M433-F438 HydrophobicContact SD-CD1 4.3Å; M433-F438 HydrophobicContact SD-CE1 3.57Å; M433-F438 VanDerWaalsContact SD-CE1 3.57Å; M433-F438 HydrophobicContact SD-CZ 4.26Å; M433-A477 HydrophobicContact CE-CB 4.2Å; M433-L561 HydrophobicContact SD-CD2 3.56Å; M433-L561 VanDerWaalsContact SD-CD2 3.56Å; M433-T790 HydrophobicContact CG-CG2 3.68Å; M433-T790 HydrophobicContact SD-CG2 4.46Å
434	R	89.4	Confident	93.8	Very high	200 Å²	200	51.5 Å²	51.5	76%	0.755	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	125.6	-179.6	-69.1	-178.5	-69.1	173	-1.2	109.3	D432 K436	D432-R434 WeakPolarHBondContact OD1-CB 3.32Å; D432-R434 PolarHBondContact OD1-N 2.8Å; D432-R434 IonicContact OD1-NE 2.75Å; D432-R434 IonicContact OD2-CZ 3.15Å; D432-R434 IonicContact OD2-NE 3.59Å; D432-R434 PolarHBondContact OD2-NE 2.97Å; D432-R434 IonicContact OD2-NH2 2.7Å; D432-R434 PolarHBondContact OD2-NH2 2.77Å; R434-K436 VanDerWaalsContact C-N 3.28Å; R434-K436 WeakPolarHBondContact O-CG 3.5Å; R434-K436 PolarHBondContact O-N 3.23Å; R434-K436 PolarHBondContact O-NZ 2.85Å
435	G	89.1	Confident	93.9	Very high	78 Å²	78	56.8 Å²	56.8	80%	0.804	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	18	-175.5	0	0	0	0	0	115	M433	M433-G435 PolarHBondContact O-N 3.27Å
436	K	94.2	Very high	94.1	Very high	32 Å²	32	55.3 Å²	55.3	14%	0.139	30%	0.297	C	S	.	.			trans	-126.8	142.1	-176.6	-45.1	-175.4	-171.7	64.3	0	110.9	Y416 T422 A424 D432 M433 R434	Y416-K436 HydrophobicContact CD1-CB 4Å; Y416-K436 HydrophobicContact CD2-CB 4.36Å; Y416-K436 HydrophobicContact CD2-CD 3.78Å; Y416-K436 HydrophobicContact CE1-CB 4.46Å; Y416-K436 HydrophobicContact CE2-CD 3.94Å; Y416-K436 HydrophobicContact CG-CB 3.93Å; Y416-K436 HydrophobicContact CG-CD 4.23Å; T422-K436 WeakPolarHBondContact OG1-CG 3.35Å; A424-K436 HydrophobicContact CB-CD 4.07Å; D432-K436 WeakPolarHBondContact O-CD 3.45Å; D432-K436 WeakPolarHBondContact O-CE 3.48Å; D432-K436 PolarHBondContact O-NZ 2.94Å; D432-K436 IonicContact OD1-NZ 2.61Å; D432-K436 PolarHBondContact OD1-NZ 3.47Å; D432-K436 VanDerWaalsContact OD1-NZ 3.14Å; M433-K436 PolarHBondContact O-N 3Å; R434-K436 VanDerWaalsContact C-N 3.28Å; R434-K436 WeakPolarHBondContact O-CG 3.5Å; R434-K436 PolarHBondContact O-N 3.23Å; R434-K436 PolarHBondContact O-NZ 2.85Å
437	Q	96.8	Very high	94.3	Very high	75 Å²	75	54.9 Å²	54.9	35%	0.35	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-113.3	151.2	176.5	-70.2	-178.7	-22	0	0	110.3	Y416 G417 G418 D476 A477	Y416-Q437 WeakPolarHBondContact CB-O 3.24Å; Y416-Q437 VanDerWaalsContact CD1-O 3.31Å; Y416-Q437 WeakPolarHBondContact CD1-O 3.35Å; G417-Q437 PolarHBondContact N-O 3.19Å; G418-Q437 VanDerWaalsContact CA-OE1 3.23Å; Q437-D476 WeakPolarHBondContact CG-O 3.02Å; Q437-A477 CarbonylContact C-O 3.32Å; Q437-A477 WeakPolarHBondContact CA-O 3.47Å
438	F	97.8	Very high	94.6	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.022	27%	0.27	C	S	.	.			trans	-52.8	144.4	177.4	-66.1	-46.4	0	0	0	112.4	G417 M433 T440 A477 M479 C560 L561 N564 N571	G417-F438 WeakPolarHBondContact CA-O 3.43Å; M433-F438 HydrophobicContact CE-CD1 3.62Å; M433-F438 HydrophobicContact CE-CE1 3.37Å; M433-F438 HydrophobicContact CE-CG 4.46Å; M433-F438 HydrophobicContact CE-CZ 4.07Å; M433-F438 HydrophobicContact SD-CD1 4.3Å; M433-F438 HydrophobicContact SD-CE1 3.57Å; M433-F438 VanDerWaalsContact SD-CE1 3.57Å; M433-F438 HydrophobicContact SD-CZ 4.26Å; F438-T440 VanDerWaalsContact C-N 3.26Å; F438-T440 PolarHBondContact O-N 3.22Å; F438-A477 HydrophobicContact CD2-CB 4.32Å; F438-A477 WeakPolarHBondContact CD2-O 3.49Å; F438-A477 HydrophobicContact CE2-CB 3.82Å; F438-A477 WeakPolarHBondContact CG-O 3.29Å; F438-A477 HydrophobicContact CZ-CB 4.05Å; F438-A477 PolarHBondContact N-O 2.89Å; F438-M479 HydrophobicContact CD2-CB 3.8Å; F438-M479 HydrophobicContact CE2-CB 3.79Å; F438-M479 HydrophobicContact CE2-SD 4.4Å; F438-C560 HydrophobicContact CE2-CB 4.38Å; F438-C560 HydrophobicContact CZ-CB 4.23Å; F438-L561 HydrophobicContact CE1-CD2 3.67Å; F438-L561 HydrophobicContact CZ-CD2 4.15Å; F438-N564 HydrophobicContact CD2-CB 4.02Å; F438-N564 HydrophobicContact CE2-CB 3.81Å; F438-N564 HydrophobicContact CZ-CB 4.28Å; F438-N571 VanDerWaalsContact CA-O 3.32Å; F438-N571 WeakPolarHBondContact CA-O 3.49Å; F438-N571 HydrophobicContact CD1-CB 3.82Å; F438-N571 HydrophobicContact CE1-CB 4.03Å
439	H	97.1	Very high	95.2	Very high	55 Å²	55	45.7 Å²	45.7	26%	0.255	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-47.9	174.2	-179.4	-82	0	0	0	111.2	I570 N571	H439-I570 HydrophobicContact CB-CB 4.38Å; H439-I570 HydrophobicContact CB-CG2 3.94Å; H439-I570 PolarHBondContact N-O 3.42Å; H439-N571 PolarHBondContact N-O 2.66Å
440	T	97	Very high	95.6	Very high	67 Å²	67	45.6 Å²	45.6	41%	0.411	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-135.1	94.3	172.7	-48.9	0	0	0	0	107.8	F438 N564 G569 I570	F438-T440 VanDerWaalsContact C-N 3.26Å; F438-T440 PolarHBondContact O-N 3.22Å; T440-N564 PolarHBondContact O-ND2 2.96Å; T440-G569 CarbonylContact O-C 3.56Å; T440-G569 VanDerWaalsContact O-CA 3.25Å; T440-G569 WeakPolarHBondContact O-CA 3.37Å; T440-I570 PolarHBondContact N-O 3.43Å; T440-I570 PolarHBondContact O-N 2.81Å
441	G	95.9	Very high	95.8	Very high	31 Å²	31	43.3 Å²	43.3	32%	0.32	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-83.9	135	176.7	0	0	0	0	0	111.8	G478 N564	G441-G478 WeakPolarHBondContact CA-O 3.22Å; G441-N564 WeakPolarHBondContact CA-OD1 3.31Å
442	V	97.2	Very high	95.8	Very high	27 Å²	27	43 Å²	43	16%	0.164	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-84.5	135.2	175.6	-178.7	0	0	0	0	110.3	M479 N564 L567	V442-M479 WeakPolarHBondContact O-CA 3.34Å; V442-M479 WeakPolarHBondContact O-CG 3.42Å; V442-N564 PolarHBondContact N-OD1 2.99Å; V442-L567 HydrophobicContact CB-CB 4.17Å; V442-L567 HydrophobicContact CG1-CB 3.92Å; V442-L567 HydrophobicContact CG1-CD1 4.27Å; V442-L567 HydrophobicContact CG2-CB 4.02Å
443	E	97.6	Very high	96	Very high	80 Å²	80	41.1 Å²	41.1	37%	0.374	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-82.7	122.7	169.2	-176.2	-178.9	-148.7	0	0	109.8	K445 P480 Q482 Q512	E443-K445 HydrophobicContact CG-CG 4.21Å; E443-K445 WeakPolarHBondContact OE2-CE 3.37Å; E443-K445 IonicContact OE2-NZ 3.04Å; E443-K445 PolarHBondContact OE2-NZ 2.81Å; E443-P480 HydrophobicContact CB-CG 4.39Å; E443-P480 HydrophobicContact CG-CG 4.25Å; E443-Q482 HydrophobicContact CG-CG 4.48Å; E443-Q482 PolarHBondContact OE1-NE2 3.43Å; E443-Q512 PolarHBondContact O-NE2 2.84Å
444	I	98.1	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-104.2	107	-177	-58.2	173.1	0	0	0	108.4	W447 M479 P480 I481 Q482 I563 L567	I444-W447 HydrophobicContact CG2-CB 3.85Å; I444-W447 HydrophobicContact CG2-CG 3.97Å; I444-M479 HydrophobicContact CD1-CE 3.89Å; I444-M479 HydrophobicContact CD1-CG 4.03Å; I444-M479 HydrophobicContact CD1-SD 3.9Å; I444-M479 HydrophobicContact CG1-CG 4.48Å; I444-P480 PolarHBondContact N-O 3.49Å; I444-I481 HydrophobicContact CB-CG1 4.05Å; I444-I481 HydrophobicContact CD1-CD1 4.41Å; I444-I481 HydrophobicContact CD1-CG1 3.78Å; I444-I481 HydrophobicContact CG1-CG1 4.4Å; I444-I481 HydrophobicContact CG2-CG1 4.43Å; I444-Q482 PolarHBondContact O-N 3.05Å; I444-I563 HydrophobicContact CD1-CG2 3.58Å; I444-L567 HydrophobicContact CD1-CD1 3.62Å; I444-L567 HydrophobicContact CG1-CD1 3.59Å
445	K	96.7	Very high	96.1	Very high	114 Å²	114	39 Å²	39	50%	0.496	22%	0.22	S	C	.	.			trans	-98.6	-48.1	-177.9	-58.1	-176.1	179.8	176.2	0	111.7	E443	E443-K445 HydrophobicContact CG-CG 4.21Å; E443-K445 WeakPolarHBondContact OE2-CE 3.37Å; E443-K445 IonicContact OE2-NZ 3.04Å; E443-K445 PolarHBondContact OE2-NZ 2.81Å
446	M	96.9	Very high	96.1	Very high	63 Å²	63	46.3 Å²	46.3	31%	0.31	22%	0.224	S	C	.	.	S	Bend	trans	-117.7	113	-174.8	-66.3	-61.7	-71.7	0	0	110	C486 Y508 G510 Q512	M446-C486 HydrophobicContact CE-CB 3.99Å; M446-Y508 HydrophobicContact CE-CD1 4.25Å; M446-G510 WeakPolarHBondContact CB-O 3.4Å; M446-Q512 WeakPolarHBondContact O-CB 3.46Å; M446-Q512 PolarHBondContact O-N 2.88Å
447	W	98.3	Very high	95.9	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.4	-177	67.2	-74.4	0	0	0	111.8	I444 I449 T467 I481 P485 C486 L513 I515	I444-W447 HydrophobicContact CG2-CB 3.85Å; I444-W447 HydrophobicContact CG2-CG 3.97Å; W447-I449 HydrophobicContact CE3-CG1 4.2Å; W447-I449 HydrophobicContact CH2-CD1 3.98Å; W447-I449 HydrophobicContact CH2-CG1 4.28Å; W447-I449 HydrophobicContact CZ3-CD1 3.66Å; W447-I449 HydrophobicContact CZ3-CG1 3.51Å; W447-T467 HydrophobicContact CH2-CG2 3.53Å; W447-T467 HydrophobicContact CZ2-CG2 3.86Å; W447-I481 HydrophobicContact CD2-CG2 4.25Å; W447-I481 HydrophobicContact CG-CG2 4.5Å; W447-I481 HydrophobicContact CZ2-CG2 3.81Å; W447-I481 VanDerWaalsContact NE1-CG2 3.32Å; W447-P485 HydrophobicContact CD2-CB 4Å; W447-P485 HydrophobicContact CE3-CB 3.93Å; W447-P485 HydrophobicContact CH2-CB 3.82Å; W447-P485 HydrophobicContact CH2-CG 3.9Å; W447-P485 HydrophobicContact CZ2-CB 3.89Å; W447-P485 VanDerWaalsContact CZ2-CD 3.46Å; W447-P485 HydrophobicContact CZ2-CG 4.12Å; W447-P485 HydrophobicContact CZ3-CB 3.85Å; W447-P485 HydrophobicContact CZ3-CG 4.29Å; W447-P485 CarbonylContact O-C 3.54Å; W447-P485 VanDerWaalsContact O-CA 3.24Å; W447-P485 WeakPolarHBondContact O-CA 3.25Å; W447-P485 WeakPolarHBondContact O-CB 3.47Å; W447-C486 PolarHBondContact O-N 3.37Å; W447-C486 PolarHBondContact O-SG 3.13Å; W447-L513 CarbonylContact C-O 3.47Å; W447-L513 VanDerWaalsContact CA-O 3.28Å; W447-L513 WeakPolarHBondContact CA-O 3.41Å; W447-L513 HydrophobicContact CB-CB 4.22Å; W447-I515 HydrophobicContact CE3-CD1 4.06Å; W447-I515 HydrophobicContact CE3-CG1 4.45Å; W447-I515 HydrophobicContact CZ3-CD1 3.9Å
448	A	98.3	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	158	-175	0	0	0	0	0	112.5	F487 L504 L511 L513 I515	A448-F487 CarbonylContact C-O 3.6Å; A448-F487 WeakPolarHBondContact CA-O 3.27Å; A448-F487 HydrophobicContact CB-CB 3.96Å; A448-F487 HydrophobicContact CB-CD1 4.44Å; A448-L504 HydrophobicContact CB-CD1 4.25Å; A448-L504 HydrophobicContact CB-CD2 4.04Å; A448-L511 HydrophobicContact CB-CD1 4.19Å; A448-L513 PolarHBondContact N-O 2.97Å; A448-I515 PolarHBondContact O-N 3.41Å
449	I	98.4	Very high	95.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.9	171.4	-59.1	-178.5	0	0	0	109.9	W447 P485 F487 C488 K489 I515 I517	W447-I449 HydrophobicContact CE3-CG1 4.2Å; W447-I449 HydrophobicContact CH2-CD1 3.98Å; W447-I449 HydrophobicContact CH2-CG1 4.28Å; W447-I449 HydrophobicContact CZ3-CD1 3.66Å; W447-I449 HydrophobicContact CZ3-CG1 3.51Å; I449-P485 HydrophobicContact CD1-CB 4.48Å; I449-P485 HydrophobicContact CD1-CG 4.04Å; I449-P485 HydrophobicContact CG1-CB 4.15Å; I449-P485 HydrophobicContact CG1-CG 4.22Å; I449-F487 PolarHBondContact N-O 2.95Å; I449-C488 HydrophobicContact CB-CB 4.35Å; I449-C488 WeakPolarHBondContact O-CA 3.29Å; I449-K489 PolarHBondContact O-N 2.88Å; I449-I515 WeakPolarHBondContact CA-O 3.41Å; I449-I515 HydrophobicContact CG1-CB 4.42Å; I449-I517 HydrophobicContact CG2-CD1 3.96Å
450	A	98.1	Very high	95.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113	169.4	0	0	0	0	0	109.6	F452 M500 I514 I515 V516 I517	A450-F452 HydrophobicContact CB-CE2 3.93Å; A450-M500 HydrophobicContact CB-SD 3.64Å; A450-I514 HydrophobicContact CB-CG2 4.31Å; A450-I515 PolarHBondContact N-O 2.98Å; A450-V516 CarbonylContact O-C 3.48Å; A450-V516 WeakPolarHBondContact O-CA 3.42Å; A450-I517 PolarHBondContact O-N 3.21Å
451	C	97.8	Very high	95.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.7	-176.5	-168.8	0	0	0	0	111.6	L463 K489 Y490 A491 I517	C451-L463 HydrophobicContact CB-CD1 4.46Å; C451-K489 PolarHBondContact N-O 3.25Å; C451-Y490 HydrophobicContact CB-CD1 3.73Å; C451-Y490 HydrophobicContact CB-CE1 3.97Å; C451-Y490 HydrophobicContact CB-CG 4.43Å; C451-Y490 CarbonylContact O-C 3.52Å; C451-Y490 VanDerWaalsContact O-CA 3.23Å; C451-Y490 WeakPolarHBondContact O-CA 3.48Å; C451-A491 PolarHBondContact O-N 2.77Å; C451-I517 HydrophobicContact CB-CB 4.41Å
452	F	96.7	Very high	95.3	Very high	12 Å²	12	59.9 Å²	59.9	5%	0.053	27%	0.269	C	S	.	.			trans	-95	2.5	175.9	-69.1	-98.6	0	0	0	113.2	A450 A491 G493 S496 V497 V516 I517 L518 V524	A450-F452 HydrophobicContact CB-CE2 3.93Å; F452-A491 WeakPolarHBondContact CA-O 3.36Å; F452-A491 HydrophobicContact CD1-CB 3.94Å; F452-A491 HydrophobicContact CE1-CB 3.66Å; F452-A491 HydrophobicContact CE2-CB 4.46Å; F452-A491 HydrophobicContact CG-CB 4.47Å; F452-A491 HydrophobicContact CZ-CB 3.93Å; F452-G493 WeakPolarHBondContact CE1-O 3.26Å; F452-S496 WeakPolarHBondContact CE1-OG 3.48Å; F452-V497 HydrophobicContact CE1-CG2 3.7Å; F452-V497 HydrophobicContact CE2-CG2 4.45Å; F452-V497 HydrophobicContact CZ-CB 4.41Å; F452-V497 HydrophobicContact CZ-CG2 3.52Å; F452-V516 HydrophobicContact CD2-CG1 3.63Å; F452-V516 HydrophobicContact CE2-CG1 3.8Å; F452-I517 WeakPolarHBondContact CA-O 3.29Å; F452-I517 WeakPolarHBondContact CB-O 3.46Å; F452-I517 PolarHBondContact N-O 2.73Å; F452-L518 HydrophobicContact CB-CD2 4.27Å; F452-V524 HydrophobicContact CB-CG1 4.33Å; F452-V524 HydrophobicContact CD1-CG1 3.66Å; F452-V524 HydrophobicContact CD1-CG2 4.26Å; F452-V524 HydrophobicContact CD2-CG1 4.12Å; F452-V524 HydrophobicContact CE1-CG1 3.88Å; F452-V524 HydrophobicContact CE2-CG1 4.34Å; F452-V524 HydrophobicContact CG-CG1 3.78Å; F452-V524 HydrophobicContact CZ-CG1 4.24Å
453	A	94.2	Very high	95.2	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.017	26%	0.263	C	S	.	.	S	Bend	trans	-79.6	151.4	167.6	0	0	0	0	0	109.6	C458 I517 P519 V545	A453-C458 HydrophobicContact CB-CB 4.09Å; A453-I517 HydrophobicContact CB-CG2 4.36Å; A453-P519 HydrophobicContact CB-CB 4.43Å; A453-V545 HydrophobicContact CB-CB 4.02Å; A453-V545 HydrophobicContact CB-CG2 3.79Å
454	T	91.4	Very high	95.1	Very high	57 Å²	57	60.9 Å²	60.9	35%	0.35	27%	0.27	S	S	.	.			trans	-66	146	176.9	65.5	0	0	0	0	110.2	R456 Q457 C458	T454-R456 PolarHBondContact O-N 3.26Å; T454-R456 VanDerWaalsContact O-N 3.12Å; T454-Q457 PolarHBondContact O-N 3.44Å; T454-Q457 WeakPolarHBondContact OG1-CG 3.48Å; T454-Q457 PolarHBondContact OG1-N 2.75Å; T454-Q457 PolarHBondContact OG1-OE1 2.78Å; T454-C458 PolarHBondContact O-N 2.82Å
455	Q	90.3	Very high	95	Very high	116 Å²	116	63.4 Å²	63.4	54%	0.542	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.5	179	-170.3	177.4	1.4	0	0	112.6	C458 R459 Y490	Q455-C458 CarbonylContact O-C 3.34Å; Q455-R459 WeakPolarHBondContact O-CG 3.47Å; Q455-R459 PolarHBondContact O-N 2.75Å; Q455-Y490 HydrophobicContact CB-CD1 4.41Å; Q455-Y490 HydrophobicContact CB-CE1 4.2Å; Q455-Y490 HydrophobicContact CG-CE1 4.37Å; Q455-Y490 HydrophobicContact CG-CE2 4.14Å
456	R	89.8	Confident	95.1	Very high	233 Å²	233	58 Å²	58	88%	0.879	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-40.7	173	-66.9	-175.1	-178.3	-177.6	0.7	112.3	T454	T454-R456 PolarHBondContact O-N 3.26Å; T454-R456 VanDerWaalsContact O-N 3.12Å
457	Q	89.1	Confident	95.1	Very high	101 Å²	101	55.2 Å²	55.2	47%	0.472	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-34.8	179.3	-71.8	174	-32.2	0	0	112.6	T454	T454-Q457 PolarHBondContact O-N 3.44Å; T454-Q457 WeakPolarHBondContact OG1-CG 3.48Å; T454-Q457 PolarHBondContact OG1-N 2.75Å; T454-Q457 PolarHBondContact OG1-OE1 2.78Å
458	C	93.3	Very high	95	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-133.7	95.3	-178.3	-166.3	0	0	0	0	108.8	A453 T454 Q455 L463 Y490 V545	A453-C458 HydrophobicContact CB-CB 4.09Å; T454-C458 PolarHBondContact O-N 2.82Å; Q455-C458 CarbonylContact O-C 3.34Å; C458-L463 WeakPolarHBondContact SG-CD2 3.44Å; C458-Y490 VanDerWaalsContact O-CE1 3.23Å; C458-Y490 WeakPolarHBondContact O-CE1 3.18Å; C458-Y490 PolarHBondContact O-OH 3.31Å; C458-V545 HydrophobicContact CB-CG2 3.76Å
459	R	94.5	Very high	95	Very high	153 Å²	153	63.9 Å²	63.9	58%	0.577	29%	0.291	S	S	*	.			trans	-76.2	163.5	177.9	-60.1	-179.9	-173.9	178.6	-0	111	Q455 E461 I462 L463 Y490	Q455-R459 WeakPolarHBondContact O-CG 3.47Å; Q455-R459 PolarHBondContact O-N 2.75Å; R459-E461 VanDerWaalsContact C-N 3.29Å; R459-E461 PolarHBondContact O-N 3.31Å; R459-I462 HydrophobicContact CB-CD1 4.41Å; R459-I462 HydrophobicContact CB-CG1 4.43Å; R459-I462 WeakPolarHBondContact O-CB 3.31Å; R459-I462 PolarHBondContact O-N 2.78Å; R459-I462 VanDerWaalsContact O-N 3.09Å; R459-L463 PolarHBondContact O-N 2.79Å; R459-Y490 VanDerWaalsContact C-OH 3.29Å
460	E	93.6	Very high	94.9	Very high	108 Å²	108	63.9 Å²	63.9	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-35.3	179.7	-66.2	-171.7	174.1	0	0	113.2	I462 L463 K464 Y490	E460-I462 VanDerWaalsContact C-N 3.27Å; E460-I462 PolarHBondContact O-N 3.09Å; E460-L463 WeakPolarHBondContact O-CB 3.42Å; E460-L463 PolarHBondContact O-N 2.99Å; E460-L463 VanDerWaalsContact O-N 3.14Å; E460-K464 WeakPolarHBondContact O-CG 3.26Å; E460-K464 PolarHBondContact O-N 2.92Å; E460-Y490 HydrophobicContact CG-CE2 3.96Å; E460-Y490 WeakPolarHBondContact CG-OH 3.49Å; E460-Y490 PolarHBondContact N-OH 3.31Å
461	E	94.8	Very high	94.9	Very high	143 Å²	143	67.6 Å²	67.6	67%	0.668	31%	0.305	S	S	*	.	H	α-helix	trans	-58.7	-40	174.1	-66.6	163.8	-173.9	0	0	112	R459 L463 K464 S465	R459-E461 VanDerWaalsContact C-N 3.29Å; R459-E461 PolarHBondContact O-N 3.31Å; E461-L463 VanDerWaalsContact C-N 3.35Å; E461-K464 PolarHBondContact O-N 2.89Å; E461-S465 WeakPolarHBondContact O-CB 3.28Å; E461-S465 PolarHBondContact O-N 3.06Å
462	I	95.8	Very high	94.9	Very high	44 Å²	44	74.4 Å²	74.4	23%	0.226	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-40.6	177.2	-60.3	177	0	0	0	109.9	R459 E460 S465 F466 V548 V549	R459-I462 HydrophobicContact CB-CD1 4.41Å; R459-I462 HydrophobicContact CB-CG1 4.43Å; R459-I462 WeakPolarHBondContact O-CB 3.31Å; R459-I462 PolarHBondContact O-N 2.78Å; R459-I462 VanDerWaalsContact O-N 3.09Å; E460-I462 VanDerWaalsContact C-N 3.27Å; E460-I462 PolarHBondContact O-N 3.09Å; I462-S465 PolarHBondContact O-N 2.87Å; I462-F466 VanDerWaalsContact O-CB 3.29Å; I462-F466 WeakPolarHBondContact O-CB 3.37Å; I462-F466 PolarHBondContact O-N 2.84Å; I462-V548 HydrophobicContact CG2-CG1 4.17Å; I462-V549 HydrophobicContact CD1-CG2 4.33Å; I462-V549 HydrophobicContact CG2-CG2 4.18Å
463	L	95.6	Very high	94.9	Very high	6 Å²	6	75.4 Å²	75.4	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-41.6	175.6	-64.4	178.7	0	0	0	112.3	C451 C458 R459 E460 E461 T467 Y490 I517 V548	C451-L463 HydrophobicContact CB-CD1 4.46Å; C458-L463 WeakPolarHBondContact SG-CD2 3.44Å; R459-L463 PolarHBondContact O-N 2.79Å; E460-L463 WeakPolarHBondContact O-CB 3.42Å; E460-L463 PolarHBondContact O-N 2.99Å; E460-L463 VanDerWaalsContact O-N 3.14Å; E461-L463 VanDerWaalsContact C-N 3.35Å; L463-T467 WeakPolarHBondContact O-CB 3.43Å; L463-T467 PolarHBondContact O-N 3.44Å; L463-T467 PolarHBondContact O-OG1 2.88Å; L463-Y490 HydrophobicContact CD1-CE1 4.24Å; L463-Y490 HydrophobicContact CD1-CE2 4.5Å; L463-Y490 WeakPolarHBondContact CD1-OH 3.44Å; L463-I517 HydrophobicContact CD2-CD1 3.11Å; L463-V548 HydrophobicContact CD2-CG1 4.24Å
464	K	95.6	Very high	95	Very high	123 Å²	123	75.3 Å²	75.3	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-50.3	175.5	-72.1	177.1	-178.9	177	0	110.9	E460 E461 F466 T467 E468	E460-K464 WeakPolarHBondContact O-CG 3.26Å; E460-K464 PolarHBondContact O-N 2.92Å; E461-K464 PolarHBondContact O-N 2.89Å; K464-F466 PolarHBondContact O-N 3.37Å; K464-T467 WeakPolarHBondContact O-CB 3.45Å; K464-T467 PolarHBondContact O-N 2.99Å; K464-T467 VanDerWaalsContact O-N 3.11Å; K464-E468 WeakPolarHBondContact O-CG 3.43Å; K464-E468 PolarHBondContact O-N 3.05Å
465	S	96.4	Very high	95.2	Very high	52 Å²	52	79.7 Å²	79.7	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-45.2	178.3	-172.4	0	0	0	0	112.4	E461 I462 T467 E468 Q469	E461-S465 WeakPolarHBondContact O-CB 3.28Å; E461-S465 PolarHBondContact O-N 3.06Å; I462-S465 PolarHBondContact O-N 2.87Å; S465-T467 VanDerWaalsContact C-N 3.31Å; S465-T467 PolarHBondContact O-N 2.85Å; S465-E468 PolarHBondContact O-N 2.98Å; S465-Q469 WeakPolarHBondContact O-CG 3.41Å; S465-Q469 PolarHBondContact O-N 3.41Å; S465-Q469 VanDerWaalsContact O-N 3.08Å
466	F	97.7	Very high	95.5	Very high	2 Å²	2	78.6 Å²	78.6	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-57.3	-45.5	173.8	166.9	-100.3	0	0	0	111.8	I462 K464 Q469 L470 I515 V543 V548 T551 L556 L559	I462-F466 VanDerWaalsContact O-CB 3.29Å; I462-F466 WeakPolarHBondContact O-CB 3.37Å; I462-F466 PolarHBondContact O-N 2.84Å; K464-F466 PolarHBondContact O-N 3.37Å; F466-Q469 PolarHBondContact O-N 3.01Å; F466-L470 HydrophobicContact CE1-CD2 4.04Å; F466-L470 HydrophobicContact CZ-CD2 3.94Å; F466-L470 VanDerWaalsContact O-CB 3.28Å; F466-L470 WeakPolarHBondContact O-CB 3.4Å; F466-L470 PolarHBondContact O-N 3.46Å; F466-I515 HydrophobicContact CE1-CG2 4.4Å; F466-V543 HydrophobicContact CZ-CG2 4.44Å; F466-V548 HydrophobicContact CB-CG1 3.69Å; F466-V548 HydrophobicContact CD1-CG1 4.2Å; F466-V548 HydrophobicContact CD2-CB 4.29Å; F466-V548 HydrophobicContact CD2-CG1 4.04Å; F466-V548 HydrophobicContact CD2-CG2 4.29Å; F466-V548 HydrophobicContact CE2-CG2 4.32Å; F466-V548 HydrophobicContact CG-CB 4.45Å; F466-V548 HydrophobicContact CG-CG1 3.7Å; F466-T551 HydrophobicContact CB-CG2 4.45Å; F466-T551 HydrophobicContact CD2-CG2 3.73Å; F466-L556 HydrophobicContact CD2-CD2 4.12Å; F466-L556 HydrophobicContact CE2-CD2 3.64Å; F466-L559 HydrophobicContact CE2-CD2 4.49Å; F466-L559 HydrophobicContact CZ-CD2 4.11Å
467	T	97.3	Very high	95.7	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-47.1	-179.9	-65	0	0	0	0	111.5	W447 L463 K464 S465 Q469 L470 R471	W447-T467 HydrophobicContact CH2-CG2 3.53Å; W447-T467 HydrophobicContact CZ2-CG2 3.86Å; L463-T467 WeakPolarHBondContact O-CB 3.43Å; L463-T467 PolarHBondContact O-N 3.44Å; L463-T467 PolarHBondContact O-OG1 2.88Å; K464-T467 WeakPolarHBondContact O-CB 3.45Å; K464-T467 PolarHBondContact O-N 2.99Å; K464-T467 VanDerWaalsContact O-N 3.11Å; S465-T467 VanDerWaalsContact C-N 3.31Å; S465-T467 PolarHBondContact O-N 2.85Å; T467-Q469 PolarHBondContact O-N 3.36Å; T467-L470 PolarHBondContact O-N 3.3Å; T467-R471 HydrophobicContact CG2-CG 4.27Å; T467-R471 WeakPolarHBondContact O-CB 3.49Å; T467-R471 WeakPolarHBondContact O-CG 3.46Å; T467-R471 PolarHBondContact O-N 3.46Å
468	E	96.9	Very high	96	Very high	114 Å²	114	63.9 Å²	63.9	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-45.6	178.8	-73	169.9	-176.3	0	0	112.1	K464 S465 R471 K472	K464-E468 WeakPolarHBondContact O-CG 3.43Å; K464-E468 PolarHBondContact O-N 3.05Å; S465-E468 PolarHBondContact O-N 2.98Å; E468-R471 PolarHBondContact O-N 3.03Å; E468-K472 PolarHBondContact O-N 3.38Å
469	Q	97.3	Very high	96.2	Very high	71 Å²	71	63.9 Å²	63.9	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-41.2	178	-66.9	-175.8	16.8	0	0	112.2	S465 F466 T467 R471 K472 I473 T551 L556	S465-Q469 WeakPolarHBondContact O-CG 3.41Å; S465-Q469 PolarHBondContact O-N 3.41Å; S465-Q469 VanDerWaalsContact O-N 3.08Å; F466-Q469 PolarHBondContact O-N 3.01Å; T467-Q469 PolarHBondContact O-N 3.36Å; Q469-R471 VanDerWaalsContact C-N 3.35Å; Q469-K472 PolarHBondContact O-N 2.81Å; Q469-I473 WeakPolarHBondContact O-CG1 3.42Å; Q469-I473 PolarHBondContact O-N 3.21Å; Q469-T551 PolarHBondContact OE1-OG1 3.44Å; Q469-L556 HydrophobicContact CB-CD1 3.72Å
470	L	97.8	Very high	96.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-44.8	175.3	179.9	60.9	0	0	0	110.8	F466 T467 K472 I473 S474 I481 I515 L556 L559	F466-L470 HydrophobicContact CE1-CD2 4.04Å; F466-L470 HydrophobicContact CZ-CD2 3.94Å; F466-L470 VanDerWaalsContact O-CB 3.28Å; F466-L470 WeakPolarHBondContact O-CB 3.4Å; F466-L470 PolarHBondContact O-N 3.46Å; T467-L470 PolarHBondContact O-N 3.3Å; L470-K472 PolarHBondContact O-N 2.98Å; L470-I473 PolarHBondContact O-N 2.84Å; L470-S474 WeakPolarHBondContact O-CB 3.41Å; L470-S474 PolarHBondContact O-N 2.92Å; L470-S474 PolarHBondContact O-OG 2.93Å; L470-I481 HydrophobicContact CD2-CD1 4.29Å; L470-I481 HydrophobicContact CG-CD1 4.04Å; L470-I515 HydrophobicContact CD2-CD1 3.65Å; L470-L556 HydrophobicContact CB-CD2 4.48Å; L470-L556 HydrophobicContact CD1-CD2 4.28Å; L470-L559 HydrophobicContact CD1-CD2 4.14Å; L470-L559 HydrophobicContact CD2-CD2 4.42Å
471	R	97.7	Very high	96.6	Very high	78 Å²	78	54.1 Å²	54.1	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-46.1	176.7	-74.1	178.3	68.8	-151.6	-1.1	111.4	T467 E468 Q469 S474 K475 I481 G483	T467-R471 HydrophobicContact CG2-CG 4.27Å; T467-R471 WeakPolarHBondContact O-CB 3.49Å; T467-R471 WeakPolarHBondContact O-CG 3.46Å; T467-R471 PolarHBondContact O-N 3.46Å; E468-R471 PolarHBondContact O-N 3.03Å; Q469-R471 VanDerWaalsContact C-N 3.35Å; R471-S474 WeakPolarHBondContact CA-OG 3.25Å; R471-S474 PolarHBondContact O-N 2.95Å; R471-S474 PolarHBondContact O-OG 2.98Å; R471-K475 WeakPolarHBondContact O-CB 3.16Å; R471-K475 PolarHBondContact O-N 2.88Å; R471-I481 HydrophobicContact CG-CB 3.96Å; R471-I481 HydrophobicContact CG-CG2 3.84Å; R471-I481 PolarHBondContact NE-O 2.69Å; R471-G483 WeakPolarHBondContact CD-O 3.29Å; R471-G483 PolarHBondContact NE-O 2.87Å
472	K	96.8	Very high	96.5	Very high	142 Å²	142	51.3 Å²	51.3	62%	0.617	25%	0.251	S	S	*	.	H	α-helix	trans	-56.1	-55.3	175.6	-175.3	-178.7	178.9	178.4	0	111.5	E468 Q469 L470 S474 K475 D476	E468-K472 PolarHBondContact O-N 3.38Å; Q469-K472 PolarHBondContact O-N 2.81Å; L470-K472 PolarHBondContact O-N 2.98Å; K472-S474 VanDerWaalsContact C-N 3.31Å; K472-S474 PolarHBondContact O-N 3.44Å; K472-K475 WeakPolarHBondContact O-CB 2.98Å; K472-K475 PolarHBondContact O-N 2.87Å; K472-D476 VanDerWaalsContact O-CG 3.31Å; K472-D476 PolarHBondContact O-N 2.77Å
473	I	96.7	Very high	96.2	Very high	33 Å²	33	51.1 Å²	51.1	17%	0.169	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-35.9	-177.8	-62.8	-70.4	0	0	0	111.8	Q469 L470 D476 A477 P553 L556	Q469-I473 WeakPolarHBondContact O-CG1 3.42Å; Q469-I473 PolarHBondContact O-N 3.21Å; L470-I473 PolarHBondContact O-N 2.84Å; I473-D476 PolarHBondContact O-N 2.8Å; I473-A477 WeakPolarHBondContact O-CB 3.47Å; I473-A477 PolarHBondContact O-N 2.87Å; I473-P553 HydrophobicContact CD1-CB 4.18Å; I473-L556 HydrophobicContact CB-CB 4.36Å; I473-L556 HydrophobicContact CG1-CB 4.3Å; I473-L556 HydrophobicContact CG1-CD1 4.34Å; I473-L556 HydrophobicContact CG2-CB 4.22Å
474	S	96.9	Very high	96.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-41.7	176	76.8	0	0	0	0	112	L470 R471 K472 A477 G478 M479 I481	L470-S474 WeakPolarHBondContact O-CB 3.41Å; L470-S474 PolarHBondContact O-N 2.92Å; L470-S474 PolarHBondContact O-OG 2.93Å; R471-S474 WeakPolarHBondContact CA-OG 3.25Å; R471-S474 PolarHBondContact O-N 2.95Å; R471-S474 PolarHBondContact O-OG 2.98Å; K472-S474 VanDerWaalsContact C-N 3.31Å; K472-S474 PolarHBondContact O-N 3.44Å; S474-A477 CarbonylContact O-C 3.58Å; S474-A477 PolarHBondContact O-N 3.01Å; S474-G478 PolarHBondContact O-N 2.87Å; S474-M479 CarbonylContact C-O 3.51Å; S474-M479 VanDerWaalsContact C-O 3.3Å; S474-M479 WeakPolarHBondContact CB-O 3.45Å; S474-M479 CarbonylContact O-C 3.53Å; S474-M479 WeakPolarHBondContact O-CA 3.34Å; S474-M479 PolarHBondContact O-N 3.18Å; S474-M479 PolarHBondContact OG-O 3.31Å; S474-I481 WeakPolarHBondContact OG-CG1 3.04Å; S474-I481 PolarHBondContact OG-N 2.9Å
475	K	96.4	Very high	96.3	Very high	149 Å²	149	51.2 Å²	51.2	65%	0.648	27%	0.265	S	S	*	.	H	α-helix	trans	-65.1	-45.2	176.4	-174.3	-178.5	179.1	-177.1	0	111.1	R471 K472 A477 G478	R471-K475 WeakPolarHBondContact O-CB 3.16Å; R471-K475 PolarHBondContact O-N 2.88Å; K472-K475 WeakPolarHBondContact O-CB 2.98Å; K472-K475 PolarHBondContact O-N 2.87Å; K475-A477 PolarHBondContact O-N 2.89Å; K475-G478 PolarHBondContact O-N 3.06Å
476	D	95	Very high	96.2	Very high	94 Å²	94	50.5 Å²	50.5	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-35.7	177.5	-64.5	-17.8	0	0	0	111.6	Q437 K472 I473 G478	Q437-D476 WeakPolarHBondContact CG-O 3.02Å; K472-D476 VanDerWaalsContact O-CG 3.31Å; K472-D476 PolarHBondContact O-N 2.77Å; I473-D476 PolarHBondContact O-N 2.8Å; D476-G478 VanDerWaalsContact C-N 3.27Å; D476-G478 PolarHBondContact O-N 3.46Å
477	A	95.6	Very high	96.2	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.041	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.9	175	0	0	0	0	0	114.3	M433 Q437 F438 I473 S474 K475	M433-A477 HydrophobicContact CE-CB 4.2Å; Q437-A477 CarbonylContact C-O 3.32Å; Q437-A477 WeakPolarHBondContact CA-O 3.47Å; F438-A477 HydrophobicContact CD2-CB 4.32Å; F438-A477 WeakPolarHBondContact CD2-O 3.49Å; F438-A477 HydrophobicContact CE2-CB 3.82Å; F438-A477 WeakPolarHBondContact CG-O 3.29Å; F438-A477 HydrophobicContact CZ-CB 4.05Å; F438-A477 PolarHBondContact N-O 2.89Å; I473-A477 WeakPolarHBondContact O-CB 3.47Å; I473-A477 PolarHBondContact O-N 2.87Å; S474-A477 CarbonylContact O-C 3.58Å; S474-A477 PolarHBondContact O-N 3.01Å; K475-A477 PolarHBondContact O-N 2.89Å
478	G	95.8	Very high	96.2	Very high	20 Å²	20	54.3 Å²	54.3	21%	0.206	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	17.9	-179.4	0	0	0	0	0	115	G441 S474 K475 D476 P480	G441-G478 WeakPolarHBondContact CA-O 3.22Å; S474-G478 PolarHBondContact O-N 2.87Å; K475-G478 PolarHBondContact O-N 3.06Å; D476-G478 VanDerWaalsContact C-N 3.27Å; D476-G478 PolarHBondContact O-N 3.46Å; G478-P480 VanDerWaalsContact C-CD 3.48Å; G478-P480 WeakPolarHBondContact O-CD 3.31Å
479	M	97.3	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.			trans	-115.8	73.2	172.4	-176.4	-166	73.4	0	0	108.8	F438 V442 I444 S474 I481 C560 I563 N564	F438-M479 HydrophobicContact CD2-CB 3.8Å; F438-M479 HydrophobicContact CE2-CB 3.79Å; F438-M479 HydrophobicContact CE2-SD 4.4Å; V442-M479 WeakPolarHBondContact O-CA 3.34Å; V442-M479 WeakPolarHBondContact O-CG 3.42Å; I444-M479 HydrophobicContact CD1-CE 3.89Å; I444-M479 HydrophobicContact CD1-CG 4.03Å; I444-M479 HydrophobicContact CD1-SD 3.9Å; I444-M479 HydrophobicContact CG1-CG 4.48Å; S474-M479 CarbonylContact C-O 3.51Å; S474-M479 VanDerWaalsContact C-O 3.3Å; S474-M479 WeakPolarHBondContact CB-O 3.45Å; S474-M479 CarbonylContact O-C 3.53Å; S474-M479 WeakPolarHBondContact O-CA 3.34Å; S474-M479 PolarHBondContact O-N 3.18Å; S474-M479 PolarHBondContact OG-O 3.31Å; M479-I481 HydrophobicContact CE-CD1 4.42Å; M479-I481 PolarHBondContact O-N 3.2Å; M479-C560 HydrophobicContact CE-CB 3.92Å; M479-I563 HydrophobicContact CE-CB 4.07Å; M479-I563 HydrophobicContact CE-CG2 3.87Å; M479-I563 HydrophobicContact SD-CB 4.02Å; M479-I563 HydrophobicContact SD-CG2 3.71Å; M479-N564 HydrophobicContact CG-CB 4.42Å; M479-N564 VanDerWaalsContact SD-CA 3.59Å; M479-N564 HydrophobicContact SD-CB 3.63Å; M479-N564 PolarHBondContact SD-N 3.38Å
480	P	97.1	Very high	96.1	Very high	45 Å²	45	54.5 Å²	54.5	29%	0.292	28%	0.279	S	S	.	.			trans	-66.6	123.7	-170.9	26.9	-33.9	0	0	0	111.6	E443 I444 G478	E443-P480 HydrophobicContact CB-CG 4.39Å; E443-P480 HydrophobicContact CG-CG 4.25Å; I444-P480 PolarHBondContact N-O 3.49Å; G478-P480 VanDerWaalsContact C-CD 3.48Å; G478-P480 WeakPolarHBondContact O-CD 3.31Å
481	I	97.6	Very high	95.9	Very high	10 Å²	10	55 Å²	55	5%	0.051	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-90	108.7	167.2	-62.2	168	0	0	0	109.1	I444 W447 L470 R471 S474 M479	I444-I481 HydrophobicContact CB-CG1 4.05Å; I444-I481 HydrophobicContact CD1-CD1 4.41Å; I444-I481 HydrophobicContact CD1-CG1 3.78Å; I444-I481 HydrophobicContact CG1-CG1 4.4Å; I444-I481 HydrophobicContact CG2-CG1 4.43Å; W447-I481 HydrophobicContact CD2-CG2 4.25Å; W447-I481 HydrophobicContact CG-CG2 4.5Å; W447-I481 HydrophobicContact CZ2-CG2 3.81Å; W447-I481 VanDerWaalsContact NE1-CG2 3.32Å; L470-I481 HydrophobicContact CD2-CD1 4.29Å; L470-I481 HydrophobicContact CG-CD1 4.04Å; R471-I481 HydrophobicContact CG-CB 3.96Å; R471-I481 HydrophobicContact CG-CG2 3.84Å; R471-I481 PolarHBondContact NE-O 2.69Å; S474-I481 WeakPolarHBondContact OG-CG1 3.04Å; S474-I481 PolarHBondContact OG-N 2.9Å; M479-I481 HydrophobicContact CE-CD1 4.42Å; M479-I481 PolarHBondContact O-N 3.2Å
482	Q	93.4	Very high	95.6	Very high	84 Å²	84	58.3 Å²	58.3	39%	0.393	30%	0.302	S	S	.	.			trans	-82.7	141.3	180	-64.3	-169.7	-19.2	0	0	111.4	E443 I444	E443-Q482 HydrophobicContact CG-CG 4.48Å; E443-Q482 PolarHBondContact OE1-NE2 3.43Å; I444-Q482 PolarHBondContact O-N 3.05Å
483	G	90.7	Very high	95.2	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	29%	0.293	S	S	.	.	S	Bend	trans	61.8	-170.7	175.9	0	0	0	0	0	115.5	R471	R471-G483 WeakPolarHBondContact CD-O 3.29Å; R471-G483 PolarHBondContact NE-O 2.87Å
484	Q	94.8	Very high	95	Very high	104 Å²	104	53.1 Å²	53.1	49%	0.486	29%	0.294	S	S	.	.	S	Bend	trans	-87.8	161.7	168.9	-70	-62.3	-19.2	0	0	109.5
485	P	96.4	Very high	94.8	Very high	26 Å²	26	60.1 Å²	60.1	17%	0.169	33%	0.332	C	S	.	.			trans	-61.3	141.3	177	26.4	-33.7	0	0	0	110.6	W447 I449 F487 C488	W447-P485 HydrophobicContact CD2-CB 4Å; W447-P485 HydrophobicContact CE3-CB 3.93Å; W447-P485 HydrophobicContact CH2-CB 3.82Å; W447-P485 HydrophobicContact CH2-CG 3.9Å; W447-P485 HydrophobicContact CZ2-CB 3.89Å; W447-P485 VanDerWaalsContact CZ2-CD 3.46Å; W447-P485 HydrophobicContact CZ2-CG 4.12Å; W447-P485 HydrophobicContact CZ3-CB 3.85Å; W447-P485 HydrophobicContact CZ3-CG 4.29Å; W447-P485 CarbonylContact O-C 3.54Å; W447-P485 VanDerWaalsContact O-CA 3.24Å; W447-P485 WeakPolarHBondContact O-CA 3.25Å; W447-P485 WeakPolarHBondContact O-CB 3.47Å; I449-P485 HydrophobicContact CD1-CB 4.48Å; I449-P485 HydrophobicContact CD1-CG 4.04Å; I449-P485 HydrophobicContact CG1-CB 4.15Å; I449-P485 HydrophobicContact CG1-CG 4.22Å; P485-F487 PolarHBondContact O-N 2.83Å; P485-C488 HydrophobicContact CG-CB 4.3Å
486	C	96.3	Very high	94.8	Very high	38 Å²	38	54.6 Å²	54.6	26%	0.257	31%	0.312	S	S	.	.	S	Bend	trans	-69.7	-16.8	178.7	67.4	0	0	0	0	112.7	M446 W447 Y508	M446-C486 HydrophobicContact CE-CB 3.99Å; W447-C486 PolarHBondContact O-N 3.37Å; W447-C486 PolarHBondContact O-SG 3.13Å; C486-Y508 HydrophobicContact CB-CD1 3.79Å; C486-Y508 HydrophobicContact CB-CE1 3.81Å; C486-Y508 WeakPolarHBondContact O-CE1 3.49Å; C486-Y508 PolarHBondContact O-OH 3Å; C486-Y508 VanDerWaalsContact O-OH 3.11Å; C486-Y508 VanDerWaalsContact SG-CD1 3.56Å
487	F	96.9	Very high	94.8	Very high	29 Å²	29	50.1 Å²	50.1	13%	0.127	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134.4	177.2	178.9	-87.5	0	0	0	110.3	A448 I449 P485 K489 M500 L504 Y508	A448-F487 CarbonylContact C-O 3.6Å; A448-F487 WeakPolarHBondContact CA-O 3.27Å; A448-F487 HydrophobicContact CB-CB 3.96Å; A448-F487 HydrophobicContact CB-CD1 4.44Å; I449-F487 PolarHBondContact N-O 2.95Å; P485-F487 PolarHBondContact O-N 2.83Å; F487-K489 HydrophobicContact CD2-CG 4.38Å; F487-K489 HydrophobicContact CE1-CB 3.61Å; F487-K489 HydrophobicContact CE1-CG 3.81Å; F487-K489 HydrophobicContact CE2-CB 4.34Å; F487-K489 HydrophobicContact CE2-CG 3.65Å; F487-K489 HydrophobicContact CZ-CB 3.52Å; F487-K489 HydrophobicContact CZ-CG 3.33Å; F487-M500 HydrophobicContact CE1-CE 4.35Å; F487-M500 HydrophobicContact CE1-CG 4.34Å; F487-M500 HydrophobicContact CE1-SD 4.01Å; F487-M500 HydrophobicContact CZ-CE 4.29Å; F487-M500 HydrophobicContact CZ-CG 4.38Å; F487-M500 HydrophobicContact CZ-SD 4.4Å; F487-L504 HydrophobicContact CB-CD2 3.68Å; F487-L504 HydrophobicContact CD1-CD2 3.69Å; F487-L504 HydrophobicContact CD2-CD2 3.95Å; F487-L504 HydrophobicContact CE1-CD2 4.21Å; F487-L504 HydrophobicContact CE2-CD2 4.46Å; F487-L504 HydrophobicContact CG-CD2 3.52Å; F487-Y508 HydrophobicContact CB-CE2 3.98Å; F487-Y508 HydrophobicContact CD2-CE2 4.17Å; F487-Y508 HydrophobicContact CG-CE2 4.44Å
488	C	96.6	Very high	94.9	Very high	56 Å²	56	52.2 Å²	52.2	38%	0.378	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	107.7	173.3	-176.1	0	0	0	0	109.9	I449 P485	I449-C488 HydrophobicContact CB-CB 4.35Å; I449-C488 WeakPolarHBondContact O-CA 3.29Å; P485-C488 HydrophobicContact CG-CB 4.3Å
489	K	95.9	Very high	95	Very high	127 Å²	127	55.1 Å²	55.1	55%	0.552	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.4	179.9	-69.4	-69.4	-175.7	175.7	0	112.8	I449 C451 F487	I449-K489 PolarHBondContact O-N 2.88Å; C451-K489 PolarHBondContact N-O 3.25Å; F487-K489 HydrophobicContact CD2-CG 4.38Å; F487-K489 HydrophobicContact CE1-CB 3.61Å; F487-K489 HydrophobicContact CE1-CG 3.81Å; F487-K489 HydrophobicContact CE2-CB 4.34Å; F487-K489 HydrophobicContact CE2-CG 3.65Å; F487-K489 HydrophobicContact CZ-CB 3.52Å; F487-K489 HydrophobicContact CZ-CG 3.33Å
490	Y	95.8	Very high	95	Very high	62 Å²	62	56.4 Å²	56.4	24%	0.243	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.2	169.3	-62.8	-87.5	0	0	0	110.9	C451 Q455 C458 R459 E460 L463	C451-Y490 HydrophobicContact CB-CD1 3.73Å; C451-Y490 HydrophobicContact CB-CE1 3.97Å; C451-Y490 HydrophobicContact CB-CG 4.43Å; C451-Y490 CarbonylContact O-C 3.52Å; C451-Y490 VanDerWaalsContact O-CA 3.23Å; C451-Y490 WeakPolarHBondContact O-CA 3.48Å; Q455-Y490 HydrophobicContact CB-CD1 4.41Å; Q455-Y490 HydrophobicContact CB-CE1 4.2Å; Q455-Y490 HydrophobicContact CG-CE1 4.37Å; Q455-Y490 HydrophobicContact CG-CE2 4.14Å; C458-Y490 VanDerWaalsContact O-CE1 3.23Å; C458-Y490 WeakPolarHBondContact O-CE1 3.18Å; C458-Y490 PolarHBondContact O-OH 3.31Å; R459-Y490 VanDerWaalsContact C-OH 3.29Å; E460-Y490 HydrophobicContact CG-CE2 3.96Å; E460-Y490 WeakPolarHBondContact CG-OH 3.49Å; E460-Y490 PolarHBondContact N-OH 3.31Å; L463-Y490 HydrophobicContact CD1-CE1 4.24Å; L463-Y490 HydrophobicContact CD1-CE2 4.5Å; L463-Y490 WeakPolarHBondContact CD1-OH 3.44Å
491	A	94.6	Very high	95	Very high	11 Å²	11	54.3 Å²	54.3	9%	0.091	31%	0.305	C	S	.	.			trans	-144	163.3	174.4	0	0	0	0	0	110.7	C451 F452 M500	C451-A491 PolarHBondContact O-N 2.77Å; F452-A491 WeakPolarHBondContact CA-O 3.36Å; F452-A491 HydrophobicContact CD1-CB 3.94Å; F452-A491 HydrophobicContact CE1-CB 3.66Å; F452-A491 HydrophobicContact CE2-CB 4.46Å; F452-A491 HydrophobicContact CG-CB 4.47Å; F452-A491 HydrophobicContact CZ-CB 3.93Å; A491-M500 HydrophobicContact CB-CE 3.65Å
492	Q	91.1	Very high	95	Very high	149 Å²	149	59.5 Å²	59.5	70%	0.696	32%	0.324	S	S	*	.			trans	-137.9	150	176.3	-63.9	-170.3	3	0	0	110.4	S496	Q492-S496 WeakPolarHBondContact O-CB 3.47Å; Q492-S496 PolarHBondContact O-OG 3.28Å
493	G	89.1	Confident	95.2	Very high	42 Å²	42	59.9 Å²	59.9	43%	0.433	33%	0.325	S	S	.	.	S	Bend	trans	74.9	164.6	-179.4	0	0	0	0	0	114	F452 S496	F452-G493 WeakPolarHBondContact CE1-O 3.26Å; G493-S496 PolarHBondContact O-OG 3.33Å; G493-S496 VanDerWaalsContact O-OG 3.14Å
494	A	92.2	Very high	95.5	Very high	23 Å²	23	58 Å²	58	19%	0.19	31%	0.305	C	S	.	.	S	Bend	trans	-74.6	-33.6	174.9	0	0	0	0	0	111.3	S496 V497 V524 E527	A494-S496 PolarHBondContact O-N 2.98Å; A494-S496 VanDerWaalsContact O-N 3.08Å; A494-V497 VanDerWaalsContact O-CB 3.29Å; A494-V497 WeakPolarHBondContact O-CB 3.48Å; A494-V497 WeakPolarHBondContact O-CG2 3.14Å; A494-V497 PolarHBondContact O-N 3.31Å; A494-V524 HydrophobicContact CB-CG2 4.44Å; A494-E527 HydrophobicContact CB-CB 4.1Å; A494-E527 HydrophobicContact CB-CG 4.17Å
495	D	92.9	Very high	95.6	Very high	147 Å²	147	56.8 Å²	56.8	79%	0.786	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.2	-175.1	-48.5	-36.9	0	0	0	113.7	P499	D495-P499 WeakPolarHBondContact O-CD 3.37Å
496	S	95.1	Very high	95.6	Very high	33 Å²	33	61.5 Å²	61.5	23%	0.231	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.7	177.4	59.8	0	0	0	0	114.1	F452 Q492 G493 A494 M500	F452-S496 WeakPolarHBondContact CE1-OG 3.48Å; Q492-S496 WeakPolarHBondContact O-CB 3.47Å; Q492-S496 PolarHBondContact O-OG 3.28Å; G493-S496 PolarHBondContact O-OG 3.33Å; G493-S496 VanDerWaalsContact O-OG 3.14Å; A494-S496 PolarHBondContact O-N 2.98Å; A494-S496 VanDerWaalsContact O-N 3.08Å; S496-M500 WeakPolarHBondContact O-CB 3.4Å; S496-M500 PolarHBondContact O-N 2.9Å
497	V	96.4	Very high	95.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-54.1	-177.4	176	0	0	0	0	111.4	F452 A494 M500 F501 V524 E527 V528 V531	F452-V497 HydrophobicContact CE1-CG2 3.7Å; F452-V497 HydrophobicContact CE2-CG2 4.45Å; F452-V497 HydrophobicContact CZ-CB 4.41Å; F452-V497 HydrophobicContact CZ-CG2 3.52Å; A494-V497 VanDerWaalsContact O-CB 3.29Å; A494-V497 WeakPolarHBondContact O-CB 3.48Å; A494-V497 WeakPolarHBondContact O-CG2 3.14Å; A494-V497 PolarHBondContact O-N 3.31Å; V497-M500 PolarHBondContact O-N 2.67Å; V497-F501 HydrophobicContact CG1-CD1 4.43Å; V497-F501 HydrophobicContact CG1-CD2 4.47Å; V497-F501 HydrophobicContact CG1-CE1 4.34Å; V497-F501 HydrophobicContact CG1-CE2 4.33Å; V497-F501 HydrophobicContact CG1-CZ 4.28Å; V497-F501 WeakPolarHBondContact O-CB 3.23Å; V497-F501 WeakPolarHBondContact O-CD1 3.42Å; V497-F501 PolarHBondContact O-N 3.34Å; V497-V524 HydrophobicContact CG2-CG1 3.92Å; V497-E527 HydrophobicContact CB-CG 3.78Å; V497-E527 HydrophobicContact CG1-CG 4.1Å; V497-E527 HydrophobicContact CG2-CB 4.47Å; V497-E527 HydrophobicContact CG2-CG 3.97Å; V497-V528 HydrophobicContact CG1-CB 4.43Å; V497-V528 HydrophobicContact CG1-CG2 3.83Å; V497-V528 HydrophobicContact CG2-CG2 3.93Å; V497-V531 HydrophobicContact CG1-CB 4.12Å; V497-V531 HydrophobicContact CG1-CG1 4.48Å; V497-V531 HydrophobicContact CG1-CG2 4.03Å
498	E	96.6	Very high	95.6	Very high	50 Å²	50	64.3 Å²	64.3	23%	0.234	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-49.4	-176	-177.9	175.7	148.5	0	0	112.7	M500 F501 R502 R530 V531 L535	E498-M500 VanDerWaalsContact C-N 3.33Å; E498-M500 PolarHBondContact O-N 2.73Å; E498-F501 PolarHBondContact O-N 3.34Å; E498-R502 WeakPolarHBondContact O-CB 3.23Å; E498-R502 PolarHBondContact O-N 2.87Å; E498-R502 IonicContact OE1-CZ 3.15Å; E498-R502 IonicContact OE1-NH2 3.97Å; E498-R502 PolarHBondContact OE1-NH2 2.95Å; E498-R530 IonicContact OE2-CZ 3.98Å; E498-R530 IonicContact OE2-NH1 3.83Å; E498-R530 IonicContact OE2-NH2 2.9Å; E498-R530 PolarHBondContact OE2-NH2 3.44Å; E498-V531 HydrophobicContact CB-CG1 4.39Å; E498-V531 HydrophobicContact CB-CG2 3.83Å; E498-V531 HydrophobicContact CG-CG1 4.49Å; E498-V531 HydrophobicContact CG-CG2 4.37Å; E498-L535 VanDerWaalsContact CD-CD2 3.44Å; E498-L535 HydrophobicContact CG-CD2 3.88Å; E498-L535 WeakPolarHBondContact OE2-CD2 3.18Å
499	P	97.4	Very high	95.5	Very high	81 Å²	81	66 Å²	66	53%	0.526	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-43.3	177.1	-24	34.7	0	0	0	112.5	D495 R502 H503	D495-P499 WeakPolarHBondContact O-CD 3.37Å; P499-R502 PolarHBondContact O-N 2.79Å; P499-H503 WeakPolarHBondContact O-CB 3.35Å; P499-H503 PolarHBondContact O-N 2.98Å
500	M	97.4	Very high	95.3	Very high	27 Å²	27	62.9 Å²	62.9	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-45.3	179	-179.7	176.5	-70.4	0	0	111.6	A450 F487 A491 S496 V497 E498 H503 L504	A450-M500 HydrophobicContact CB-SD 3.64Å; F487-M500 HydrophobicContact CE1-CE 4.35Å; F487-M500 HydrophobicContact CE1-CG 4.34Å; F487-M500 HydrophobicContact CE1-SD 4.01Å; F487-M500 HydrophobicContact CZ-CE 4.29Å; F487-M500 HydrophobicContact CZ-CG 4.38Å; F487-M500 HydrophobicContact CZ-SD 4.4Å; A491-M500 HydrophobicContact CB-CE 3.65Å; S496-M500 WeakPolarHBondContact O-CB 3.4Å; S496-M500 PolarHBondContact O-N 2.9Å; V497-M500 PolarHBondContact O-N 2.67Å; E498-M500 VanDerWaalsContact C-N 3.33Å; E498-M500 PolarHBondContact O-N 2.73Å; M500-H503 PolarHBondContact O-N 2.9Å; M500-L504 HydrophobicContact CG-CD1 4.18Å; M500-L504 HydrophobicContact CG-CG 4.48Å; M500-L504 VanDerWaalsContact O-CG 3.31Å; M500-L504 WeakPolarHBondContact O-CG 3.29Å; M500-L504 PolarHBondContact O-N 3.36Å
501	F	98.1	Very high	95.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-36.5	-178.4	-79	24.2	0	0	0	111.9	V497 E498 H503 L504 K505 I514 V516 V528 V531 L536 M538 T540	V497-F501 HydrophobicContact CG1-CD1 4.43Å; V497-F501 HydrophobicContact CG1-CD2 4.47Å; V497-F501 HydrophobicContact CG1-CE1 4.34Å; V497-F501 HydrophobicContact CG1-CE2 4.33Å; V497-F501 HydrophobicContact CG1-CZ 4.28Å; V497-F501 WeakPolarHBondContact O-CB 3.23Å; V497-F501 WeakPolarHBondContact O-CD1 3.42Å; V497-F501 PolarHBondContact O-N 3.34Å; E498-F501 PolarHBondContact O-N 3.34Å; F501-H503 VanDerWaalsContact C-N 3.35Å; F501-L504 HydrophobicContact CD1-CD1 4.38Å; F501-L504 PolarHBondContact O-N 3.39Å; F501-K505 WeakPolarHBondContact O-CB 3.23Å; F501-K505 PolarHBondContact O-N 3.42Å; F501-I514 HydrophobicContact CD1-CD1 3.91Å; F501-I514 HydrophobicContact CD2-CD1 4.06Å; F501-I514 HydrophobicContact CE1-CD1 3.94Å; F501-I514 HydrophobicContact CE1-CG2 4.02Å; F501-I514 HydrophobicContact CE2-CD1 4.13Å; F501-I514 HydrophobicContact CG-CD1 3.97Å; F501-I514 HydrophobicContact CZ-CD1 4.04Å; F501-I514 HydrophobicContact CZ-CG2 4.17Å; F501-V516 HydrophobicContact CE1-CG2 4.47Å; F501-V516 HydrophobicContact CZ-CG2 3.99Å; F501-V528 HydrophobicContact CE2-CG1 4.27Å; F501-V528 HydrophobicContact CZ-CG1 4.05Å; F501-V528 HydrophobicContact CZ-CG2 4.37Å; F501-V531 HydrophobicContact CB-CG1 3.82Å; F501-V531 HydrophobicContact CD2-CB 4.29Å; F501-V531 HydrophobicContact CD2-CG1 3.66Å; F501-V531 HydrophobicContact CG-CG1 4.07Å; F501-L536 HydrophobicContact CB-CD1 3.58Å; F501-M538 HydrophobicContact CB-SD 4.27Å; F501-T540 HydrophobicContact CE2-CG2 3.51Å; F501-T540 HydrophobicContact CZ-CG2 3.9Å
502	R	97.6	Very high	95.6	Very high	120 Å²	120	63.6 Å²	63.6	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-43.7	173.6	-171.5	177.7	-70.3	155.9	6.7	111	E498 P499 K505 N506 L536	E498-R502 WeakPolarHBondContact O-CB 3.23Å; E498-R502 PolarHBondContact O-N 2.87Å; E498-R502 IonicContact OE1-CZ 3.15Å; E498-R502 IonicContact OE1-NH2 3.97Å; E498-R502 PolarHBondContact OE1-NH2 2.95Å; P499-R502 PolarHBondContact O-N 2.79Å; R502-K505 PolarHBondContact O-N 2.86Å; R502-N506 WeakPolarHBondContact O-CB 3.28Å; R502-N506 VanDerWaalsContact O-CG 3.27Å; R502-N506 PolarHBondContact O-N 2.93Å; R502-N506 VanDerWaalsContact O-N 3.12Å; R502-L536 HydrophobicContact CB-CD1 4.44Å
503	H	97.3	Very high	95.9	Very high	92 Å²	92	56.5 Å²	56.5	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-48.7	172.5	177.1	76.2	0	0	0	111.4	P499 M500 F501 K505 N506 T507	P499-H503 WeakPolarHBondContact O-CB 3.35Å; P499-H503 PolarHBondContact O-N 2.98Å; M500-H503 PolarHBondContact O-N 2.9Å; F501-H503 VanDerWaalsContact C-N 3.35Å; H503-K505 VanDerWaalsContact C-N 3.34Å; H503-K505 PolarHBondContact O-N 3.45Å; H503-N506 PolarHBondContact O-N 2.77Å; H503-T507 PolarHBondContact CE1-OG1 2.78Å; H503-T507 PolarHBondContact ND1-OG1 3.47Å; H503-T507 PolarHBondContact NE2-OG1 2.95Å; H503-T507 VanDerWaalsContact O-CB 3.26Å; H503-T507 WeakPolarHBondContact O-CB 3.37Å; H503-T507 PolarHBondContact O-N 2.87Å; H503-T507 PolarHBondContact O-OG1 2.63Å
504	L	97.3	Very high	96.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-43.6	179.1	-74.8	174.8	0	0	0	112.9	A448 F487 M500 F501 Y508 L511 I514 M538	A448-L504 HydrophobicContact CB-CD1 4.25Å; A448-L504 HydrophobicContact CB-CD2 4.04Å; F487-L504 HydrophobicContact CB-CD2 3.68Å; F487-L504 HydrophobicContact CD1-CD2 3.69Å; F487-L504 HydrophobicContact CD2-CD2 3.95Å; F487-L504 HydrophobicContact CE1-CD2 4.21Å; F487-L504 HydrophobicContact CE2-CD2 4.46Å; F487-L504 HydrophobicContact CG-CD2 3.52Å; M500-L504 HydrophobicContact CG-CD1 4.18Å; M500-L504 HydrophobicContact CG-CG 4.48Å; M500-L504 VanDerWaalsContact O-CG 3.31Å; M500-L504 WeakPolarHBondContact O-CG 3.29Å; M500-L504 PolarHBondContact O-N 3.36Å; F501-L504 HydrophobicContact CD1-CD1 4.38Å; F501-L504 PolarHBondContact O-N 3.39Å; L504-Y508 HydrophobicContact CD2-CD2 3.81Å; L504-Y508 HydrophobicContact CD2-CE2 3.75Å; L504-Y508 PolarHBondContact O-N 3.23Å; L504-Y508 VanDerWaalsContact O-N 3.16Å; L504-L511 HydrophobicContact CB-CD2 3.82Å; L504-I514 HydrophobicContact CD1-CD1 3.69Å; L504-I514 HydrophobicContact CD1-CG1 4.16Å; L504-I514 HydrophobicContact CD1-CG2 4.41Å; L504-M538 HydrophobicContact CB-CE 4.33Å
505	K	96.1	Very high	96.7	Very high	79 Å²	79	53.5 Å²	53.5	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-39.8	179.2	-170.3	172.3	179.5	175.6	0	112.4	F501 R502 H503 L536 M538	F501-K505 WeakPolarHBondContact O-CB 3.23Å; F501-K505 PolarHBondContact O-N 3.42Å; R502-K505 PolarHBondContact O-N 2.86Å; H503-K505 VanDerWaalsContact C-N 3.34Å; H503-K505 PolarHBondContact O-N 3.45Å; K505-L536 HydrophobicContact CD-CB 4.29Å; K505-L536 PolarHBondContact NZ-O 3.26Å; K505-M538 HydrophobicContact CB-CE 3.87Å; K505-M538 HydrophobicContact CB-SD 3.83Å; K505-M538 HydrophobicContact CD-CG 4.41Å; K505-M538 HydrophobicContact CD-SD 4.3Å; K505-M538 HydrophobicContact CG-CE 4.47Å; K505-M538 HydrophobicContact CG-SD 4.34Å
506	N	96.8	Very high	96.9	Very high	126 Å²	126	46.5 Å²	46.5	67%	0.674	26%	0.262	S	S	*	.	H	α-helix	trans	-82.3	-33.6	-175.7	-66.6	-8.3	0	0	0	112.7	R502 H503	R502-N506 WeakPolarHBondContact O-CB 3.28Å; R502-N506 VanDerWaalsContact O-CG 3.27Å; R502-N506 PolarHBondContact O-N 2.93Å; R502-N506 VanDerWaalsContact O-N 3.12Å; H503-N506 PolarHBondContact O-N 2.77Å
507	T	97.3	Very high	97.1	Very high	71 Å²	71	44.9 Å²	44.9	44%	0.436	25%	0.251	S	S	.	.	H	α-helix	trans	-83.3	-38.9	-175.5	-56	0	0	0	0	112.5	H503	H503-T507 PolarHBondContact CE1-OG1 2.78Å; H503-T507 PolarHBondContact ND1-OG1 3.47Å; H503-T507 PolarHBondContact NE2-OG1 2.95Å; H503-T507 VanDerWaalsContact O-CB 3.26Å; H503-T507 WeakPolarHBondContact O-CB 3.37Å; H503-T507 PolarHBondContact O-N 2.87Å; H503-T507 PolarHBondContact O-OG1 2.63Å
508	Y	96.3	Very high	97.1	Very high	55 Å²	55	45.2 Å²	45.2	22%	0.216	25%	0.252	C	S	.	.	S	Bend	trans	-110	90.5	-172	-59.1	-82.5	0	0	0	110.9	M446 C486 F487 L504 G510 L511	M446-Y508 HydrophobicContact CE-CD1 4.25Å; C486-Y508 HydrophobicContact CB-CD1 3.79Å; C486-Y508 HydrophobicContact CB-CE1 3.81Å; C486-Y508 WeakPolarHBondContact O-CE1 3.49Å; C486-Y508 PolarHBondContact O-OH 3Å; C486-Y508 VanDerWaalsContact O-OH 3.11Å; C486-Y508 VanDerWaalsContact SG-CD1 3.56Å; F487-Y508 HydrophobicContact CB-CE2 3.98Å; F487-Y508 HydrophobicContact CD2-CE2 4.17Å; F487-Y508 HydrophobicContact CG-CE2 4.44Å; L504-Y508 HydrophobicContact CD2-CD2 3.81Å; L504-Y508 HydrophobicContact CD2-CE2 3.75Å; L504-Y508 PolarHBondContact O-N 3.23Å; L504-Y508 VanDerWaalsContact O-N 3.16Å; Y508-G510 PolarHBondContact O-N 3.15Å; Y508-L511 WeakPolarHBondContact O-CB 3.41Å; Y508-L511 PolarHBondContact O-N 2.84Å
509	A	93.8	Very high	97	Very high	90 Å²	90	45.5 Å²	45.5	74%	0.744	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	133.2	174.2	0	0	0	0	0	111	L511	A509-L511 VanDerWaalsContact C-N 3.35Å; A509-L511 PolarHBondContact O-N 2.89Å
510	G	92.8	Very high	96.7	Very high	62 Å²	62	42.9 Å²	42.9	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	14.9	-179.7	0	0	0	0	0	115.4	M446 Y508 Q512	M446-G510 WeakPolarHBondContact CB-O 3.4Å; Y508-G510 PolarHBondContact O-N 3.15Å; G510-Q512 WeakPolarHBondContact O-CG 3.45Å; G510-Q512 PolarHBondContact O-N 2.97Å
511	L	97.2	Very high	96.2	Very high	32 Å²	32	49.9 Å²	49.9	17%	0.168	28%	0.276	C	S	.	.			trans	-55.6	118.5	175.2	179.3	62.5	0	0	0	111.8	A448 L504 Y508 A509 I514 M538	A448-L511 HydrophobicContact CB-CD1 4.19Å; L504-L511 HydrophobicContact CB-CD2 3.82Å; Y508-L511 WeakPolarHBondContact O-CB 3.41Å; Y508-L511 PolarHBondContact O-N 2.84Å; A509-L511 VanDerWaalsContact C-N 3.35Å; A509-L511 PolarHBondContact O-N 2.89Å; L511-I514 HydrophobicContact CD2-CD1 4.41Å; L511-I514 HydrophobicContact CD2-CG1 4.15Å; L511-M538 HydrophobicContact CD2-CE 3.47Å; L511-M538 VanDerWaalsContact CD2-CE 3.47Å; L511-M538 HydrophobicContact CG-CE 4.37Å
512	Q	98	Very high	95.8	Very high	56 Å²	56	51.4 Å²	51.4	26%	0.262	29%	0.285	S	S	.	.			trans	-93.2	-37.6	-175.5	-64.2	170	-84.7	0	0	112.7	E443 M446 G510 A539 L567	E443-Q512 PolarHBondContact O-NE2 2.84Å; M446-Q512 WeakPolarHBondContact O-CB 3.46Å; M446-Q512 PolarHBondContact O-N 2.88Å; G510-Q512 WeakPolarHBondContact O-CG 3.45Å; G510-Q512 PolarHBondContact O-N 2.97Å; Q512-A539 WeakPolarHBondContact O-CB 3.42Å; Q512-L567 HydrophobicContact CB-CD2 4.27Å; Q512-L567 WeakPolarHBondContact O-CD2 3.44Å
513	L	98.4	Very high	95.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	139.3	-169.9	-178.4	69.4	0	0	0	112.8	W447 A448 I515 A539 Q541 I563 L567	W447-L513 CarbonylContact C-O 3.47Å; W447-L513 VanDerWaalsContact CA-O 3.28Å; W447-L513 WeakPolarHBondContact CA-O 3.41Å; W447-L513 HydrophobicContact CB-CB 4.22Å; A448-L513 PolarHBondContact N-O 2.97Å; L513-I515 HydrophobicContact CD2-CD1 4.24Å; L513-I515 HydrophobicContact CD2-CG1 3.84Å; L513-I515 HydrophobicContact CG-CG1 4.23Å; L513-A539 HydrophobicContact CD1-CB 4.41Å; L513-Q541 HydrophobicContact CD1-CB 4.05Å; L513-I563 HydrophobicContact CD2-CD1 4.2Å; L513-I563 HydrophobicContact CD2-CG1 4.22Å; L513-I563 HydrophobicContact CD2-CG2 3.68Å; L513-L567 HydrophobicContact CB-CD2 4.46Å
514	I	98.6	Very high	95.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.9	164	-52.5	173.7	0	0	0	109.6	A450 F501 L504 L511 V516 M538 A539 T540 Q541	A450-I514 HydrophobicContact CB-CG2 4.31Å; F501-I514 HydrophobicContact CD1-CD1 3.91Å; F501-I514 HydrophobicContact CD2-CD1 4.06Å; F501-I514 HydrophobicContact CE1-CD1 3.94Å; F501-I514 HydrophobicContact CE1-CG2 4.02Å; F501-I514 HydrophobicContact CE2-CD1 4.13Å; F501-I514 HydrophobicContact CG-CD1 3.97Å; F501-I514 HydrophobicContact CZ-CD1 4.04Å; F501-I514 HydrophobicContact CZ-CG2 4.17Å; L504-I514 HydrophobicContact CD1-CD1 3.69Å; L504-I514 HydrophobicContact CD1-CG1 4.16Å; L504-I514 HydrophobicContact CD1-CG2 4.41Å; L511-I514 HydrophobicContact CD2-CD1 4.41Å; L511-I514 HydrophobicContact CD2-CG1 4.15Å; I514-V516 HydrophobicContact CG2-CG2 3.83Å; I514-M538 HydrophobicContact CD1-CE 3.6Å; I514-M538 HydrophobicContact CD1-SD 4.18Å; I514-M538 HydrophobicContact CG1-CE 4.36Å; I514-A539 PolarHBondContact N-O 3.11Å; I514-T540 HydrophobicContact CB-CG2 4.4Å; I514-T540 WeakPolarHBondContact O-CA 3.44Å; I514-Q541 PolarHBondContact O-N 3.47Å
515	I	98.6	Very high	95.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.8	168.5	-62.6	-176.3	0	0	0	108.5	W447 A448 I449 A450 F466 L470 L513 Q541 V543	W447-I515 HydrophobicContact CE3-CD1 4.06Å; W447-I515 HydrophobicContact CE3-CG1 4.45Å; W447-I515 HydrophobicContact CZ3-CD1 3.9Å; A448-I515 PolarHBondContact O-N 3.41Å; I449-I515 WeakPolarHBondContact CA-O 3.41Å; I449-I515 HydrophobicContact CG1-CB 4.42Å; A450-I515 PolarHBondContact N-O 2.98Å; F466-I515 HydrophobicContact CE1-CG2 4.4Å; L470-I515 HydrophobicContact CD2-CD1 3.65Å; L513-I515 HydrophobicContact CD2-CD1 4.24Å; L513-I515 HydrophobicContact CD2-CG1 3.84Å; L513-I515 HydrophobicContact CG-CG1 4.23Å; I515-Q541 WeakPolarHBondContact CA-O 3.27Å; I515-V543 HydrophobicContact CG2-CG2 4.28Å
516	V	98.6	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.6	-176.2	-173	0	0	0	0	110.4	A450 F452 F501 I514 L518 V528 Q541 C542 V543	A450-V516 CarbonylContact O-C 3.48Å; A450-V516 WeakPolarHBondContact O-CA 3.42Å; F452-V516 HydrophobicContact CD2-CG1 3.63Å; F452-V516 HydrophobicContact CE2-CG1 3.8Å; F501-V516 HydrophobicContact CE1-CG2 4.47Å; F501-V516 HydrophobicContact CZ-CG2 3.99Å; I514-V516 HydrophobicContact CG2-CG2 3.83Å; V516-L518 HydrophobicContact CG1-CD2 3.98Å; V516-L518 HydrophobicContact CG1-CG 4.38Å; V516-V528 HydrophobicContact CG1-CG2 4.04Å; V516-V528 HydrophobicContact CG2-CG1 4.01Å; V516-Q541 PolarHBondContact N-O 3.37Å; V516-C542 CarbonylContact O-C 3.3Å; V516-C542 WeakPolarHBondContact O-CA 3.38Å; V516-V543 PolarHBondContact O-N 3.3Å
517	I	98.3	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.9	-179.1	-59	169	0	0	0	109.1	I449 A450 C451 F452 A453 L463 V543 V545 V548	I449-I517 HydrophobicContact CG2-CD1 3.96Å; A450-I517 PolarHBondContact O-N 3.21Å; C451-I517 HydrophobicContact CB-CB 4.41Å; F452-I517 WeakPolarHBondContact CA-O 3.29Å; F452-I517 WeakPolarHBondContact CB-O 3.46Å; F452-I517 PolarHBondContact N-O 2.73Å; A453-I517 HydrophobicContact CB-CG2 4.36Å; L463-I517 HydrophobicContact CD2-CD1 3.11Å; I517-V543 WeakPolarHBondContact CA-O 3.45Å; I517-V545 HydrophobicContact CG2-CB 4.24Å; I517-V545 HydrophobicContact CG2-CG2 4.5Å; I517-V548 HydrophobicContact CD1-CG1 4.13Å; I517-V548 HydrophobicContact CD1-CG2 4.13Å; I517-V548 HydrophobicContact CG1-CG2 4.06Å; I517-V548 HydrophobicContact CG2-CG2 3.95Å
518	L	97.3	Very high	95.2	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142	-173.6	-61	173.1	0	0	0	111.5	F452 V516 G520 T522 V524 Y525 C542 V543 V545	F452-L518 HydrophobicContact CB-CD2 4.27Å; V516-L518 HydrophobicContact CG1-CD2 3.98Å; V516-L518 HydrophobicContact CG1-CG 4.38Å; L518-G520 PolarHBondContact O-N 2.96Å; L518-G520 VanDerWaalsContact O-N 3.13Å; L518-T522 HydrophobicContact CB-CG2 4.2Å; L518-T522 HydrophobicContact CD2-CG2 4Å; L518-T522 HydrophobicContact CG-CG2 4.47Å; L518-V524 HydrophobicContact CD2-CB 4.09Å; L518-V524 HydrophobicContact CD2-CG1 3.67Å; L518-Y525 HydrophobicContact CD1-CD2 3.88Å; L518-Y525 HydrophobicContact CD1-CG 4.44Å; L518-C542 HydrophobicContact CD1-CB 3.84Å; L518-V543 PolarHBondContact N-O 3.13Å; L518-V545 PolarHBondContact O-N 2.8Å
519	P	93.4	Very high	95.2	Very high	57 Å²	57	34.4 Å²	34.4	37%	0.37	21%	0.212	S	C	.	.	S	Bend	trans	-72.9	-2	-178.2	29.5	-35.2	0	0	0	114.2	A453	A453-P519 HydrophobicContact CB-CB 4.43Å
520	G	91.3	Very high	95.3	Very high	25 Å²	25	32.7 Å²	32.7	26%	0.258	19%	0.186	S	C	.	.	S	Bend	trans	144.2	-137.5	-175.9	0	0	0	0	0	111.3	L518	L518-G520 PolarHBondContact O-N 2.96Å; L518-G520 VanDerWaalsContact O-N 3.13Å
521	K	87.7	Confident	95.4	Very high	175 Å²	175	29.8 Å²	29.8	76%	0.761	16%	0.156	S	C	*	.	S	Bend	trans	-79.2	116.1	171.4	-170.3	177.2	-173.4	174.5	0	108.5	D354	D354-K521 IonicContact OD1-NZ 2.77Å; D354-K521 PolarHBondContact OD1-NZ 3.34Å; D354-K521 IonicContact OD2-NZ 3.14Å; D354-K521 PolarHBondContact OD2-NZ 3.29Å
522	T	89.8	Confident	95.4	Very high	32 Å²	32	28.2 Å²	28.2	20%	0.196	15%	0.148	C	C	.	.			trans	-148.4	146.9	-174.1	172.4	0	0	0	0	110.2	L518 V524 Y525	L518-T522 HydrophobicContact CB-CG2 4.2Å; L518-T522 HydrophobicContact CD2-CG2 4Å; L518-T522 HydrophobicContact CG-CG2 4.47Å; T522-V524 HydrophobicContact CG2-CB 3.91Å; T522-V524 HydrophobicContact CG2-CG2 4.45Å; T522-V524 PolarHBondContact O-N 2.84Å; T522-V524 WeakPolarHBondContact OG1-CG2 3.19Å; T522-V524 PolarHBondContact OG1-N 2.86Å; T522-Y525 PolarHBondContact O-N 2.77Å
523	P	90.1	Very high	95.4	Very high	93 Å²	93	25.8 Å²	25.8	60%	0.604	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.4	172.9	25	-35.4	0	0	0	112.9	Y525 A526 E527	P523-Y525 PolarHBondContact O-N 3.4Å; P523-A526 WeakPolarHBondContact O-CB 3.35Å; P523-A526 PolarHBondContact O-N 3.13Å; P523-E527 PolarHBondContact O-N 3.4Å
524	V	94.4	Very high	95.2	Very high	5 Å²	5	27 Å²	27	3%	0.03	14%	0.144	C	C	.	.	H	α-helix	trans	-52.7	-32.1	177.5	178.9	0	0	0	0	112.4	F452 A494 V497 L518 T522 A526 E527 V528	F452-V524 HydrophobicContact CB-CG1 4.33Å; F452-V524 HydrophobicContact CD1-CG1 3.66Å; F452-V524 HydrophobicContact CD1-CG2 4.26Å; F452-V524 HydrophobicContact CD2-CG1 4.12Å; F452-V524 HydrophobicContact CE1-CG1 3.88Å; F452-V524 HydrophobicContact CE2-CG1 4.34Å; F452-V524 HydrophobicContact CG-CG1 3.78Å; F452-V524 HydrophobicContact CZ-CG1 4.24Å; A494-V524 HydrophobicContact CB-CG2 4.44Å; V497-V524 HydrophobicContact CG2-CG1 3.92Å; L518-V524 HydrophobicContact CD2-CB 4.09Å; L518-V524 HydrophobicContact CD2-CG1 3.67Å; T522-V524 HydrophobicContact CG2-CB 3.91Å; T522-V524 HydrophobicContact CG2-CG2 4.45Å; T522-V524 PolarHBondContact O-N 2.84Å; T522-V524 WeakPolarHBondContact OG1-CG2 3.19Å; T522-V524 PolarHBondContact OG1-N 2.86Å; V524-A526 PolarHBondContact O-N 2.83Å; V524-E527 PolarHBondContact O-N 3.12Å; V524-V528 HydrophobicContact CG1-CG2 3.95Å; V524-V528 WeakPolarHBondContact O-CB 3.45Å; V524-V528 WeakPolarHBondContact O-CG2 3.41Å; V524-V528 PolarHBondContact O-N 3Å
525	Y	96	Very high	95	Very high	65 Å²	65	30 Å²	30	26%	0.255	16%	0.159	S	C	.	.	H	α-helix	trans	-61.5	-43.8	177	177.8	-93.4	0	0	0	112.5	L518 T522 P523 K529 C542 Y811	L518-Y525 HydrophobicContact CD1-CD2 3.88Å; L518-Y525 HydrophobicContact CD1-CG 4.44Å; T522-Y525 PolarHBondContact O-N 2.77Å; P523-Y525 PolarHBondContact O-N 3.4Å; Y525-K529 HydrophobicContact CE1-CG 4.11Å; Y525-K529 HydrophobicContact CE2-CG 4.42Å; Y525-K529 WeakPolarHBondContact O-CG 3.44Å; Y525-K529 PolarHBondContact O-N 2.81Å; Y525-C542 HydrophobicContact CD2-CB 4.16Å; Y525-C542 HydrophobicContact CE2-CB 4.17Å; Y525-Y811 AromaticContact CD1-CD1 3.84Å; Y525-Y811 HydrophobicContact CD1-CD1 3.84Å; Y525-Y811 AromaticContact CD1-CE1 3.69Å; Y525-Y811 HydrophobicContact CD1-CE1 3.69Å; Y525-Y811 HydrophobicContact CD1-CE2 4.48Å; Y525-Y811 HydrophobicContact CD1-CG 4.29Å; Y525-Y811 AromaticContact CE1-CD1 4Å; Y525-Y811 HydrophobicContact CE1-CD1 4Å; Y525-Y811 AromaticContact CE1-CD2 3.94Å; Y525-Y811 HydrophobicContact CE1-CD2 3.94Å; Y525-Y811 AromaticContact CE1-CE1 3.92Å; Y525-Y811 HydrophobicContact CE1-CE1 3.92Å; Y525-Y811 AromaticContact CE1-CE2 3.86Å; Y525-Y811 HydrophobicContact CE1-CE2 3.86Å; Y525-Y811 HydrophobicContact CE1-CG 4Å; Y525-Y811 AromaticContact CE1-CZ 3.84Å
526	A	94.8	Very high	94.9	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-46	-179.8	0	0	0	0	0	110.1	P523 V524 V528 K529 R530 Y811 V814	P523-A526 WeakPolarHBondContact O-CB 3.35Å; P523-A526 PolarHBondContact O-N 3.13Å; V524-A526 PolarHBondContact O-N 2.83Å; A526-V528 PolarHBondContact O-N 3.42Å; A526-K529 CarbonylContact O-C 3.58Å; A526-K529 PolarHBondContact O-N 3.47Å; A526-K529 VanDerWaalsContact O-N 3.09Å; A526-R530 PolarHBondContact O-N 3.05Å; A526-Y811 HydrophobicContact CB-CD1 4.05Å; A526-V814 HydrophobicContact CB-CB 4.13Å; A526-V814 HydrophobicContact CB-CG1 4.29Å; A526-V814 HydrophobicContact CB-CG2 4.39Å
527	E	95.5	Very high	94.8	Very high	15 Å²	15	31.6 Å²	31.6	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-42.9	-179.6	-179.6	59.4	-170.5	0	0	112.5	A494 V497 P523 V524 K529 R530 V531	A494-E527 HydrophobicContact CB-CB 4.1Å; A494-E527 HydrophobicContact CB-CG 4.17Å; V497-E527 HydrophobicContact CB-CG 3.78Å; V497-E527 HydrophobicContact CG1-CG 4.1Å; V497-E527 HydrophobicContact CG2-CB 4.47Å; V497-E527 HydrophobicContact CG2-CG 3.97Å; P523-E527 PolarHBondContact O-N 3.4Å; V524-E527 PolarHBondContact O-N 3.12Å; E527-K529 PolarHBondContact O-N 2.98Å; E527-R530 PolarHBondContact O-N 3.47Å; E527-R530 VanDerWaalsContact O-N 3.17Å; E527-R530 IonicContact OE1-CZ 3.17Å; E527-R530 IonicContact OE1-NE 2.8Å; E527-R530 IonicContact OE1-NH2 3.19Å; E527-R530 PolarHBondContact OE1-NH2 2.89Å; E527-R530 IonicContact OE2-CZ 3.25Å; E527-R530 IonicContact OE2-NE 3.63Å; E527-R530 PolarHBondContact OE2-NE 2.97Å; E527-R530 IonicContact OE2-NH2 3.95Å; E527-R530 PolarHBondContact OE2-NH2 3.03Å; E527-V531 HydrophobicContact CG-CG2 4.3Å; E527-V531 WeakPolarHBondContact O-CB 3.33Å; E527-V531 WeakPolarHBondContact O-CG2 3.38Å; E527-V531 PolarHBondContact O-N 3.26Å; E527-V531 WeakPolarHBondContact OE1-CG2 3.11Å
528	V	97.3	Very high	94.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-38.1	172.7	165.8	0	0	0	0	111.9	V497 F501 V516 V524 A526 G532 T540	V497-V528 HydrophobicContact CG1-CB 4.43Å; V497-V528 HydrophobicContact CG1-CG2 3.83Å; V497-V528 HydrophobicContact CG2-CG2 3.93Å; F501-V528 HydrophobicContact CE2-CG1 4.27Å; F501-V528 HydrophobicContact CZ-CG1 4.05Å; F501-V528 HydrophobicContact CZ-CG2 4.37Å; V516-V528 HydrophobicContact CG1-CG2 4.04Å; V516-V528 HydrophobicContact CG2-CG1 4.01Å; V524-V528 HydrophobicContact CG1-CG2 3.95Å; V524-V528 WeakPolarHBondContact O-CB 3.45Å; V524-V528 WeakPolarHBondContact O-CG2 3.41Å; V524-V528 PolarHBondContact O-N 3Å; A526-V528 PolarHBondContact O-N 3.42Å; V528-G532 WeakPolarHBondContact O-CA 3.35Å; V528-G532 PolarHBondContact O-N 3.47Å; V528-T540 HydrophobicContact CG1-CG2 4.18Å
529	K	97.1	Very high	94.8	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-78.5	-34.1	178.3	-65	-48.9	179.1	-173.9	0	113.1	Y525 A526 E527 D533 T540 H812	Y525-K529 HydrophobicContact CE1-CG 4.11Å; Y525-K529 HydrophobicContact CE2-CG 4.42Å; Y525-K529 WeakPolarHBondContact O-CG 3.44Å; Y525-K529 PolarHBondContact O-N 2.81Å; A526-K529 CarbonylContact O-C 3.58Å; A526-K529 PolarHBondContact O-N 3.47Å; A526-K529 VanDerWaalsContact O-N 3.09Å; E527-K529 PolarHBondContact O-N 2.98Å; K529-D533 WeakPolarHBondContact O-CB 3.34Å; K529-D533 PolarHBondContact O-N 3.32Å; K529-T540 PolarHBondContact NZ-O 3.44Å; K529-T540 PolarHBondContact NZ-OG1 3.29Å; K529-H812 PolarHBondContact O-NE2 3.38Å
530	R	95.1	Very high	95	Very high	55 Å²	55	31 Å²	31	21%	0.208	17%	0.17	C	C	.	.	I	π-helix	trans	-62.4	-58.7	171.1	-171.4	-168.8	69	81.8	-0.1	109.7	E498 A526 E527 G532 T534 L535 D815	E498-R530 IonicContact OE2-CZ 3.98Å; E498-R530 IonicContact OE2-NH1 3.83Å; E498-R530 IonicContact OE2-NH2 2.9Å; E498-R530 PolarHBondContact OE2-NH2 3.44Å; A526-R530 PolarHBondContact O-N 3.05Å; E527-R530 PolarHBondContact O-N 3.47Å; E527-R530 VanDerWaalsContact O-N 3.17Å; E527-R530 IonicContact OE1-CZ 3.17Å; E527-R530 IonicContact OE1-NE 2.8Å; E527-R530 IonicContact OE1-NH2 3.19Å; E527-R530 PolarHBondContact OE1-NH2 2.89Å; E527-R530 IonicContact OE2-CZ 3.25Å; E527-R530 IonicContact OE2-NE 3.63Å; E527-R530 PolarHBondContact OE2-NE 2.97Å; E527-R530 IonicContact OE2-NH2 3.95Å; E527-R530 PolarHBondContact OE2-NH2 3.03Å; R530-G532 PolarHBondContact O-N 3.28Å; R530-T534 PolarHBondContact O-N 2.59Å; R530-T534 PolarHBondContact O-OG1 3.26Å; R530-L535 PolarHBondContact O-N 3.19Å; R530-D815 VanDerWaalsContact CD-OD2 3.29Å; R530-D815 WeakPolarHBondContact CD-OD2 3.07Å; R530-D815 IonicContact NE-OD2 3.37Å
531	V	96.4	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-60.1	-46.4	-177.9	177.7	0	0	0	0	111.5	V497 E498 F501 E527 L535 L536	V497-V531 HydrophobicContact CG1-CB 4.12Å; V497-V531 HydrophobicContact CG1-CG1 4.48Å; V497-V531 HydrophobicContact CG1-CG2 4.03Å; E498-V531 HydrophobicContact CB-CG1 4.39Å; E498-V531 HydrophobicContact CB-CG2 3.83Å; E498-V531 HydrophobicContact CG-CG1 4.49Å; E498-V531 HydrophobicContact CG-CG2 4.37Å; F501-V531 HydrophobicContact CB-CG1 3.82Å; F501-V531 HydrophobicContact CD2-CB 4.29Å; F501-V531 HydrophobicContact CD2-CG1 3.66Å; F501-V531 HydrophobicContact CG-CG1 4.07Å; E527-V531 HydrophobicContact CG-CG2 4.3Å; E527-V531 WeakPolarHBondContact O-CB 3.33Å; E527-V531 WeakPolarHBondContact O-CG2 3.38Å; E527-V531 PolarHBondContact O-N 3.26Å; E527-V531 WeakPolarHBondContact OE1-CG2 3.11Å; V531-L535 PolarHBondContact O-N 3.1Å; V531-L536 HydrophobicContact CG1-CD1 3.65Å; V531-L536 HydrophobicContact CG1-CG 4.07Å; V531-L536 WeakPolarHBondContact O-CB 3.38Å; V531-L536 PolarHBondContact O-N 3.4Å
532	G	97	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-68.7	-53	-179.3	0	0	0	0	0	113.4	V528 R530 G537 M538	V528-G532 WeakPolarHBondContact O-CA 3.35Å; V528-G532 PolarHBondContact O-N 3.47Å; R530-G532 PolarHBondContact O-N 3.28Å; G532-G537 CarbonylContact O-C 3.44Å; G532-G537 VanDerWaalsContact O-CA 3.23Å; G532-G537 WeakPolarHBondContact O-CA 3.22Å; G532-G537 PolarHBondContact O-N 3.35Å; G532-M538 PolarHBondContact O-N 2.73Å
533	D	97.1	Very high	96.3	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	12%	0.123	C	C	.	.	I	π-helix	trans	-83.4	-36.4	-169.3	-51.8	-26.3	0	0	0	112.3	K529 R808 H812 I847 H848 T851 Y856	K529-D533 WeakPolarHBondContact O-CB 3.34Å; K529-D533 PolarHBondContact O-N 3.32Å; D533-R808 IonicContact OD1-NH1 3.82Å; D533-R808 WeakPolarHBondContact OD2-CD 3.46Å; D533-R808 IonicContact OD2-CZ 2.93Å; D533-R808 IonicContact OD2-NE 3.53Å; D533-R808 IonicContact OD2-NH1 2.71Å; D533-R808 PolarHBondContact OD2-NH1 3.39Å; D533-H812 IonicContact OD2-CE1 3.92Å; D533-H812 IonicContact OD2-NE2 3.18Å; D533-H812 PolarHBondContact OD2-NE2 3.48Å; D533-H812 VanDerWaalsContact OD2-NE2 3.16Å; D533-I847 HydrophobicContact CB-CD1 4.43Å; D533-H848 WeakPolarHBondContact O-CB 3.5Å; D533-H848 PolarHBondContact O-N 2.53Å; D533-T851 HydrophobicContact CB-CG2 4.4Å; D533-T851 PolarHBondContact O-OG1 2.9Å; D533-Y856 HydrophobicContact CB-CD2 3.91Å; D533-Y856 HydrophobicContact CB-CE2 4.37Å; D533-Y856 WeakPolarHBondContact OD2-CD2 3.48Å
534	T	94.8	Very high	96.6	Very high	28 Å²	28	21 Å²	21	17%	0.172	11%	0.112	C	C	.	.	I	π-helix	trans	-106.2	-38.8	-171.2	75.4	0	0	0	0	114	R530 Q846 I847 H848	R530-T534 PolarHBondContact O-N 2.59Å; R530-T534 PolarHBondContact O-OG1 3.26Å; T534-Q846 WeakPolarHBondContact CB-O 3.36Å; T534-Q846 WeakPolarHBondContact CG2-O 3.36Å; T534-I847 HydrophobicContact CG2-CD1 4.15Å; T534-H848 WeakPolarHBondContact O-CB 3.2Å
535	L	94.9	Very high	96.7	Very high	62 Å²	62	21.7 Å²	21.7	33%	0.325	12%	0.116	S	C	.	.	I	π-helix	trans	-89.2	-51.7	-173.4	-173.2	65.1	0	0	0	113.5	E498 R530 V531 H848	E498-L535 VanDerWaalsContact CD-CD2 3.44Å; E498-L535 HydrophobicContact CG-CD2 3.88Å; E498-L535 WeakPolarHBondContact OE2-CD2 3.18Å; R530-L535 PolarHBondContact O-N 3.19Å; V531-L535 PolarHBondContact O-N 3.1Å; L535-H848 PolarHBondContact O-CD2 3.27Å; L535-H848 VanDerWaalsContact O-CD2 3.23Å
536	L	96.3	Very high	96.7	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.089	13%	0.131	C	C	.	.	I	π-helix	trans	-110.7	-16.1	-169.3	-61.3	-178.5	0	0	0	114.1	F501 R502 K505 V531 M538	F501-L536 HydrophobicContact CB-CD1 3.58Å; R502-L536 HydrophobicContact CB-CD1 4.44Å; K505-L536 HydrophobicContact CD-CB 4.29Å; K505-L536 PolarHBondContact NZ-O 3.26Å; V531-L536 HydrophobicContact CG1-CD1 3.65Å; V531-L536 HydrophobicContact CG1-CG 4.07Å; V531-L536 WeakPolarHBondContact O-CB 3.38Å; V531-L536 PolarHBondContact O-N 3.4Å; L536-M538 HydrophobicContact CB-CG 3.95Å; L536-M538 HydrophobicContact CB-SD 3.98Å; L536-M538 HydrophobicContact CD1-SD 4.09Å
537	G	96.6	Very high	96.7	Very high	18 Å²	18	27.2 Å²	27.2	19%	0.186	14%	0.143	C	C	.	.			trans	68.1	45.2	178.9	0	0	0	0	0	114.8	G532 H848 T851	G532-G537 CarbonylContact O-C 3.44Å; G532-G537 VanDerWaalsContact O-CA 3.23Å; G532-G537 WeakPolarHBondContact O-CA 3.22Å; G532-G537 PolarHBondContact O-N 3.35Å; G537-H848 WeakPolarHBondContact CA-ND1 3.4Å; G537-T851 VanDerWaalsContact CA-OG1 3.23Å; G537-T851 WeakPolarHBondContact CA-OG1 3.5Å
538	M	97.4	Very high	96.8	Very high	19 Å²	19	26.6 Å²	26.6	9%	0.094	14%	0.14	C	C	.	.			trans	-115	134.1	-174.9	-58.7	178.3	81.1	0	0	111.3	F501 L504 K505 L511 I514 G532 L536 T540	F501-M538 HydrophobicContact CB-SD 4.27Å; L504-M538 HydrophobicContact CB-CE 4.33Å; K505-M538 HydrophobicContact CB-CE 3.87Å; K505-M538 HydrophobicContact CB-SD 3.83Å; K505-M538 HydrophobicContact CD-CG 4.41Å; K505-M538 HydrophobicContact CD-SD 4.3Å; K505-M538 HydrophobicContact CG-CE 4.47Å; K505-M538 HydrophobicContact CG-SD 4.34Å; L511-M538 HydrophobicContact CD2-CE 3.47Å; L511-M538 VanDerWaalsContact CD2-CE 3.47Å; L511-M538 HydrophobicContact CG-CE 4.37Å; I514-M538 HydrophobicContact CD1-CE 3.6Å; I514-M538 HydrophobicContact CD1-SD 4.18Å; I514-M538 HydrophobicContact CG1-CE 4.36Å; G532-M538 PolarHBondContact O-N 2.73Å; L536-M538 HydrophobicContact CB-CG 3.95Å; L536-M538 HydrophobicContact CB-SD 3.98Å; L536-M538 HydrophobicContact CD1-SD 4.09Å; M538-T540 PolarHBondContact O-N 3.07Å
539	A	98	Very high	96.7	Very high	30 Å²	30	30.3 Å²	30.3	25%	0.248	16%	0.163	C	C	.	.			trans	-70.6	123.7	177.9	0	0	0	0	0	111	Q512 L513 I514 L567	Q512-A539 WeakPolarHBondContact O-CB 3.42Å; L513-A539 HydrophobicContact CD1-CB 4.41Å; I514-A539 PolarHBondContact N-O 3.11Å; A539-L567 HydrophobicContact CB-CD2 3.91Å
540	T	98.4	Very high	96.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	-178.2	56.3	0	0	0	0	112.4	F501 I514 V528 K529 M538 K566	F501-T540 HydrophobicContact CE2-CG2 3.51Å; F501-T540 HydrophobicContact CZ-CG2 3.9Å; I514-T540 HydrophobicContact CB-CG2 4.4Å; I514-T540 WeakPolarHBondContact O-CA 3.44Å; V528-T540 HydrophobicContact CG1-CG2 4.18Å; K529-T540 PolarHBondContact NZ-O 3.44Å; K529-T540 PolarHBondContact NZ-OG1 3.29Å; M538-T540 PolarHBondContact O-N 3.07Å; T540-K566 PolarHBondContact O-NZ 3.38Å
541	Q	98.4	Very high	96.5	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	105.3	174.5	-178.4	52.5	55.8	0	0	111.3	L513 I514 I515 V516 L559 I563	L513-Q541 HydrophobicContact CD1-CB 4.05Å; I514-Q541 PolarHBondContact O-N 3.47Å; I515-Q541 WeakPolarHBondContact CA-O 3.27Å; V516-Q541 PolarHBondContact N-O 3.37Å; Q541-L559 HydrophobicContact CG-CD1 3.5Å; Q541-L559 HydrophobicContact CG-CG 4.28Å; Q541-I563 HydrophobicContact CB-CG1 4.18Å; Q541-I563 HydrophobicContact CG-CD1 4.24Å; Q541-I563 HydrophobicContact CG-CG1 3.83Å
542	C	98.3	Very high	96.5	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.5	178.5	-49.8	0	0	0	0	111.6	V516 L518 Y525	V516-C542 CarbonylContact O-C 3.3Å; V516-C542 WeakPolarHBondContact O-CA 3.38Å; L518-C542 HydrophobicContact CD1-CB 3.84Å; Y525-C542 HydrophobicContact CD2-CB 4.16Å; Y525-C542 HydrophobicContact CE2-CB 4.17Å
543	V	98	Very high	96.4	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.7	176.2	-171.3	0	0	0	0	108.8	F466 I515 V516 I517 L518 N547 V548 L559	F466-V543 HydrophobicContact CZ-CG2 4.44Å; I515-V543 HydrophobicContact CG2-CG2 4.28Å; V516-V543 PolarHBondContact O-N 3.3Å; I517-V543 WeakPolarHBondContact CA-O 3.45Å; L518-V543 PolarHBondContact N-O 3.13Å; V543-N547 HydrophobicContact CG1-CB 4.06Å; V543-V548 HydrophobicContact CB-CG2 4.22Å; V543-V548 HydrophobicContact CG1-CG2 3.71Å; V543-L559 HydrophobicContact CG2-CD1 3.93Å; V543-L559 HydrophobicContact CG2-CD2 3.76Å
544	Q	96.5	Very high	96.2	Very high	76 Å²	76	48.8 Å²	48.8	36%	0.355	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.3	174.3	-70.1	-174.4	-33.2	0	0	110.4	K546 N547 V548	Q544-K546 HydrophobicContact CB-CG 4.12Å; Q544-K546 PolarHBondContact O-N 2.82Å; Q544-K546 VanDerWaalsContact O-N 3.12Å; Q544-N547 WeakPolarHBondContact O-CB 3.36Å; Q544-N547 PolarHBondContact O-N 2.86Å; Q544-V548 PolarHBondContact O-N 2.87Å
545	V	96.6	Very high	96.2	Very high	19 Å²	19	50 Å²	50	12%	0.115	27%	0.271	C	S	.	.	H	α-helix	trans	-52.9	-38	-177.8	67.1	0	0	0	0	112.8	A453 C458 I517 L518 N547 V548 V549	A453-V545 HydrophobicContact CB-CB 4.02Å; A453-V545 HydrophobicContact CB-CG2 3.79Å; C458-V545 HydrophobicContact CB-CG2 3.76Å; I517-V545 HydrophobicContact CG2-CB 4.24Å; I517-V545 HydrophobicContact CG2-CG2 4.5Å; L518-V545 PolarHBondContact O-N 2.8Å; V545-N547 PolarHBondContact O-N 3.25Å; V545-N547 VanDerWaalsContact O-N 3.17Å; V545-V548 WeakPolarHBondContact O-CA 3.17Å; V545-V548 WeakPolarHBondContact O-CB 3.26Å; V545-V548 PolarHBondContact O-N 2.85Å; V545-V549 HydrophobicContact CG2-CG2 4.05Å; V545-V549 WeakPolarHBondContact O-CG2 3.34Å; V545-V549 PolarHBondContact O-N 2.91Å
546	K	95.4	Very high	96.3	Very high	132 Å²	132	47.1 Å²	47.1	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-58	-31.6	176.5	63.8	171.2	178.9	-178.8	0	114	Q544 K550	Q544-K546 HydrophobicContact CB-CG 4.12Å; Q544-K546 PolarHBondContact O-N 2.82Å; Q544-K546 VanDerWaalsContact O-N 3.12Å; K546-K550 PolarHBondContact O-N 3.44Å
547	N	96.1	Very high	96.3	Very high	53 Å²	53	47.4 Å²	47.4	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-86.6	-11.1	179.1	-62.1	-18.5	0	0	0	112.4	V543 Q544 V545 T555	V543-N547 HydrophobicContact CG1-CB 4.06Å; Q544-N547 WeakPolarHBondContact O-CB 3.36Å; Q544-N547 PolarHBondContact O-N 2.86Å; V545-N547 PolarHBondContact O-N 3.25Å; V545-N547 VanDerWaalsContact O-N 3.17Å; N547-T555 HydrophobicContact CB-CG2 4.3Å
548	V	96.3	Very high	96.3	Very high	3 Å²	3	49 Å²	49	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-89	-44.2	171.7	-177.5	0	0	0	0	109.4	I462 L463 F466 I517 V543 Q544 V545	I462-V548 HydrophobicContact CG2-CG1 4.17Å; L463-V548 HydrophobicContact CD2-CG1 4.24Å; F466-V548 HydrophobicContact CB-CG1 3.69Å; F466-V548 HydrophobicContact CD1-CG1 4.2Å; F466-V548 HydrophobicContact CD2-CB 4.29Å; F466-V548 HydrophobicContact CD2-CG1 4.04Å; F466-V548 HydrophobicContact CD2-CG2 4.29Å; F466-V548 HydrophobicContact CE2-CG2 4.32Å; F466-V548 HydrophobicContact CG-CB 4.45Å; F466-V548 HydrophobicContact CG-CG1 3.7Å; I517-V548 HydrophobicContact CD1-CG1 4.13Å; I517-V548 HydrophobicContact CD1-CG2 4.13Å; I517-V548 HydrophobicContact CG1-CG2 4.06Å; I517-V548 HydrophobicContact CG2-CG2 3.95Å; V543-V548 HydrophobicContact CB-CG2 4.22Å; V543-V548 HydrophobicContact CG1-CG2 3.71Å; Q544-V548 PolarHBondContact O-N 2.87Å; V545-V548 WeakPolarHBondContact O-CA 3.17Å; V545-V548 WeakPolarHBondContact O-CB 3.26Å; V545-V548 PolarHBondContact O-N 2.85Å
549	V	95.3	Very high	96.3	Very high	78 Å²	78	48.8 Å²	48.8	47%	0.473	26%	0.263	S	S	.	.	H	α-helix	trans	-64.8	-46.3	175.8	175	0	0	0	0	111.1	I462 V545	I462-V549 HydrophobicContact CD1-CG2 4.33Å; I462-V549 HydrophobicContact CG2-CG2 4.18Å; V545-V549 HydrophobicContact CG2-CG2 4.05Å; V545-V549 WeakPolarHBondContact O-CG2 3.34Å; V545-V549 PolarHBondContact O-N 2.91Å
550	K	94.5	Very high	96.3	Very high	175 Å²	175	47.4 Å²	47.4	76%	0.761	25%	0.251	S	S	*	.	S	Bend	trans	-118.8	89.8	176.8	-168.8	173.2	-176.7	172.9	0	109.7	K546	K546-K550 PolarHBondContact O-N 3.44Å
551	T	94.4	Very high	96.3	Very high	32 Å²	32	47.4 Å²	47.4	20%	0.196	25%	0.251	C	S	.	.			trans	-74.6	149.9	175.6	48.1	0	0	0	0	111.5	F466 Q469 L556	F466-T551 HydrophobicContact CB-CG2 4.45Å; F466-T551 HydrophobicContact CD2-CG2 3.73Å; Q469-T551 PolarHBondContact OE1-OG1 3.44Å; T551-L556 HydrophobicContact CG2-CD1 4.36Å; T551-L556 HydrophobicContact CG2-CD2 4.34Å
552	S	95.6	Very high	96.3	Very high	42 Å²	42	48.5 Å²	48.5	29%	0.294	26%	0.256	S	S	.	.			trans	-136.9	144.2	166.6	75.1	0	0	0	0	109.7	Q554 T555 L556	S552-Q554 PolarHBondContact O-N 3.41Å; S552-T555 PolarHBondContact O-N 2.97Å; S552-T555 VanDerWaalsContact OG-CB 3.32Å; S552-T555 WeakPolarHBondContact OG-CB 3.4Å; S552-T555 PolarHBondContact OG-N 3.34Å; S552-T555 PolarHBondContact OG-OG1 3.1Å; S552-L556 WeakPolarHBondContact O-CG 3.09Å; S552-L556 PolarHBondContact O-N 3.18Å
553	P	94.8	Very high	96.3	Very high	93 Å²	93	47.6 Å²	47.6	60%	0.604	25%	0.249	S	C	*	.	H	α-helix	trans	-54	-39.2	179.3	-28.6	35.5	0	0	0	112.9	I473 L556 S557	I473-P553 HydrophobicContact CD1-CB 4.18Å; P553-L556 PolarHBondContact O-N 3.29Å; P553-S557 VanDerWaalsContact O-CB 3.24Å; P553-S557 WeakPolarHBondContact O-CB 3.06Å; P553-S557 PolarHBondContact O-N 3Å
554	Q	92.6	Very high	96.3	Very high	107 Å²	107	47 Å²	47	50%	0.5	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-43.3	177.3	-176.7	61.4	57.6	0	0	112.7	S552 N558	S552-Q554 PolarHBondContact O-N 3.41Å; Q554-N558 PolarHBondContact NE2-ND2 3.43Å; Q554-N558 PolarHBondContact NE2-OD1 3.02Å; Q554-N558 WeakPolarHBondContact O-CB 3.17Å; Q554-N558 VanDerWaalsContact O-CG 3.31Å; Q554-N558 PolarHBondContact O-N 2.72Å; Q554-N558 PolarHBondContact O-ND2 3.41Å
555	T	94.8	Very high	96.3	Very high	54 Å²	54	43.7 Å²	43.7	33%	0.331	23%	0.231	S	C	.	.	H	α-helix	trans	-67.2	-42	178.5	-65.5	0	0	0	0	111	N547 S552 N558 L559	N547-T555 HydrophobicContact CB-CG2 4.3Å; S552-T555 PolarHBondContact O-N 2.97Å; S552-T555 VanDerWaalsContact OG-CB 3.32Å; S552-T555 WeakPolarHBondContact OG-CB 3.4Å; S552-T555 PolarHBondContact OG-N 3.34Å; S552-T555 PolarHBondContact OG-OG1 3.1Å; T555-N558 PolarHBondContact O-N 2.98Å; T555-L559 WeakPolarHBondContact O-CB 3.46Å; T555-L559 PolarHBondContact O-N 3.05Å
556	L	97	Very high	96.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-40.6	177.4	-63.6	178.3	0	0	0	111.8	F466 Q469 L470 I473 T551 S552 P553 N558 L559 C560	F466-L556 HydrophobicContact CD2-CD2 4.12Å; F466-L556 HydrophobicContact CE2-CD2 3.64Å; Q469-L556 HydrophobicContact CB-CD1 3.72Å; L470-L556 HydrophobicContact CB-CD2 4.48Å; L470-L556 HydrophobicContact CD1-CD2 4.28Å; I473-L556 HydrophobicContact CB-CB 4.36Å; I473-L556 HydrophobicContact CG1-CB 4.3Å; I473-L556 HydrophobicContact CG1-CD1 4.34Å; I473-L556 HydrophobicContact CG2-CB 4.22Å; T551-L556 HydrophobicContact CG2-CD1 4.36Å; T551-L556 HydrophobicContact CG2-CD2 4.34Å; S552-L556 WeakPolarHBondContact O-CG 3.09Å; S552-L556 PolarHBondContact O-N 3.18Å; P553-L556 PolarHBondContact O-N 3.29Å; L556-N558 PolarHBondContact O-N 2.98Å; L556-L559 WeakPolarHBondContact O-CA 3.18Å; L556-L559 VanDerWaalsContact O-CB 3.28Å; L556-L559 WeakPolarHBondContact O-CB 3.28Å; L556-L559 PolarHBondContact O-N 3.12Å; L556-C560 PolarHBondContact O-N 3.36Å; L556-C560 PolarHBondContact O-SG 3.44Å; L556-C560 VanDerWaalsContact O-SG 3.36Å
557	S	96.8	Very high	96.5	Very high	23 Å²	23	38.8 Å²	38.8	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-46.5	174.1	179	0	0	0	0	111.3	P553 L559 C560 L561	P553-S557 VanDerWaalsContact O-CB 3.24Å; P553-S557 WeakPolarHBondContact O-CB 3.06Å; P553-S557 PolarHBondContact O-N 3Å; S557-L559 PolarHBondContact O-N 3.42Å; S557-C560 WeakPolarHBondContact O-CB 3.39Å; S557-C560 PolarHBondContact O-N 3.36Å; S557-C560 VanDerWaalsContact O-N 3.15Å; S557-L561 PolarHBondContact O-N 2.92Å
558	N	96.4	Very high	96.4	Very high	51 Å²	51	37.4 Å²	37.4	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-27.6	173.9	-73.1	-18.6	0	0	0	113.1	Q554 T555 L556 L561	Q554-N558 PolarHBondContact NE2-ND2 3.43Å; Q554-N558 PolarHBondContact NE2-OD1 3.02Å; Q554-N558 WeakPolarHBondContact O-CB 3.17Å; Q554-N558 VanDerWaalsContact O-CG 3.31Å; Q554-N558 PolarHBondContact O-N 2.72Å; Q554-N558 PolarHBondContact O-ND2 3.41Å; T555-N558 PolarHBondContact O-N 2.98Å; L556-N558 PolarHBondContact O-N 2.98Å; N558-L561 WeakPolarHBondContact O-CB 3.36Å
559	L	97.7	Very high	96.5	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-45	173	-170	64.4	0	0	0	110.8	F466 L470 Q541 V543 T555 L556 S557 L561 K562 I563	F466-L559 HydrophobicContact CE2-CD2 4.49Å; F466-L559 HydrophobicContact CZ-CD2 4.11Å; L470-L559 HydrophobicContact CD1-CD2 4.14Å; L470-L559 HydrophobicContact CD2-CD2 4.42Å; Q541-L559 HydrophobicContact CG-CD1 3.5Å; Q541-L559 HydrophobicContact CG-CG 4.28Å; V543-L559 HydrophobicContact CG2-CD1 3.93Å; V543-L559 HydrophobicContact CG2-CD2 3.76Å; T555-L559 WeakPolarHBondContact O-CB 3.46Å; T555-L559 PolarHBondContact O-N 3.05Å; L556-L559 WeakPolarHBondContact O-CA 3.18Å; L556-L559 VanDerWaalsContact O-CB 3.28Å; L556-L559 WeakPolarHBondContact O-CB 3.28Å; L556-L559 PolarHBondContact O-N 3.12Å; S557-L559 PolarHBondContact O-N 3.42Å; L559-L561 VanDerWaalsContact C-N 3.3Å; L559-L561 PolarHBondContact O-N 3.17Å; L559-K562 PolarHBondContact O-N 2.93Å; L559-K562 VanDerWaalsContact O-N 3.1Å; L559-I563 HydrophobicContact CD2-CD1 4.48Å; L559-I563 HydrophobicContact CG-CD1 3.98Å; L559-I563 WeakPolarHBondContact O-CG1 3.45Å; L559-I563 PolarHBondContact O-N 2.91Å
560	C	98.2	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-39.4	175.2	-66.7	0	0	0	0	112.2	F438 M479 L556 S557 K562 I563 N564	F438-C560 HydrophobicContact CE2-CB 4.38Å; F438-C560 HydrophobicContact CZ-CB 4.23Å; M479-C560 HydrophobicContact CE-CB 3.92Å; L556-C560 PolarHBondContact O-N 3.36Å; L556-C560 PolarHBondContact O-SG 3.44Å; L556-C560 VanDerWaalsContact O-SG 3.36Å; S557-C560 WeakPolarHBondContact O-CB 3.39Å; S557-C560 PolarHBondContact O-N 3.36Å; S557-C560 VanDerWaalsContact O-N 3.15Å; C560-K562 PolarHBondContact O-N 3.04Å; C560-I563 PolarHBondContact O-N 2.93Å; C560-N564 WeakPolarHBondContact O-CB 3.49Å; C560-N564 PolarHBondContact O-N 3.09Å
561	L	98	Very high	96.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-50.8	-44	173.5	-69.6	-179.3	0	0	0	112.4	M433 F438 S557 N558 L559 V565 N571 V787	M433-L561 HydrophobicContact SD-CD2 3.56Å; M433-L561 VanDerWaalsContact SD-CD2 3.56Å; F438-L561 HydrophobicContact CE1-CD2 3.67Å; F438-L561 HydrophobicContact CZ-CD2 4.15Å; S557-L561 PolarHBondContact O-N 2.92Å; N558-L561 WeakPolarHBondContact O-CB 3.36Å; L559-L561 VanDerWaalsContact C-N 3.3Å; L559-L561 PolarHBondContact O-N 3.17Å; L561-V565 VanDerWaalsContact O-CG2 3.29Å; L561-V565 WeakPolarHBondContact O-CG2 3.31Å; L561-N571 HydrophobicContact CD2-CB 4.46Å; L561-N571 PolarHBondContact O-ND2 3.1Å; L561-V787 WeakPolarHBondContact CB-O 3.32Å
562	K	98.1	Very high	96.8	Very high	31 Å²	31	25.3 Å²	25.3	14%	0.135	15%	0.148	C	C	.	.	H	α-helix	trans	-77	-38.9	-178.2	-64.8	166	56.9	71.8	0	111.8	L559 C560 K566 R788 A858	L559-K562 PolarHBondContact O-N 2.93Å; L559-K562 VanDerWaalsContact O-N 3.1Å; C560-K562 PolarHBondContact O-N 3.04Å; K562-K566 WeakPolarHBondContact O-CG 3.03Å; K562-K566 PolarHBondContact O-N 3.31Å; K562-K566 VanDerWaalsContact O-N 3.14Å; K562-R788 HydrophobicContact CG-CG 4.33Å; K562-A858 PolarHBondContact NZ-O 3.08Å; K562-A858 PolarHBondContact NZ-OXT 2.92Å
563	I	98.5	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-50.6	-180	-67.6	169.2	0	0	0	109.9	I444 M479 L513 Q541 L559 C560 V565 K566 L567	I444-I563 HydrophobicContact CD1-CG2 3.58Å; M479-I563 HydrophobicContact CE-CB 4.07Å; M479-I563 HydrophobicContact CE-CG2 3.87Å; M479-I563 HydrophobicContact SD-CB 4.02Å; M479-I563 HydrophobicContact SD-CG2 3.71Å; L513-I563 HydrophobicContact CD2-CD1 4.2Å; L513-I563 HydrophobicContact CD2-CG1 4.22Å; L513-I563 HydrophobicContact CD2-CG2 3.68Å; Q541-I563 HydrophobicContact CB-CG1 4.18Å; Q541-I563 HydrophobicContact CG-CD1 4.24Å; Q541-I563 HydrophobicContact CG-CG1 3.83Å; L559-I563 HydrophobicContact CD2-CD1 4.48Å; L559-I563 HydrophobicContact CG-CD1 3.98Å; L559-I563 WeakPolarHBondContact O-CG1 3.45Å; L559-I563 PolarHBondContact O-N 2.91Å; C560-I563 PolarHBondContact O-N 2.93Å; I563-V565 VanDerWaalsContact C-N 3.29Å; I563-V565 PolarHBondContact O-N 3.01Å; I563-K566 PolarHBondContact O-N 3.26Å; I563-K566 VanDerWaalsContact O-N 3.15Å; I563-L567 HydrophobicContact CG2-CD1 3.93Å; I563-L567 HydrophobicContact CG2-CG 4.48Å; I563-L567 WeakPolarHBondContact O-CG 3.18Å; I563-L567 PolarHBondContact O-N 3.09Å; I563-L567 VanDerWaalsContact O-N 3.14Å
564	N	98.4	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-54.4	-47.5	-177.3	-169.8	49.7	0	0	0	111.5	F438 T440 G441 V442 M479 C560 L567 G568 G569 N571	F438-N564 HydrophobicContact CD2-CB 4.02Å; F438-N564 HydrophobicContact CE2-CB 3.81Å; F438-N564 HydrophobicContact CZ-CB 4.28Å; T440-N564 PolarHBondContact O-ND2 2.96Å; G441-N564 WeakPolarHBondContact CA-OD1 3.31Å; V442-N564 PolarHBondContact N-OD1 2.99Å; M479-N564 HydrophobicContact CG-CB 4.42Å; M479-N564 VanDerWaalsContact SD-CA 3.59Å; M479-N564 HydrophobicContact SD-CB 3.63Å; M479-N564 PolarHBondContact SD-N 3.38Å; C560-N564 WeakPolarHBondContact O-CB 3.49Å; C560-N564 PolarHBondContact O-N 3.09Å; N564-L567 CarbonylContact O-C 3.6Å; N564-L567 PolarHBondContact O-N 3.48Å; N564-G568 PolarHBondContact O-N 3.16Å; N564-G569 WeakPolarHBondContact O-CA 3.42Å; N564-G569 PolarHBondContact O-N 3.25Å; N564-N571 WeakPolarHBondContact CB-OD1 3.29Å; N564-N571 PolarHBondContact ND2-OD1 3.37Å
565	V	97.6	Very high	97.1	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.03	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-40.4	-179.4	170.6	0	0	0	0	112.9	L561 I563 L567 G568 N571 V787 M855 A858	L561-V565 VanDerWaalsContact O-CG2 3.29Å; L561-V565 WeakPolarHBondContact O-CG2 3.31Å; I563-V565 VanDerWaalsContact C-N 3.29Å; I563-V565 PolarHBondContact O-N 3.01Å; V565-L567 PolarHBondContact O-N 3.41Å; V565-G568 PolarHBondContact O-N 3.45Å; V565-N571 WeakPolarHBondContact CG2-ND2 3.49Å; V565-V787 HydrophobicContact CB-CG2 4.36Å; V565-V787 HydrophobicContact CG1-CG2 3.98Å; V565-V787 HydrophobicContact CG2-CB 3.69Å; V565-V787 HydrophobicContact CG2-CG1 3.98Å; V565-V787 HydrophobicContact CG2-CG2 3.81Å; V565-M855 HydrophobicContact CG1-CB 3.56Å; V565-M855 HydrophobicContact CG1-CE 3.94Å; V565-M855 HydrophobicContact CG1-CG 4.1Å; V565-M855 HydrophobicContact CG1-SD 3.5Å; V565-M855 VanDerWaalsContact CG1-SD 3.5Å; V565-A858 HydrophobicContact CG1-CB 4.02Å
566	K	97.8	Very high	96.9	Very high	13 Å²	13	15.1 Å²	15.1	6%	0.057	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-30.1	176.6	-79.2	175.2	177.1	175.2	0	112.7	T540 K562 I563 G568 A858	T540-K566 PolarHBondContact O-NZ 3.38Å; K562-K566 WeakPolarHBondContact O-CG 3.03Å; K562-K566 PolarHBondContact O-N 3.31Å; K562-K566 VanDerWaalsContact O-N 3.14Å; I563-K566 PolarHBondContact O-N 3.26Å; I563-K566 VanDerWaalsContact O-N 3.15Å; K566-G568 VanDerWaalsContact C-N 3.29Å; K566-A858 WeakPolarHBondContact CE-O 3.46Å; K566-A858 HydrophobicContact CG-CB 4.45Å; K566-A858 PolarHBondContact NZ-O 3.35Å
567	L	97.3	Very high	96.4	Very high	36 Å²	36	22.6 Å²	22.6	19%	0.188	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.7	177.1	-56.9	-179.6	0	0	0	112.8	V442 I444 Q512 L513 A539 I563 N564 V565	V442-L567 HydrophobicContact CB-CB 4.17Å; V442-L567 HydrophobicContact CG1-CB 3.92Å; V442-L567 HydrophobicContact CG1-CD1 4.27Å; V442-L567 HydrophobicContact CG2-CB 4.02Å; I444-L567 HydrophobicContact CD1-CD1 3.62Å; I444-L567 HydrophobicContact CG1-CD1 3.59Å; Q512-L567 HydrophobicContact CB-CD2 4.27Å; Q512-L567 WeakPolarHBondContact O-CD2 3.44Å; L513-L567 HydrophobicContact CB-CD2 4.46Å; A539-L567 HydrophobicContact CB-CD2 3.91Å; I563-L567 HydrophobicContact CG2-CD1 3.93Å; I563-L567 HydrophobicContact CG2-CG 4.48Å; I563-L567 WeakPolarHBondContact O-CG 3.18Å; I563-L567 PolarHBondContact O-N 3.09Å; I563-L567 VanDerWaalsContact O-N 3.14Å; N564-L567 CarbonylContact O-C 3.6Å; N564-L567 PolarHBondContact O-N 3.48Å; V565-L567 PolarHBondContact O-N 3.41Å
568	G	95.1	Very high	96	Very high	23 Å²	23	25.8 Å²	25.8	24%	0.237	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	6.1	174	0	0	0	0	0	115.5	N564 V565 K566 R620	N564-G568 PolarHBondContact O-N 3.16Å; V565-G568 PolarHBondContact O-N 3.45Å; K566-G568 VanDerWaalsContact C-N 3.29Å; G568-R620 PolarHBondContact O-NH1 3.5Å
569	G	96.7	Very high	95.6	Very high	4 Å²	4	26.4 Å²	26.4	4%	0.041	14%	0.139	C	C	.	.			trans	-72.7	166.7	174.7	0	0	0	0	0	113.8	T440 N564	T440-G569 CarbonylContact O-C 3.56Å; T440-G569 VanDerWaalsContact O-CA 3.25Å; T440-G569 WeakPolarHBondContact O-CA 3.37Å; N564-G569 WeakPolarHBondContact O-CA 3.42Å; N564-G569 PolarHBondContact O-N 3.25Å
570	I	97.9	Very high	95.1	Very high	21 Å²	21	26.6 Å²	26.6	11%	0.108	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-117.5	119.6	178.1	-60.3	178.8	0	0	0	107.8	H439 T440 I573 R620	H439-I570 HydrophobicContact CB-CB 4.38Å; H439-I570 HydrophobicContact CB-CG2 3.94Å; H439-I570 PolarHBondContact N-O 3.42Å; T440-I570 PolarHBondContact N-O 3.43Å; T440-I570 PolarHBondContact O-N 2.81Å; I570-I573 HydrophobicContact CG2-CG2 3.71Å; I570-R620 HydrophobicContact CG1-CG 4.24Å
571	N	97.3	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.			trans	-73	-52.1	-176.5	-69.8	-7.8	0	0	0	111.7	F438 H439 L561 N564 V565 V787	F438-N571 VanDerWaalsContact CA-O 3.32Å; F438-N571 WeakPolarHBondContact CA-O 3.49Å; F438-N571 HydrophobicContact CD1-CB 3.82Å; F438-N571 HydrophobicContact CE1-CB 4.03Å; H439-N571 PolarHBondContact N-O 2.66Å; L561-N571 HydrophobicContact CD2-CB 4.46Å; L561-N571 PolarHBondContact O-ND2 3.1Å; N564-N571 WeakPolarHBondContact CB-OD1 3.29Å; N564-N571 PolarHBondContact ND2-OD1 3.37Å; V565-N571 WeakPolarHBondContact CG2-ND2 3.49Å; N571-V787 PolarHBondContact ND2-O 3.41Å; N571-V787 VanDerWaalsContact ND2-O 3.11Å
572	N	96.8	Very high	94.2	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.048	16%	0.164	C	C	.	.			trans	-156.8	169.9	176.4	56.6	53.6	0	0	0	108.8	Q415 Y416 S619	Q415-N572 WeakPolarHBondContact O-CA 3.45Å; Y416-N572 HydrophobicContact CD1-CB 4.15Å; Y416-N572 HydrophobicContact CD2-CB 4.2Å; Y416-N572 HydrophobicContact CE1-CB 3.95Å; Y416-N572 HydrophobicContact CE2-CB 3.98Å; Y416-N572 HydrophobicContact CG-CB 4.29Å; Y416-N572 PolarHBondContact OH-ND2 3.4Å; Y416-N572 VanDerWaalsContact OH-ND2 3.12Å; N572-S619 PolarHBondContact O-OG 3.01Å
573	I	97.3	Very high	93.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.7	176.4	66.1	170.8	0	0	0	110	L414 Q415 I570 P576 H617	L414-I573 CarbonylContact C-O 3.55Å; L414-I573 WeakPolarHBondContact CA-O 3.42Å; Q415-I573 HydrophobicContact CB-CD1 4.43Å; Q415-I573 HydrophobicContact CB-CG1 3.87Å; Q415-I573 PolarHBondContact N-O 3.37Å; Q415-I573 PolarHBondContact O-N 2.98Å; Q415-I573 VanDerWaalsContact O-N 3.09Å; I570-I573 HydrophobicContact CG2-CG2 3.71Å; I573-P576 HydrophobicContact CD1-CG 4.16Å; I573-H617 HydrophobicContact CB-CB 4.07Å; I573-H617 VanDerWaalsContact CD1-CE1 3.45Å; I573-H617 WeakPolarHBondContact CD1-CE1 3.42Å; I573-H617 WeakPolarHBondContact CD1-ND1 3.42Å; I573-H617 HydrophobicContact CG2-CB 3.65Å
574	L	95.9	Very high	93.5	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	138.7	165.6	-64.2	170.2	0	0	0	109.2	P412 L414 P576 R579 Q781 T785	P412-L574 HydrophobicContact CB-CD2 3.8Å; P412-L574 HydrophobicContact CG-CD2 3.8Å; L414-L574 HydrophobicContact CD2-CD2 4.01Å; L574-P576 VanDerWaalsContact O-CD 3.23Å; L574-P576 WeakPolarHBondContact O-CD 3.5Å; L574-P576 VanDerWaalsContact O-N 3.1Å; L574-R579 HydrophobicContact CB-CG 4.17Å; L574-Q781 HydrophobicContact CD1-CB 3.92Å; L574-Q781 HydrophobicContact CD2-CB 4.12Å; L574-T785 HydrophobicContact CD1-CG2 3.8Å; L574-T785 HydrophobicContact CD2-CG2 4.06Å; L574-T785 HydrophobicContact CG-CG2 3.71Å
575	L	94.7	Very high	93.3	Very high	36 Å²	36	41.9 Å²	41.9	19%	0.188	22%	0.221	C	C	.	.			trans	-57.8	116.3	177.6	-172.2	67.2	0	0	0	109.6	M413 Q415 V423 N577 Q578	M413-L575 HydrophobicContact CB-CB 4.06Å; M413-L575 HydrophobicContact CB-CD2 3.93Å; M413-L575 WeakPolarHBondContact O-CB 3.49Å; M413-L575 PolarHBondContact O-N 3.07Å; M413-L575 HydrophobicContact SD-CD2 4.22Å; Q415-L575 HydrophobicContact CB-CD1 4.24Å; V423-L575 HydrophobicContact CG2-CD1 4.41Å; L575-N577 VanDerWaalsContact C-N 3.26Å; L575-N577 PolarHBondContact O-N 3.27Å; L575-N577 VanDerWaalsContact O-N 3.08Å; L575-Q578 HydrophobicContact CD2-CG 4.12Å; L575-Q578 PolarHBondContact O-N 3.42Å
576	P	91	Very high	93.2	Very high	39 Å²	39	43.5 Å²	43.5	25%	0.253	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-57.1	-34.3	-165.1	-32.4	37.9	0	0	0	115.6	Q415 I573 L574 Q578 R579	Q415-P576 VanDerWaalsContact OE1-CD 3.3Å; I573-P576 HydrophobicContact CD1-CG 4.16Å; L574-P576 VanDerWaalsContact O-CD 3.23Å; L574-P576 WeakPolarHBondContact O-CD 3.5Å; L574-P576 VanDerWaalsContact O-N 3.1Å; P576-Q578 VanDerWaalsContact C-N 3.33Å; P576-R579 PolarHBondContact O-NE 3.21Å; P576-R579 VanDerWaalsContact O-NE 3.07Å
577	N	87.5	Confident	93.2	Very high	160 Å²	160	43.3 Å²	43.3	86%	0.856	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-79.7	-10.7	-175.9	-61.6	-4.1	0	0	0	113.9	L575	L575-N577 VanDerWaalsContact C-N 3.26Å; L575-N577 PolarHBondContact O-N 3.27Å; L575-N577 VanDerWaalsContact O-N 3.08Å
578	Q	87.8	Confident	93.2	Very high	89 Å²	89	41.6 Å²	41.6	42%	0.416	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-103.4	6.2	177.5	-71.4	-176.9	-12.3	0	0	112.7	M413 L575 P576 Q781	M413-Q578 PolarHBondContact SD-NE2 3.21Å; L575-Q578 HydrophobicContact CD2-CG 4.12Å; L575-Q578 PolarHBondContact O-N 3.42Å; P576-Q578 VanDerWaalsContact C-N 3.33Å; Q578-Q781 PolarHBondContact O-NE2 2.88Å
579	R	88.1	Confident	93.4	Very high	64 Å²	64	40.5 Å²	40.5	24%	0.242	21%	0.21	C	C	.	.	S	Bend	trans	-79.4	145.6	179.3	-67.2	-178.2	-60	170.7	1.6	110.5	L574 P576 F583 A616	L574-R579 HydrophobicContact CB-CG 4.17Å; P576-R579 PolarHBondContact O-NE 3.21Å; P576-R579 VanDerWaalsContact O-NE 3.07Å; R579-F583 HydrophobicContact CB-CB 4.32Å; R579-F583 HydrophobicContact CB-CD2 3.63Å; R579-F583 HydrophobicContact CB-CE2 4.11Å; R579-F583 HydrophobicContact CB-CG 4.04Å; R579-F583 HydrophobicContact CG-CD2 4.32Å; R579-F583 HydrophobicContact CG-CE2 4.45Å; R579-A616 PolarHBondContact NH1-O 3.45Å
580	P	87.4	Confident	93.5	Very high	19 Å²	19	40.3 Å²	40.3	12%	0.123	21%	0.208	C	C	.	.			trans	-53.8	156.8	172.8	-27.3	32.7	0	0	0	114	V582 F583 E774 L778	P580-V582 HydrophobicContact CB-CG1 4.14Å; P580-V582 PolarHBondContact O-N 2.96Å; P580-V582 VanDerWaalsContact O-N 3.1Å; P580-F583 HydrophobicContact CB-CD2 4.47Å; P580-F583 HydrophobicContact CG-CE2 4.48Å; P580-F583 WeakPolarHBondContact O-CD2 3.33Å; P580-F583 PolarHBondContact O-N 3.22Å; P580-F583 VanDerWaalsContact O-N 3.13Å; P580-E774 HydrophobicContact CB-CG 3.89Å; P580-L778 HydrophobicContact CG-CB 4.21Å; P580-L778 HydrophobicContact CG-CD1 4.43Å
581	S	88.3	Confident	93.6	Very high	64 Å²	64	39.3 Å²	39.3	45%	0.448	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-54.5	-29.1	178.2	27.2	0	0	0	0	113.7	F583 Q584 E774	S581-F583 PolarHBondContact O-N 2.69Å; S581-Q584 VanDerWaalsContact O-CB 3.3Å; S581-Q584 WeakPolarHBondContact O-CB 3.44Å; S581-Q584 VanDerWaalsContact O-CG 3.27Å; S581-Q584 WeakPolarHBondContact O-CG 3.44Å; S581-Q584 PolarHBondContact O-N 2.73Å; S581-E774 PolarHBondContact OG-OE1 3.25Å
582	V	88.7	Confident	93.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.03	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-51.1	-27.8	176.5	80.3	0	0	0	0	114.1	P580 Q584 I587 R659 F770 E774 L778	P580-V582 HydrophobicContact CB-CG1 4.14Å; P580-V582 PolarHBondContact O-N 2.96Å; P580-V582 VanDerWaalsContact O-N 3.1Å; V582-Q584 VanDerWaalsContact C-N 3.28Å; V582-Q584 PolarHBondContact O-N 3.35Å; V582-I587 HydrophobicContact CB-CD1 4.34Å; V582-I587 HydrophobicContact CG1-CD1 4.08Å; V582-I587 HydrophobicContact CG2-CD1 3.37Å; V582-R659 PolarHBondContact O-NH1 2.96Å; V582-F770 HydrophobicContact CB-CE1 4.13Å; V582-F770 HydrophobicContact CB-CZ 4.29Å; V582-F770 HydrophobicContact CG2-CE1 4.05Å; V582-F770 HydrophobicContact CG2-CZ 3.71Å; V582-E774 PolarHBondContact N-OE1 3.25Å; V582-L778 HydrophobicContact CG1-CD1 4.29Å; V582-L778 HydrophobicContact CG1-CD2 4.26Å
583	F	91.4	Very high	93.6	Very high	26 Å²	26	39.3 Å²	39.3	11%	0.114	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-76.5	-6.8	179.3	-74	-84.2	0	0	0	114.7	R579 P580 S581 Q585 I587 F589 P618 L778	R579-F583 HydrophobicContact CB-CB 4.32Å; R579-F583 HydrophobicContact CB-CD2 3.63Å; R579-F583 HydrophobicContact CB-CE2 4.11Å; R579-F583 HydrophobicContact CB-CG 4.04Å; R579-F583 HydrophobicContact CG-CD2 4.32Å; R579-F583 HydrophobicContact CG-CE2 4.45Å; P580-F583 HydrophobicContact CB-CD2 4.47Å; P580-F583 HydrophobicContact CG-CE2 4.48Å; P580-F583 WeakPolarHBondContact O-CD2 3.33Å; P580-F583 PolarHBondContact O-N 3.22Å; P580-F583 VanDerWaalsContact O-N 3.13Å; S581-F583 PolarHBondContact O-N 2.69Å; F583-Q585 PolarHBondContact O-N 3.37Å; F583-I587 HydrophobicContact CD1-CG2 4.19Å; F583-I587 HydrophobicContact CE1-CG2 4.48Å; F583-F589 AromaticContact CE1-CE2 3.59Å; F583-F589 HydrophobicContact CE1-CE2 3.59Å; F583-F589 AromaticContact CE1-CZ 3.73Å; F583-F589 HydrophobicContact CE1-CZ 3.73Å; F583-F589 HydrophobicContact CE2-CZ 4.3Å; F583-F589 AromaticContact CZ-CE2 3.83Å; F583-F589 HydrophobicContact CZ-CE2 3.83Å; F583-F589 AromaticContact CZ-CZ 3.53Å; F583-F589 HydrophobicContact CZ-CZ 3.53Å; F583-P618 VanDerWaalsContact CE1-CD 3.42Å; F583-P618 HydrophobicContact CE1-CG 3.91Å; F583-P618 HydrophobicContact CZ-CG 4.2Å; F583-L778 HydrophobicContact CE2-CD1 3.57Å; F583-L778 HydrophobicContact CZ-CD1 3.9Å
584	Q	90.9	Very high	93.6	Very high	169 Å²	169	39.7 Å²	39.7	79%	0.79	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-70.2	-21.2	178.7	-68.1	175.3	2.6	0	0	112.9	S581 V582	S581-Q584 VanDerWaalsContact O-CB 3.3Å; S581-Q584 WeakPolarHBondContact O-CB 3.44Å; S581-Q584 VanDerWaalsContact O-CG 3.27Å; S581-Q584 WeakPolarHBondContact O-CG 3.44Å; S581-Q584 PolarHBondContact O-N 2.73Å; V582-Q584 VanDerWaalsContact C-N 3.28Å; V582-Q584 PolarHBondContact O-N 3.35Å
585	Q	93.4	Very high	93.4	Very high	91 Å²	91	40.5 Å²	40.5	43%	0.425	21%	0.211	S	C	.	.	S	Bend	trans	-118.2	158.1	173.6	-60.4	176.9	-20.3	0	0	110	F583 I587 T658	F583-Q585 PolarHBondContact O-N 3.37Å; Q585-I587 PolarHBondContact O-N 3.11Å; Q585-T658 HydrophobicContact CB-CG2 4.41Å; Q585-T658 VanDerWaalsContact CB-OG1 3.29Å; Q585-T658 WeakPolarHBondContact CB-OG1 3.42Å; Q585-T658 PolarHBondContact OE1-OG1 2.88Å
586	P	96.6	Very high	93.2	Very high	39 Å²	39	41.8 Å²	41.8	25%	0.253	22%	0.216	S	C	.	.			trans	-57	125.9	177.7	-24.9	34.6	0	0	0	111.4	Y655 K656 P657 T658 R659	P586-Y655 HydrophobicContact CB-CG 4.38Å; P586-Y655 HydrophobicContact CG-CD1 3.68Å; P586-Y655 HydrophobicContact CG-CG 3.84Å; P586-K656 WeakPolarHBondContact CB-O 3.26Å; P586-P657 CarbonylContact O-C 3.54Å; P586-P657 WeakPolarHBondContact O-CA 3.25Å; P586-T658 PolarHBondContact O-N 3.49Å; P586-T658 PolarHBondContact O-OG1 3.4Å; P586-R659 PolarHBondContact O-N 2.86Å
587	I	97.1	Very high	92.9	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.7	-176.1	178.9	161.9	0	0	0	109.6	V582 F583 Q585 F589 R659 I661	V582-I587 HydrophobicContact CB-CD1 4.34Å; V582-I587 HydrophobicContact CG1-CD1 4.08Å; V582-I587 HydrophobicContact CG2-CD1 3.37Å; F583-I587 HydrophobicContact CD1-CG2 4.19Å; F583-I587 HydrophobicContact CE1-CG2 4.48Å; Q585-I587 PolarHBondContact O-N 3.11Å; I587-F589 HydrophobicContact CD1-CE1 3.98Å; I587-F589 HydrophobicContact CD1-CE2 4.23Å; I587-F589 HydrophobicContact CD1-CZ 3.65Å; I587-F589 HydrophobicContact CG1-CE1 4.41Å; I587-F589 HydrophobicContact CG1-CE2 4.03Å; I587-F589 HydrophobicContact CG1-CZ 3.96Å; I587-F589 HydrophobicContact CG2-CE2 3.85Å; I587-F589 HydrophobicContact CG2-CZ 4.19Å; I587-R659 HydrophobicContact CB-CB 4.41Å; I587-R659 HydrophobicContact CD1-CB 4.18Å; I587-R659 HydrophobicContact CG1-CB 4.11Å; I587-I661 HydrophobicContact CD1-CD1 4.05Å; I587-I661 HydrophobicContact CD1-CG1 3.42Å; I587-I661 VanDerWaalsContact CD1-CG1 3.42Å; I587-I661 HydrophobicContact CG1-CG1 4.03Å
588	I	98.6	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130	171.9	-168.6	173.8	0	0	0	110.3	L590 L646 F649 P657 R659 I660 I661	I588-L590 HydrophobicContact CD1-CD2 3.82Å; I588-L590 HydrophobicContact CG1-CD2 3.93Å; I588-L646 HydrophobicContact CD1-CD2 4.34Å; I588-L646 HydrophobicContact CG2-CD2 4.25Å; I588-F649 HydrophobicContact CB-CD2 4.13Å; I588-F649 HydrophobicContact CB-CE2 4.19Å; I588-F649 HydrophobicContact CD1-CB 3.92Å; I588-F649 HydrophobicContact CD1-CD2 3.95Å; I588-F649 HydrophobicContact CD1-CG 4.13Å; I588-F649 HydrophobicContact CG1-CD2 3.95Å; I588-F649 HydrophobicContact CG1-CE2 4.39Å; I588-P657 HydrophobicContact CB-CB 4.17Å; I588-P657 HydrophobicContact CB-CG 3.93Å; I588-P657 HydrophobicContact CG2-CB 3.79Å; I588-P657 HydrophobicContact CG2-CG 3.82Å; I588-R659 PolarHBondContact N-O 3.23Å; I588-R659 VanDerWaalsContact N-O 3.09Å; I588-I660 HydrophobicContact CG2-CB 4.24Å; I588-I660 HydrophobicContact CG2-CG1 3.79Å; I588-I660 HydrophobicContact CG2-CG2 4.24Å; I588-I661 PolarHBondContact O-N 3.05Å
589	F	98.7	Very high	91.6	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.7	173.7	-62.2	-84.5	0	0	0	109.2	F583 I587 G612 S613 P618 Y621 I661 L778 L782	F583-F589 AromaticContact CE1-CE2 3.59Å; F583-F589 HydrophobicContact CE1-CE2 3.59Å; F583-F589 AromaticContact CE1-CZ 3.73Å; F583-F589 HydrophobicContact CE1-CZ 3.73Å; F583-F589 HydrophobicContact CE2-CZ 4.3Å; F583-F589 AromaticContact CZ-CE2 3.83Å; F583-F589 HydrophobicContact CZ-CE2 3.83Å; F583-F589 AromaticContact CZ-CZ 3.53Å; F583-F589 HydrophobicContact CZ-CZ 3.53Å; I587-F589 HydrophobicContact CD1-CE1 3.98Å; I587-F589 HydrophobicContact CD1-CE2 4.23Å; I587-F589 HydrophobicContact CD1-CZ 3.65Å; I587-F589 HydrophobicContact CG1-CE1 4.41Å; I587-F589 HydrophobicContact CG1-CE2 4.03Å; I587-F589 HydrophobicContact CG1-CZ 3.96Å; I587-F589 HydrophobicContact CG2-CE2 3.85Å; I587-F589 HydrophobicContact CG2-CZ 4.19Å; F589-G612 CarbonylContact O-C 3.59Å; F589-G612 WeakPolarHBondContact O-CA 3.49Å; F589-S613 PolarHBondContact N-OG 3.09Å; F589-S613 PolarHBondContact O-N 3.44Å; F589-P618 HydrophobicContact CD2-CB 3.6Å; F589-P618 HydrophobicContact CD2-CG 3.71Å; F589-P618 HydrophobicContact CE2-CB 4.03Å; F589-P618 HydrophobicContact CE2-CG 3.64Å; F589-P618 HydrophobicContact CG-CB 4.46Å; F589-Y621 HydrophobicContact CB-CE1 4.48Å; F589-I661 HydrophobicContact CD1-CB 3.84Å; F589-I661 HydrophobicContact CD1-CG1 4.16Å; F589-I661 HydrophobicContact CD1-CG2 4.22Å; F589-I661 HydrophobicContact CE1-CB 4.13Å; F589-I661 HydrophobicContact CE1-CG1 3.96Å; F589-I661 HydrophobicContact CE1-CG2 4.45Å; F589-L778 HydrophobicContact CE1-CD1 3.87Å; F589-L778 HydrophobicContact CE1-CD2 4.15Å; F589-L778 HydrophobicContact CE1-CG 4.33Å; F589-L778 HydrophobicContact CZ-CD1 3.98Å; F589-L782 HydrophobicContact CD1-CD1 3.69Å; F589-L782 HydrophobicContact CD1-CD2 4.29Å; F589-L782 HydrophobicContact CE1-CD1 3.89Å; F589-L782 HydrophobicContact CE1-CD2 4.41Å; F589-L782 HydrophobicContact CG-CD1 4.48Å; F589-L782 HydrophobicContact CG-CD2 4.42Å
590	L	98.9	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.6	177.9	-60.4	-175.1	0	0	0	110.3	I588 V611 V642 L645 I660 I661 F662 Y663	I588-L590 HydrophobicContact CD1-CD2 3.82Å; I588-L590 HydrophobicContact CG1-CD2 3.93Å; L590-V611 CarbonylContact C-O 3.56Å; L590-V611 WeakPolarHBondContact CA-O 3.42Å; L590-V611 WeakPolarHBondContact CD2-O 3.49Å; L590-V642 HydrophobicContact CD1-CG1 4.37Å; L590-V642 HydrophobicContact CD1-CG2 4.23Å; L590-L645 HydrophobicContact CD2-CD1 3.95Å; L590-I660 HydrophobicContact CD1-CG2 3.64Å; L590-I660 HydrophobicContact CG-CG2 4.14Å; L590-I661 PolarHBondContact N-O 3.09Å; L590-F662 HydrophobicContact CB-CD2 3.57Å; L590-F662 HydrophobicContact CB-CE2 4.26Å; L590-F662 HydrophobicContact CB-CG 4.49Å; L590-F662 HydrophobicContact CD1-CD2 3.91Å; L590-F662 HydrophobicContact CG-CD2 4.39Å; L590-Y663 PolarHBondContact O-N 2.92Å
591	G	98.6	Very high	89.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135	171.8	0	0	0	0	0	110	V610 V611 Y663 A802	G591-V610 CarbonylContact O-C 3.21Å; G591-V610 VanDerWaalsContact O-CA 3.25Å; G591-V610 WeakPolarHBondContact O-CA 3.45Å; G591-V611 PolarHBondContact N-O 3.17Å; G591-V611 PolarHBondContact O-N 2.84Å; G591-Y663 CarbonylContact C-O 3.51Å; G591-Y663 WeakPolarHBondContact CA-O 3.29Å; G591-A802 WeakPolarHBondContact O-CB 3.33Å
592	A	98.4	Very high	88.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.5	-177	0	0	0	0	0	112.3	A609 V610 I635 F662 Y663 D665	A592-A609 VanDerWaalsContact CA-O 3.29Å; A592-A609 WeakPolarHBondContact CA-O 3.44Å; A592-V610 HydrophobicContact CB-CG2 4.01Å; A592-I635 HydrophobicContact CB-CD1 3.81Å; A592-F662 HydrophobicContact CB-CE1 4.15Å; A592-F662 HydrophobicContact CB-CE2 3.74Å; A592-F662 HydrophobicContact CB-CZ 3.35Å; A592-Y663 PolarHBondContact N-O 3.3Å; A592-D665 PolarHBondContact O-N 3.18Å
593	D	97.4	Very high	88.5	Confident	9 Å²	9	44.5 Å²	44.5	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.6	177.8	177.4	52.7	0	0	0	110.9	T595 A608 A609 A802 H803	D593-T595 PolarHBondContact OD2-OG1 3.26Å; D593-A608 WeakPolarHBondContact O-CA 3.46Å; D593-A609 PolarHBondContact N-O 2.81Å; D593-A609 PolarHBondContact O-N 3Å; D593-A802 HydrophobicContact CB-CB 3.86Å; D593-H803 HydrophobicContact CB-CB 4.4Å; D593-H803 IonicContact OD2-CD2 3.9Å
594	V	95.8	Very high	88.2	Confident	11 Å²	11	45.8 Å²	45.8	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.4	170.9	177.2	0	0	0	0	109.7	I607 A608 I635	V594-I607 CarbonylContact C-O 3.57Å; V594-I607 WeakPolarHBondContact CA-O 3.3Å; V594-A608 HydrophobicContact CG2-CB 4.09Å; V594-I635 HydrophobicContact CG2-CD1 4.31Å; V594-I635 HydrophobicContact CG2-CG1 3.65Å
595	T	92.4	Very high	88.1	Confident	20 Å²	20	38.5 Å²	38.5	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.8	177.4	-69.5	0	0	0	0	111	D593 I607 F807 R810	D593-T595 PolarHBondContact OD2-OG1 3.26Å; T595-I607 PolarHBondContact N-O 3.46Å; T595-I607 PolarHBondContact O-N 3.28Å; T595-F807 HydrophobicContact CG2-CE1 4.29Å; T595-R810 PolarHBondContact O-NH2 3.36Å
596	H	90.4	Very high	88.1	Confident	64 Å²	64	34.1 Å²	34.1	30%	0.296	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-73.6	157.3	174.4	-61.8	-38.9	0	0	0	113.6	S606 E633	H596-S606 PolarHBondContact ND1-OG 2.81Å; H596-S606 VanDerWaalsContact ND1-OG 3.11Å; H596-E633 IonicContact CE1-OE2 3.83Å; H596-E633 PolarHBondContact CE1-OE2 3.5Å; H596-E633 VanDerWaalsContact CE1-OE2 3.29Å; H596-E633 IonicContact NE2-OE2 2.73Å; H596-E633 PolarHBondContact NE2-OE2 2.84Å
597	P	85.3	Confident	88.1	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.039	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-65.7	159.7	170.6	32.8	-40.6	0	0	0	112.1	D601 K604	P597-D601 HydrophobicContact CB-CB 4.25Å; P597-K604 HydrophobicContact CB-CB 3.6Å; P597-K604 HydrophobicContact CG-CB 4.41Å; P597-K604 WeakPolarHBondContact CG-O 3.22Å
598	P	77.6	Confident	88.1	Confident	66 Å²	66	31.9 Å²	31.9	43%	0.429	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-50.4	150.8	175.4	-26.4	35.1	0	0	0	112.8	G600 D601 R631	P598-G600 PolarHBondContact O-N 3Å; P598-D601 WeakPolarHBondContact O-CB 3.42Å; P598-D601 PolarHBondContact O-N 3.21Å; P598-D601 VanDerWaalsContact O-N 3.13Å; P598-R631 PolarHBondContact O-NH2 3.36Å
599	A	68.7	Low	88.1	Confident	52 Å²	52	31.9 Å²	31.9	43%	0.43	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	135.9	-179.8	0	0	0	0	0	110.9	I349	I349-A599 HydrophobicContact CG2-CB 3.28Å
600	G	65.9	Low	88.1	Confident	77 Å²	77	31.9 Å²	31.9	79%	0.794	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	-12.4	-173.4	0	0	0	0	0	114.9	P598	P598-G600 PolarHBondContact O-N 3Å
601	D	69.4	Low	88.1	Confident	38 Å²	38	31.9 Å²	31.9	20%	0.203	20%	0.201	C	C	.	.			trans	-89.3	121.6	170.6	-162.2	-32.7	0	0	0	110	P597 P598 K603 K604 R631	P597-D601 HydrophobicContact CB-CB 4.25Å; P598-D601 WeakPolarHBondContact O-CB 3.42Å; P598-D601 PolarHBondContact O-N 3.21Å; P598-D601 VanDerWaalsContact O-N 3.13Å; D601-K603 PolarHBondContact OD1-N 3.46Å; D601-K604 PolarHBondContact OD1-N 2.81Å; D601-K604 WeakPolarHBondContact OD2-CD 3.3Å; D601-K604 WeakPolarHBondContact OD2-CE 3.28Å; D601-K604 WeakPolarHBondContact OD2-CG 3.39Å; D601-R631 PolarHBondContact O-NH2 3.46Å
602	G	71.9	Confident	88.1	Confident	58 Å²	58	31.9 Å²	31.9	60%	0.598	20%	0.201	S	C	*	.	S	Bend	trans	-108.8	-3.6	175.7	0	0	0	0	0	113.8
603	K	80.6	Confident	88.1	Confident	200 Å²	200	31.9 Å²	31.9	87%	0.87	20%	0.201	S	C	*	.	S	Bend	trans	-99.9	-35.7	-175.3	-66.4	-173.8	177.7	-174.2	0	112.2	D601	D601-K603 PolarHBondContact OD1-N 3.46Å
604	K	84.6	Confident	88.1	Confident	53 Å²	53	32 Å²	32	23%	0.23	20%	0.201	C	C	.	.	S	Bend	trans	-70.9	140.3	-177.6	-71.7	-175.1	-161.6	-143.8	0	111.7	P597 D601 P630 E817	P597-K604 HydrophobicContact CB-CB 3.6Å; P597-K604 HydrophobicContact CG-CB 4.41Å; P597-K604 WeakPolarHBondContact CG-O 3.22Å; D601-K604 PolarHBondContact OD1-N 2.81Å; D601-K604 WeakPolarHBondContact OD2-CD 3.3Å; D601-K604 WeakPolarHBondContact OD2-CE 3.28Å; D601-K604 WeakPolarHBondContact OD2-CG 3.39Å; K604-P630 WeakPolarHBondContact O-CB 3.1Å; K604-P630 WeakPolarHBondContact O-CG 3.34Å; K604-E817 WeakPolarHBondContact CE-OE1 3.25Å; K604-E817 IonicContact NZ-OE1 3.43Å; K604-E817 PolarHBondContact NZ-OE1 2.86Å; K604-E817 IonicContact NZ-OE2 3.73Å; K604-E817 PolarHBondContact NZ-OE2 3.3Å
605	P	90.8	Very high	88.1	Confident	15 Å²	15	32.5 Å²	32.5	10%	0.097	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-71.7	157	179.5	31.4	-37.1	0	0	0	111.7	V627 Q628 R810 L813 L841	P605-V627 HydrophobicContact CB-CB 4.16Å; P605-V627 HydrophobicContact CG-CB 4.35Å; P605-V627 HydrophobicContact CG-CG1 4.25Å; P605-Q628 WeakPolarHBondContact CB-O 3.18Å; P605-R810 PolarHBondContact O-NH1 3.42Å; P605-R810 PolarHBondContact O-NH2 2.85Å; P605-L813 HydrophobicContact CG-CD1 4.28Å; P605-L841 HydrophobicContact CG-CD1 4.23Å
606	S	93.1	Very high	88.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	151.2	159.3	-57.2	0	0	0	0	109	H596 Q628 R629 R631	H596-S606 PolarHBondContact ND1-OG 2.81Å; H596-S606 VanDerWaalsContact ND1-OG 3.11Å; S606-Q628 PolarHBondContact N-O 3.07Å; S606-Q628 VanDerWaalsContact N-O 3.12Å; S606-Q628 PolarHBondContact O-N 3.06Å; S606-R629 WeakPolarHBondContact CB-O 3.16Å; S606-R629 PolarHBondContact OG-O 3.17Å; S606-R629 VanDerWaalsContact OG-O 3.12Å; S606-R631 WeakPolarHBondContact OG-CA 3.39Å; S606-R631 PolarHBondContact OG-N 3.46Å
607	I	95.9	Very high	88.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.6	178.5	-59.8	173.9	0	0	0	107.6	V594 T595 V625 R626 A806 A809 R810 L813	V594-I607 CarbonylContact C-O 3.57Å; V594-I607 WeakPolarHBondContact CA-O 3.3Å; T595-I607 PolarHBondContact N-O 3.46Å; T595-I607 PolarHBondContact O-N 3.28Å; I607-V625 HydrophobicContact CG2-CG2 3.58Å; I607-R626 WeakPolarHBondContact CA-O 3.23Å; I607-A806 HydrophobicContact CG2-CB 4.17Å; I607-A809 HydrophobicContact CD1-CB 4.18Å; I607-A809 HydrophobicContact CG2-CB 3.89Å; I607-R810 HydrophobicContact CD1-CB 3.87Å; I607-L813 HydrophobicContact CD1-CD1 3.87Å; I607-L813 HydrophobicContact CG1-CD1 4.41Å
608	A	97.6	Very high	88.4	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.5	172.6	0	0	0	0	0	109.5	D593 V594 V625 R626 I635	D593-A608 WeakPolarHBondContact O-CA 3.46Å; V594-A608 HydrophobicContact CG2-CB 4.09Å; A608-V625 CarbonylContact O-C 3.56Å; A608-V625 WeakPolarHBondContact O-CA 3.39Å; A608-V625 WeakPolarHBondContact O-CG2 3.3Å; A608-R626 PolarHBondContact N-O 2.9Å; A608-R626 PolarHBondContact O-N 3.06Å; A608-I635 HydrophobicContact CB-CB 4.46Å; A608-I635 HydrophobicContact CB-CG1 4.09Å; A608-I635 HydrophobicContact CB-CG2 3.89Å
609	A	98.2	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.9	177.5	0	0	0	0	0	110.1	A592 D593 T624 V625 A802 V805 A806	A592-A609 VanDerWaalsContact CA-O 3.29Å; A592-A609 WeakPolarHBondContact CA-O 3.44Å; D593-A609 PolarHBondContact N-O 2.81Å; D593-A609 PolarHBondContact O-N 3Å; A609-T624 WeakPolarHBondContact CA-O 3.35Å; A609-V625 HydrophobicContact CB-CG2 4.43Å; A609-A802 VanDerWaalsContact CB-O 3.28Å; A609-A802 WeakPolarHBondContact CB-O 3.38Å; A609-V805 HydrophobicContact CB-CB 3.84Å; A609-V805 HydrophobicContact CB-CG1 3.64Å; A609-A806 HydrophobicContact CB-CB 3.95Å
610	V	98.7	Very high	90.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.4	174.6	-173.3	0	0	0	0	108.9	G591 A592 T624 I635 L638 M641 L645 F662	G591-V610 CarbonylContact O-C 3.21Å; G591-V610 VanDerWaalsContact O-CA 3.25Å; G591-V610 WeakPolarHBondContact O-CA 3.45Å; A592-V610 HydrophobicContact CB-CG2 4.01Å; V610-T624 PolarHBondContact N-O 3.12Å; V610-T624 PolarHBondContact O-N 3.13Å; V610-T624 PolarHBondContact O-OG1 2.79Å; V610-I635 HydrophobicContact CG2-CD1 4.19Å; V610-L638 HydrophobicContact CG2-CD1 3.7Å; V610-M641 HydrophobicContact CB-CB 4.48Å; V610-M641 HydrophobicContact CB-CE 3.84Å; V610-M641 HydrophobicContact CG2-CB 4.47Å; V610-M641 HydrophobicContact CG2-CE 3.58Å; V610-M641 HydrophobicContact CG2-SD 4.1Å; V610-L645 HydrophobicContact CB-CD1 4.29Å; V610-L645 HydrophobicContact CG1-CD1 3.7Å; V610-F662 HydrophobicContact CG1-CE2 4.36Å
611	V	98.7	Very high	92	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	153.8	174.3	-60.1	0	0	0	0	110.3	L590 G591 Y621 C622 A623 P798 A802 V805	L590-V611 CarbonylContact C-O 3.56Å; L590-V611 WeakPolarHBondContact CA-O 3.42Å; L590-V611 WeakPolarHBondContact CD2-O 3.49Å; G591-V611 PolarHBondContact N-O 3.17Å; G591-V611 PolarHBondContact O-N 2.84Å; V611-Y621 HydrophobicContact CB-CD1 4.26Å; V611-Y621 HydrophobicContact CG2-CD1 4.03Å; V611-C622 CarbonylContact C-O 3.52Å; V611-C622 WeakPolarHBondContact CA-O 3.43Å; V611-C622 WeakPolarHBondContact CB-O 3.43Å; V611-A623 HydrophobicContact CG1-CB 3.99Å; V611-P798 HydrophobicContact CG2-CB 4.25Å; V611-P798 WeakPolarHBondContact CG2-O 3.21Å; V611-A802 HydrophobicContact CG2-CB 4.44Å; V611-V805 HydrophobicContact CG1-CG2 3.88Å
612	G	98.6	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.8	173.8	0	0	0	0	0	112.1	F589 M614 Y621 C622	F589-G612 CarbonylContact O-C 3.59Å; F589-G612 WeakPolarHBondContact O-CA 3.49Å; G612-M614 VanDerWaalsContact C-CE 3.49Å; G612-M614 WeakPolarHBondContact O-CE 3.35Å; G612-Y621 CarbonylContact O-C 3.58Å; G612-Y621 WeakPolarHBondContact O-CA 3.47Å; G612-Y621 WeakPolarHBondContact O-CD1 3.33Å; G612-C622 PolarHBondContact N-O 3.41Å; G612-C622 PolarHBondContact O-N 2.66Å
613	S	98.4	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	146	173.1	60.6	0	0	0	0	110.3	F589 R620 Y621 F649	F589-S613 PolarHBondContact N-OG 3.09Å; F589-S613 PolarHBondContact O-N 3.44Å; S613-R620 CarbonylContact C-O 3.56Å; S613-R620 WeakPolarHBondContact CA-O 3.49Å; S613-Y621 VanDerWaalsContact N-CD1 3.3Å; S613-F649 VanDerWaalsContact O-CD2 3.27Å; S613-F649 WeakPolarHBondContact O-CD2 3.25Å
614	M	97.7	Very high	95.5	Very high	11 Å²	11	16.6 Å²	16.6	5%	0.054	9%	0.09	C	C	.	.			trans	-122.5	7.3	-173	-62	-68	133.9	0	0	113.5	G612 R620 C622 L645 Q648 S652 T653	G612-M614 VanDerWaalsContact C-CE 3.49Å; G612-M614 WeakPolarHBondContact O-CE 3.35Å; M614-R620 HydrophobicContact CB-CB 4.37Å; M614-R620 PolarHBondContact N-O 3.36Å; M614-C622 HydrophobicContact CE-CB 3.84Å; M614-C622 HydrophobicContact CG-CB 3.97Å; M614-C622 HydrophobicContact SD-CB 4Å; M614-L645 HydrophobicContact CE-CB 4.41Å; M614-L645 HydrophobicContact CE-CD2 3.88Å; M614-Q648 HydrophobicContact SD-CB 4.06Å; M614-Q648 HydrophobicContact SD-CG 3.7Å; M614-S652 WeakPolarHBondContact O-CB 3.42Å; M614-T653 WeakPolarHBondContact O-CG2 3.46Å
615	D	95.2	Very high	96.1	Very high	22 Å²	22	14.5 Å²	14.5	12%	0.118	8%	0.081	C	C	.	.	S	Bend	trans	-147.3	169.5	178	59.5	51.7	0	0	0	110.4	H617 P618 S619 R620	D615-H617 VanDerWaalsContact C-N 3.27Å; D615-H617 PolarHBondContact O-N 3.33Å; D615-H617 WeakPolarHBondContact OD1-CA 3.41Å; D615-H617 WeakPolarHBondContact OD1-CB 3.48Å; D615-H617 PolarHBondContact OD1-N 3.3Å; D615-P618 WeakPolarHBondContact OD1-CA 3.46Å; D615-S619 PolarHBondContact OD1-N 3.04Å; D615-R620 VanDerWaalsContact OD2-CB 3.28Å; D615-R620 WeakPolarHBondContact OD2-CB 3.38Å; D615-R620 WeakPolarHBondContact OD2-CG 3.39Å; D615-R620 PolarHBondContact OD2-N 2.77Å
616	A	93.8	Very high	96.3	Very high	67 Å²	67	16.9 Å²	16.9	55%	0.554	9%	0.088	S	C	*	.	S	Bend	trans	-78.7	-7.1	177.6	0	0	0	0	0	113.5	R579 P618	R579-A616 PolarHBondContact NH1-O 3.45Å; A616-P618 VanDerWaalsContact O-CD 3.29Å; A616-P618 WeakPolarHBondContact O-CD 3.41Å
617	H	91.3	Very high	96.4	Very high	54 Å²	54	18.4 Å²	18.4	25%	0.25	10%	0.097	C	C	.	.	S	Bend	trans	-83.5	4.3	178.2	-64	-56.3	0	0	0	114	I573 D615 S619	I573-H617 HydrophobicContact CB-CB 4.07Å; I573-H617 VanDerWaalsContact CD1-CE1 3.45Å; I573-H617 WeakPolarHBondContact CD1-CE1 3.42Å; I573-H617 WeakPolarHBondContact CD1-ND1 3.42Å; I573-H617 HydrophobicContact CG2-CB 3.65Å; D615-H617 VanDerWaalsContact C-N 3.27Å; D615-H617 PolarHBondContact O-N 3.33Å; D615-H617 WeakPolarHBondContact OD1-CA 3.41Å; D615-H617 WeakPolarHBondContact OD1-CB 3.48Å; D615-H617 PolarHBondContact OD1-N 3.3Å; H617-S619 VanDerWaalsContact C-N 3.31Å
618	P	89.8	Confident	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	S	Bend		-10.1	76.2	-123.4	27.4	-42.9	0	0	0	116.5	F583 F589 D615 A616 Y621 L782	F583-P618 VanDerWaalsContact CE1-CD 3.42Å; F583-P618 HydrophobicContact CE1-CG 3.91Å; F583-P618 HydrophobicContact CZ-CG 4.2Å; F589-P618 HydrophobicContact CD2-CB 3.6Å; F589-P618 HydrophobicContact CD2-CG 3.71Å; F589-P618 HydrophobicContact CE2-CB 4.03Å; F589-P618 HydrophobicContact CE2-CG 3.64Å; F589-P618 HydrophobicContact CG-CB 4.46Å; D615-P618 WeakPolarHBondContact OD1-CA 3.46Å; A616-P618 VanDerWaalsContact O-CD 3.29Å; A616-P618 WeakPolarHBondContact O-CD 3.41Å; P618-Y621 WeakPolarHBondContact O-CE2 3.26Å; P618-L782 HydrophobicContact CG-CD2 3.96Å
619	S	93.7	Very high	96	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.035	13%	0.132	C	C	.	.			trans	-100.3	-48.6	177.2	-164.1	0	0	0	0	112.6	N572 D615 H617 Y621	N572-S619 PolarHBondContact O-OG 3.01Å; D615-S619 PolarHBondContact OD1-N 3.04Å; H617-S619 VanDerWaalsContact C-N 3.31Å; S619-Y621 WeakPolarHBondContact O-CD2 3.39Å
620	R	96.4	Very high	95.5	Very high	95 Å²	95	30.1 Å²	30.1	36%	0.358	15%	0.15	S	C	.	.			trans	-85.3	141	178.8	-64.7	-176.2	61.1	164.3	-4.6	111.4	G568 I570 S613 M614 D615	G568-R620 PolarHBondContact O-NH1 3.5Å; I570-R620 HydrophobicContact CG1-CG 4.24Å; S613-R620 CarbonylContact C-O 3.56Å; S613-R620 WeakPolarHBondContact CA-O 3.49Å; M614-R620 HydrophobicContact CB-CB 4.37Å; M614-R620 PolarHBondContact N-O 3.36Å; D615-R620 VanDerWaalsContact OD2-CB 3.28Å; D615-R620 WeakPolarHBondContact OD2-CB 3.38Å; D615-R620 WeakPolarHBondContact OD2-CG 3.39Å; D615-R620 PolarHBondContact OD2-N 2.77Å
621	Y	98.4	Very high	95	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.5	176.3	-73	-103.2	0	0	0	111.6	F589 V611 G612 S613 P618 S619 P798 Y801 M855	F589-Y621 HydrophobicContact CB-CE1 4.48Å; V611-Y621 HydrophobicContact CB-CD1 4.26Å; V611-Y621 HydrophobicContact CG2-CD1 4.03Å; G612-Y621 CarbonylContact O-C 3.58Å; G612-Y621 WeakPolarHBondContact O-CA 3.47Å; G612-Y621 WeakPolarHBondContact O-CD1 3.33Å; S613-Y621 VanDerWaalsContact N-CD1 3.3Å; P618-Y621 WeakPolarHBondContact O-CE2 3.26Å; S619-Y621 WeakPolarHBondContact O-CD2 3.39Å; Y621-P798 HydrophobicContact CE1-CB 3.78Å; Y621-P798 HydrophobicContact CE1-CG 4.45Å; Y621-Y801 HydrophobicContact CD1-CD2 4.21Å; Y621-Y801 AromaticContact CD2-CD2 3.71Å; Y621-Y801 HydrophobicContact CD2-CD2 3.71Å; Y621-Y801 AromaticContact CD2-CE2 3.47Å; Y621-Y801 HydrophobicContact CD2-CE2 3.47Å; Y621-Y801 VanDerWaalsContact CD2-CE2 3.47Å; Y621-Y801 HydrophobicContact CE2-CD2 4.14Å; Y621-Y801 AromaticContact CE2-CE2 3.76Å; Y621-Y801 HydrophobicContact CE2-CE2 3.76Å; Y621-Y801 AromaticContact CG-CD2 3.77Å; Y621-Y801 HydrophobicContact CG-CD2 3.77Å; Y621-Y801 HydrophobicContact CG-CE2 4.03Å; Y621-M855 HydrophobicContact CD2-CE 4.41Å; Y621-M855 PolarHBondContact N-SD 3.27Å; Y621-M855 VanDerWaalsContact N-SD 3.4Å; Y621-M855 WeakPolarHBondContact O-CG 3.38Å
622	C	97.9	Very high	94.7	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	160.1	163.7	-71.8	0	0	0	0	110.1	V611 G612 M614 L645 Q648	V611-C622 CarbonylContact C-O 3.52Å; V611-C622 WeakPolarHBondContact CA-O 3.43Å; V611-C622 WeakPolarHBondContact CB-O 3.43Å; G612-C622 PolarHBondContact N-O 3.41Å; G612-C622 PolarHBondContact O-N 2.66Å; M614-C622 HydrophobicContact CE-CB 3.84Å; M614-C622 HydrophobicContact CG-CB 3.97Å; M614-C622 HydrophobicContact SD-CB 4Å; C622-L645 HydrophobicContact CB-CD2 4.15Å; C622-Q648 HydrophobicContact CB-CG 4.4Å
623	A	97.9	Very high	94.4	Very high	11 Å²	11	39.1 Å²	39.1	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.9	-174.1	0	0	0	0	0	112	V611 V805 Y856 F857	V611-A623 HydrophobicContact CG1-CB 3.99Å; A623-V805 HydrophobicContact CB-CB 4.47Å; A623-V805 HydrophobicContact CB-CG1 4.09Å; A623-V805 HydrophobicContact CB-CG2 3.52Å; A623-Y856 HydrophobicContact CB-CE1 4.26Å; A623-F857 HydrophobicContact CB-CD1 3.93Å; A623-F857 HydrophobicContact CB-CE1 3.67Å
624	T	98	Very high	94.3	Very high	6 Å²	6	40 Å²	40	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145	168	58.4	0	0	0	0	108	A609 V610 M641 E644 L645	A609-T624 WeakPolarHBondContact CA-O 3.35Å; V610-T624 PolarHBondContact N-O 3.12Å; V610-T624 PolarHBondContact O-N 3.13Å; V610-T624 PolarHBondContact O-OG1 2.79Å; T624-M641 VanDerWaalsContact C-CE 3.5Å; T624-M641 VanDerWaalsContact O-CE 3.28Å; T624-M641 WeakPolarHBondContact O-CE 3.17Å; T624-M641 WeakPolarHBondContact OG1-CB 3.31Å; T624-M641 VanDerWaalsContact OG1-CE 3.26Å; T624-M641 WeakPolarHBondContact OG1-CE 3.37Å; T624-E644 HydrophobicContact CG2-CB 4.03Å; T624-E644 WeakPolarHBondContact CG2-OE2 3.16Å; T624-L645 HydrophobicContact CG2-CD1 4.5Å; T624-L645 HydrophobicContact CG2-CD2 4.08Å; T624-L645 HydrophobicContact CG2-CG 3.96Å
625	V	97.4	Very high	94.3	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.9	-177.2	66.4	0	0	0	0	110.9	I607 A608 A609 V805 A809 V845	I607-V625 HydrophobicContact CG2-CG2 3.58Å; A608-V625 CarbonylContact O-C 3.56Å; A608-V625 WeakPolarHBondContact O-CA 3.39Å; A608-V625 WeakPolarHBondContact O-CG2 3.3Å; A609-V625 HydrophobicContact CB-CG2 4.43Å; V625-V805 HydrophobicContact CB-CG1 3.86Å; V625-V805 HydrophobicContact CG2-CG1 4.16Å; V625-A809 HydrophobicContact CG2-CB 3.62Å; V625-V845 HydrophobicContact CG1-CB 4.29Å; V625-V845 WeakPolarHBondContact CG1-O 3.49Å
626	R	96.3	Very high	94.3	Very high	65 Å²	65	44.4 Å²	44.4	25%	0.245	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.7	-178.8	-62.6	-65.4	-174.1	-91.3	-2	111.1	I607 A608 D637 M641 E644	I607-R626 WeakPolarHBondContact CA-O 3.23Å; A608-R626 PolarHBondContact N-O 2.9Å; A608-R626 PolarHBondContact O-N 3.06Å; R626-D637 WeakPolarHBondContact CD-OD2 3.4Å; R626-D637 HydrophobicContact CG-CB 4.11Å; R626-D637 IonicContact CZ-OD2 2.84Å; R626-D637 IonicContact NE-OD2 3.06Å; R626-D637 PolarHBondContact NE-OD2 3.47Å; R626-D637 IonicContact NH2-OD2 3.44Å; R626-M641 HydrophobicContact CB-SD 4.29Å; R626-M641 HydrophobicContact CG-CE 4.23Å; R626-M641 HydrophobicContact CG-CG 4Å; R626-M641 HydrophobicContact CG-SD 3.64Å; R626-E644 IonicContact CZ-OE1 3.95Å; R626-E644 IonicContact NH2-OE1 3.46Å; R626-E644 PolarHBondContact NH2-OE1 3.31Å
627	V	95.1	Very high	94.4	Very high	32 Å²	32	44.2 Å²	44.2	19%	0.194	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.9	166.1	-65.7	0	0	0	0	108.7	P605 L813 L841 A842 V845	P605-V627 HydrophobicContact CB-CB 4.16Å; P605-V627 HydrophobicContact CG-CB 4.35Å; P605-V627 HydrophobicContact CG-CG1 4.25Å; V627-L813 HydrophobicContact CG1-CD1 4.39Å; V627-L841 HydrophobicContact CG2-CB 4.07Å; V627-A842 HydrophobicContact CG2-CB 4.13Å; V627-V845 HydrophobicContact CG1-CG1 3.95Å; V627-V845 HydrophobicContact CG1-CG2 4.02Å
628	Q	93.4	Very high	94.7	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	176.4	177.8	69.1	-175.9	40.6	0	0	111.2	P605 S606 Q632 V634	P605-Q628 WeakPolarHBondContact CB-O 3.18Å; S606-Q628 PolarHBondContact N-O 3.07Å; S606-Q628 VanDerWaalsContact N-O 3.12Å; S606-Q628 PolarHBondContact O-N 3.06Å; Q628-Q632 PolarHBondContact NE2-O 2.82Å; Q628-V634 PolarHBondContact NE2-O 2.75Å
629	R	90.9	Very high	95.1	Very high	176 Å²	176	42.6 Å²	42.6	66%	0.664	20%	0.197	S	C	*	.	S	Bend	trans	-53.6	142.7	-175	-61	-179.2	177.4	176.7	-0.2	111.3	S606 R631 Q632	S606-R629 WeakPolarHBondContact CB-O 3.16Å; S606-R629 PolarHBondContact OG-O 3.17Å; S606-R629 VanDerWaalsContact OG-O 3.12Å; R629-R631 PolarHBondContact O-N 2.97Å; R629-Q632 HydrophobicContact CB-CB 4.2Å; R629-Q632 WeakPolarHBondContact O-CB 3.29Å; R629-Q632 PolarHBondContact O-N 3.45Å
630	P	88.4	Confident	95.3	Very high	59 Å²	59	44.3 Å²	44.3	38%	0.383	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.1	178.3	-25	33.2	0	0	0	111.6	K604 Q632	K604-P630 WeakPolarHBondContact O-CB 3.1Å; K604-P630 WeakPolarHBondContact O-CG 3.34Å; P630-Q632 PolarHBondContact O-N 3.44Å; P630-Q632 VanDerWaalsContact O-N 3.14Å
631	R	87.8	Confident	95.4	Very high	119 Å²	119	39.8 Å²	39.8	45%	0.449	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	15.1	178.2	-52.9	-178.7	-177.6	-74	-15.8	116.3	P598 D601 S606 R629	P598-R631 PolarHBondContact O-NH2 3.36Å; D601-R631 PolarHBondContact O-NH2 3.46Å; S606-R631 WeakPolarHBondContact OG-CA 3.39Å; S606-R631 PolarHBondContact OG-N 3.46Å; R629-R631 PolarHBondContact O-N 2.97Å
632	Q	91.6	Very high	95.4	Very high	52 Å²	52	39.7 Å²	39.7	24%	0.243	19%	0.192	C	C	.	.			trans	-77.1	125.6	167.5	-178	173.6	-12.5	0	0	110.2	Q628 R629 P630	Q628-Q632 PolarHBondContact NE2-O 2.82Å; R629-Q632 HydrophobicContact CB-CB 4.2Å; R629-Q632 WeakPolarHBondContact O-CB 3.29Å; R629-Q632 PolarHBondContact O-N 3.45Å; P630-Q632 PolarHBondContact O-N 3.44Å; P630-Q632 VanDerWaalsContact O-N 3.14Å
633	E	93.7	Very high	95.5	Very high	17 Å²	17	43.9 Å²	43.9	8%	0.079	21%	0.207	C	C	.	.			trans	-88.4	-36.6	-179.1	-171.4	58.4	-142.6	0	0	113.1	H596 I635 R664 V667 V675	H596-E633 IonicContact CE1-OE2 3.83Å; H596-E633 PolarHBondContact CE1-OE2 3.5Å; H596-E633 VanDerWaalsContact CE1-OE2 3.29Å; H596-E633 IonicContact NE2-OE2 2.73Å; H596-E633 PolarHBondContact NE2-OE2 2.84Å; E633-I635 PolarHBondContact O-N 3.45Å; E633-R664 PolarHBondContact O-NH2 3.23Å; E633-R664 IonicContact OE1-CZ 3.81Å; E633-R664 IonicContact OE1-NH1 2.88Å; E633-R664 IonicContact OE1-NH2 3.56Å; E633-R664 PolarHBondContact OE1-NH2 3.45Å; E633-V667 HydrophobicContact CG-CG2 4.48Å; E633-V675 HydrophobicContact CG-CG2 4.38Å
634	V	95.7	Very high	95.5	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.115	22%	0.22	C	C	.	.	S	Bend	trans	-65.8	129.3	177.4	179	0	0	0	0	109.6	Q628 Q636 Q674 V675 Y678 E679	Q628-V634 PolarHBondContact NE2-O 2.75Å; V634-Q636 PolarHBondContact O-N 2.92Å; V634-Q674 HydrophobicContact CG2-CG 4.34Å; V634-V675 HydrophobicContact CG2-CG2 4.11Å; V634-Y678 HydrophobicContact CG1-CD2 4.36Å; V634-Y678 HydrophobicContact CG1-CG 4.23Å; V634-Y678 HydrophobicContact CG2-CD2 4.4Å; V634-E679 HydrophobicContact CG1-CG 4.41Å
635	I	97.4	Very high	95.5	Very high	5 Å²	5	47 Å²	47	3%	0.026	22%	0.219	C	C	.	.			trans	-72.5	107.6	176.5	-59.9	170.9	0	0	0	109.4	A592 V594 A608 V610 E633 L638 M641 E679	A592-I635 HydrophobicContact CB-CD1 3.81Å; V594-I635 HydrophobicContact CG2-CD1 4.31Å; V594-I635 HydrophobicContact CG2-CG1 3.65Å; A608-I635 HydrophobicContact CB-CB 4.46Å; A608-I635 HydrophobicContact CB-CG1 4.09Å; A608-I635 HydrophobicContact CB-CG2 3.89Å; V610-I635 HydrophobicContact CG2-CD1 4.19Å; E633-I635 PolarHBondContact O-N 3.45Å; I635-L638 HydrophobicContact CB-CB 4.1Å; I635-L638 HydrophobicContact CD1-CD1 4.37Å; I635-L638 HydrophobicContact CG2-CB 3.75Å; I635-L638 HydrophobicContact CG2-CD1 4.16Å; I635-M641 HydrophobicContact CG2-SD 4.01Å; I635-E679 WeakPolarHBondContact CG1-OE1 3.42Å; I635-E679 PolarHBondContact N-OE1 3.01Å
636	Q	94.9	Very high	95.6	Very high	121 Å²	121	46.8 Å²	46.8	57%	0.565	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-38.3	-170.7	-172.2	175	2.6	0	0	113.4	V634	V634-Q636 PolarHBondContact O-N 2.92Å
637	D	96.3	Very high	95.6	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	30.9	-174.7	-167.7	31.4	0	0	0	112.1	R626 A639 S640 M641	R626-D637 WeakPolarHBondContact CD-OD2 3.4Å; R626-D637 HydrophobicContact CG-CB 4.11Å; R626-D637 IonicContact CZ-OD2 2.84Å; R626-D637 IonicContact NE-OD2 3.06Å; R626-D637 PolarHBondContact NE-OD2 3.47Å; R626-D637 IonicContact NH2-OD2 3.44Å; D637-A639 VanDerWaalsContact C-N 3.33Å; D637-A639 PolarHBondContact O-N 3.24Å; D637-S640 PolarHBondContact O-N 3.45Å; D637-S640 WeakPolarHBondContact OD1-CB 3.18Å; D637-M641 VanDerWaalsContact O-CG 3.25Å; D637-M641 WeakPolarHBondContact O-CG 3.44Å; D637-M641 PolarHBondContact O-N 2.92Å
638	L	98.3	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-38.5	-173.3	-176.4	61.2	0	0	0	112.4	V610 I635 S640 M641 V642 F662 E679 A682 I683	V610-L638 HydrophobicContact CG2-CD1 3.7Å; I635-L638 HydrophobicContact CB-CB 4.1Å; I635-L638 HydrophobicContact CD1-CD1 4.37Å; I635-L638 HydrophobicContact CG2-CB 3.75Å; I635-L638 HydrophobicContact CG2-CD1 4.16Å; L638-S640 PolarHBondContact O-N 2.99Å; L638-M641 PolarHBondContact O-N 3.38Å; L638-V642 HydrophobicContact CD1-CG2 3.73Å; L638-V642 HydrophobicContact CG-CG2 3.99Å; L638-V642 WeakPolarHBondContact O-CB 3.45Å; L638-V642 VanDerWaalsContact O-CG2 3.29Å; L638-V642 WeakPolarHBondContact O-CG2 3.28Å; L638-V642 PolarHBondContact O-N 3.2Å; L638-F662 HydrophobicContact CD1-CE2 4.23Å; L638-F662 HydrophobicContact CD1-CZ 4.22Å; L638-F662 HydrophobicContact CD2-CZ 4.22Å; L638-E679 HydrophobicContact CD2-CB 3.45Å; L638-E679 VanDerWaalsContact CD2-CB 3.45Å; L638-E679 HydrophobicContact CD2-CG 3.71Å; L638-E679 WeakPolarHBondContact CD2-O 3.33Å; L638-A682 HydrophobicContact CB-CB 3.9Å; L638-A682 HydrophobicContact CD2-CB 4.24Å; L638-A682 HydrophobicContact CG-CB 4.24Å; L638-I683 HydrophobicContact CD2-CD1 4.43Å; L638-I683 HydrophobicContact CD2-CG1 4.08Å
639	A	98.2	Very high	96	Very high	19 Å²	19	46 Å²	46	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-46.2	-178.4	0	0	0	0	0	111.6	D637 R643 A682 E685 A686	D637-A639 VanDerWaalsContact C-N 3.33Å; D637-A639 PolarHBondContact O-N 3.24Å; A639-R643 VanDerWaalsContact O-CB 3.26Å; A639-R643 WeakPolarHBondContact O-CB 3.45Å; A639-R643 PolarHBondContact O-N 3.17Å; A639-A682 WeakPolarHBondContact CA-O 3.44Å; A639-A682 HydrophobicContact CB-CB 4.09Å; A639-A682 WeakPolarHBondContact CB-O 3.4Å; A639-E685 HydrophobicContact CB-CB 4.45Å; A639-E685 HydrophobicContact CB-CG 4.46Å; A639-A686 VanDerWaalsContact O-CB 3.24Å; A639-A686 WeakPolarHBondContact O-CB 3.49Å
640	S	98	Very high	96.3	Very high	42 Å²	42	42.6 Å²	42.6	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-46.1	176.4	-173.3	0	0	0	0	111.9	D637 L638 V642 R643 E644	D637-S640 PolarHBondContact O-N 3.45Å; D637-S640 WeakPolarHBondContact OD1-CB 3.18Å; L638-S640 PolarHBondContact O-N 2.99Å; S640-V642 PolarHBondContact O-N 2.61Å; S640-R643 WeakPolarHBondContact O-CB 3.43Å; S640-R643 PolarHBondContact O-N 2.62Å; S640-E644 WeakPolarHBondContact O-CG 3.44Å; S640-E644 PolarHBondContact O-N 2.83Å
641	M	98.5	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-45.8	178.5	-68.4	173.6	84.2	0	0	112.2	V610 T624 R626 I635 D637 L638 E644 L645	V610-M641 HydrophobicContact CB-CB 4.48Å; V610-M641 HydrophobicContact CB-CE 3.84Å; V610-M641 HydrophobicContact CG2-CB 4.47Å; V610-M641 HydrophobicContact CG2-CE 3.58Å; V610-M641 HydrophobicContact CG2-SD 4.1Å; T624-M641 VanDerWaalsContact C-CE 3.5Å; T624-M641 VanDerWaalsContact O-CE 3.28Å; T624-M641 WeakPolarHBondContact O-CE 3.17Å; T624-M641 WeakPolarHBondContact OG1-CB 3.31Å; T624-M641 VanDerWaalsContact OG1-CE 3.26Å; T624-M641 WeakPolarHBondContact OG1-CE 3.37Å; R626-M641 HydrophobicContact CB-SD 4.29Å; R626-M641 HydrophobicContact CG-CE 4.23Å; R626-M641 HydrophobicContact CG-CG 4Å; R626-M641 HydrophobicContact CG-SD 3.64Å; I635-M641 HydrophobicContact CG2-SD 4.01Å; D637-M641 VanDerWaalsContact O-CG 3.25Å; D637-M641 WeakPolarHBondContact O-CG 3.44Å; D637-M641 PolarHBondContact O-N 2.92Å; L638-M641 PolarHBondContact O-N 3.38Å; M641-E644 PolarHBondContact O-N 3.49Å; M641-L645 WeakPolarHBondContact O-CG 3.39Å; M641-L645 PolarHBondContact O-N 3.2Å
642	V	98.7	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-41.9	177.8	172.6	0	0	0	0	110.8	L590 L638 S640 E644 L645 L646 I683 A686	L590-V642 HydrophobicContact CD1-CG1 4.37Å; L590-V642 HydrophobicContact CD1-CG2 4.23Å; L638-V642 HydrophobicContact CD1-CG2 3.73Å; L638-V642 HydrophobicContact CG-CG2 3.99Å; L638-V642 WeakPolarHBondContact O-CB 3.45Å; L638-V642 VanDerWaalsContact O-CG2 3.29Å; L638-V642 WeakPolarHBondContact O-CG2 3.28Å; L638-V642 PolarHBondContact O-N 3.2Å; S640-V642 PolarHBondContact O-N 2.61Å; V642-E644 VanDerWaalsContact C-N 3.35Å; V642-E644 PolarHBondContact O-N 2.81Å; V642-L645 PolarHBondContact O-N 3.46Å; V642-L646 HydrophobicContact CG1-CD1 3.85Å; V642-L646 HydrophobicContact CG1-CG 4.16Å; V642-L646 WeakPolarHBondContact O-CG 3.11Å; V642-L646 PolarHBondContact O-N 2.98Å; V642-I683 HydrophobicContact CG1-CG2 4.45Å; V642-I683 HydrophobicContact CG2-CG1 4.16Å; V642-A686 HydrophobicContact CB-CB 3.89Å; V642-A686 HydrophobicContact CG1-CB 3.77Å
643	R	98.5	Very high	97.4	Very high	95 Å²	95	41 Å²	41	36%	0.358	20%	0.204	S	C	.	.	H	α-helix	trans	-56.6	-47.1	175.6	-179.1	-173.4	171.6	104.2	0	111.6	A639 S640 L645 L646 I647 A686 S689 L690	A639-R643 VanDerWaalsContact O-CB 3.26Å; A639-R643 WeakPolarHBondContact O-CB 3.45Å; A639-R643 PolarHBondContact O-N 3.17Å; S640-R643 WeakPolarHBondContact O-CB 3.43Å; S640-R643 PolarHBondContact O-N 2.62Å; R643-L645 VanDerWaalsContact C-N 3.34Å; R643-L645 PolarHBondContact O-N 2.85Å; R643-L646 PolarHBondContact O-N 3.49Å; R643-I647 HydrophobicContact CG-CD1 4.07Å; R643-I647 VanDerWaalsContact O-CG1 3.31Å; R643-I647 WeakPolarHBondContact O-CG1 3.48Å; R643-I647 PolarHBondContact O-N 2.83Å; R643-A686 HydrophobicContact CB-CB 4.28Å; R643-S689 VanDerWaalsContact NH1-C 3.28Å; R643-S689 PolarHBondContact NH1-O 3.47Å; R643-S689 PolarHBondContact NH1-OG 3.3Å; R643-L690 HydrophobicContact CG-CD1 4.4Å; R643-L690 HydrophobicContact CG-CD2 3.78Å; R643-L690 HydrophobicContact CG-CG 4.05Å
644	E	97.9	Very high	97.6	Very high	78 Å²	78	48.7 Å²	48.7	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-45.2	176.4	-74.9	179.6	-149.6	0	0	111.9	T624 R626 S640 M641 V642 I647 Q648	T624-E644 HydrophobicContact CG2-CB 4.03Å; T624-E644 WeakPolarHBondContact CG2-OE2 3.16Å; R626-E644 IonicContact CZ-OE1 3.95Å; R626-E644 IonicContact NH2-OE1 3.46Å; R626-E644 PolarHBondContact NH2-OE1 3.31Å; S640-E644 WeakPolarHBondContact O-CG 3.44Å; S640-E644 PolarHBondContact O-N 2.83Å; M641-E644 PolarHBondContact O-N 3.49Å; V642-E644 VanDerWaalsContact C-N 3.35Å; V642-E644 PolarHBondContact O-N 2.81Å; E644-I647 PolarHBondContact O-N 3.36Å; E644-Q648 WeakPolarHBondContact O-CB 3.27Å; E644-Q648 PolarHBondContact O-N 3.41Å
645	L	98.6	Very high	97.6	Very high	3 Å²	3	55 Å²	55	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-39.9	-179.9	-67.9	171.7	0	0	0	112.4	L590 V610 M614 C622 T624 M641 V642 R643 Q648 F649	L590-L645 HydrophobicContact CD2-CD1 3.95Å; V610-L645 HydrophobicContact CB-CD1 4.29Å; V610-L645 HydrophobicContact CG1-CD1 3.7Å; M614-L645 HydrophobicContact CE-CB 4.41Å; M614-L645 HydrophobicContact CE-CD2 3.88Å; C622-L645 HydrophobicContact CB-CD2 4.15Å; T624-L645 HydrophobicContact CG2-CD1 4.5Å; T624-L645 HydrophobicContact CG2-CD2 4.08Å; T624-L645 HydrophobicContact CG2-CG 3.96Å; M641-L645 WeakPolarHBondContact O-CG 3.39Å; M641-L645 PolarHBondContact O-N 3.2Å; V642-L645 PolarHBondContact O-N 3.46Å; R643-L645 VanDerWaalsContact C-N 3.34Å; R643-L645 PolarHBondContact O-N 2.85Å; L645-Q648 PolarHBondContact O-N 3.06Å; L645-F649 WeakPolarHBondContact O-CB 3.23Å; L645-F649 PolarHBondContact O-N 2.96Å
646	L	98.6	Very high	97.6	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.9	-71.7	173.1	0	0	0	111.7	I588 V642 R643 Q648 F649 Y650 P657 I660 L690 Y694	I588-L646 HydrophobicContact CD1-CD2 4.34Å; I588-L646 HydrophobicContact CG2-CD2 4.25Å; V642-L646 HydrophobicContact CG1-CD1 3.85Å; V642-L646 HydrophobicContact CG1-CG 4.16Å; V642-L646 WeakPolarHBondContact O-CG 3.11Å; V642-L646 PolarHBondContact O-N 2.98Å; R643-L646 PolarHBondContact O-N 3.49Å; L646-Q648 VanDerWaalsContact C-N 3.31Å; L646-Q648 PolarHBondContact O-N 2.83Å; L646-F649 PolarHBondContact O-N 3.07Å; L646-Y650 PolarHBondContact O-N 2.95Å; L646-P657 HydrophobicContact CD2-CG 3.92Å; L646-I660 HydrophobicContact CD2-CD1 4.29Å; L646-L690 HydrophobicContact CB-CD1 3.7Å; L646-L690 HydrophobicContact CD1-CD1 3.72Å; L646-L690 HydrophobicContact CG-CD1 4.39Å; L646-Y694 HydrophobicContact CD1-CE1 4.25Å
647	I	98.2	Very high	97.8	Very high	57 Å²	57	54 Å²	54	29%	0.292	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-44.5	174.3	-68.7	167.6	0	0	0	110.1	R643 E644 Y650 K651 L690	R643-I647 HydrophobicContact CG-CD1 4.07Å; R643-I647 VanDerWaalsContact O-CG1 3.31Å; R643-I647 WeakPolarHBondContact O-CG1 3.48Å; R643-I647 PolarHBondContact O-N 2.83Å; E644-I647 PolarHBondContact O-N 3.36Å; I647-Y650 PolarHBondContact O-N 2.87Å; I647-K651 HydrophobicContact CG2-CD 4.11Å; I647-K651 WeakPolarHBondContact O-CG 3.49Å; I647-K651 PolarHBondContact O-N 3.46Å; I647-L690 HydrophobicContact CD1-CD2 3.81Å; I647-L690 HydrophobicContact CG1-CD2 3.64Å
648	Q	97.8	Very high	97.8	Very high	30 Å²	30	53.5 Å²	53.5	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-35.9	-179.2	-171.4	54.4	39.1	0	0	112.2	M614 C622 E644 L645 L646 K651 S652	M614-Q648 HydrophobicContact SD-CB 4.06Å; M614-Q648 HydrophobicContact SD-CG 3.7Å; C622-Q648 HydrophobicContact CB-CG 4.4Å; E644-Q648 WeakPolarHBondContact O-CB 3.27Å; E644-Q648 PolarHBondContact O-N 3.41Å; L645-Q648 PolarHBondContact O-N 3.06Å; L646-Q648 VanDerWaalsContact C-N 3.31Å; L646-Q648 PolarHBondContact O-N 2.83Å; Q648-K651 PolarHBondContact O-N 2.99Å; Q648-S652 PolarHBondContact NE2-OG 2.91Å; Q648-S652 WeakPolarHBondContact O-CB 3.45Å; Q648-S652 PolarHBondContact O-N 3.46Å; Q648-S652 PolarHBondContact O-OG 2.92Å
649	F	98.2	Very high	97.8	Very high	6 Å²	6	56 Å²	56	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-49.4	172.2	-178.2	-86.2	0	0	0	111.2	I588 S613 L645 L646 K651 S652 T653 Y655 P657	I588-F649 HydrophobicContact CB-CD2 4.13Å; I588-F649 HydrophobicContact CB-CE2 4.19Å; I588-F649 HydrophobicContact CD1-CB 3.92Å; I588-F649 HydrophobicContact CD1-CD2 3.95Å; I588-F649 HydrophobicContact CD1-CG 4.13Å; I588-F649 HydrophobicContact CG1-CD2 3.95Å; I588-F649 HydrophobicContact CG1-CE2 4.39Å; S613-F649 VanDerWaalsContact O-CD2 3.27Å; S613-F649 WeakPolarHBondContact O-CD2 3.25Å; L645-F649 WeakPolarHBondContact O-CB 3.23Å; L645-F649 PolarHBondContact O-N 2.96Å; L646-F649 PolarHBondContact O-N 3.07Å; F649-K651 VanDerWaalsContact C-N 3.33Å; F649-K651 PolarHBondContact O-N 2.67Å; F649-S652 PolarHBondContact O-N 3.33Å; F649-S652 VanDerWaalsContact O-N 3.1Å; F649-T653 HydrophobicContact CD1-CG2 4.41Å; F649-T653 WeakPolarHBondContact CD1-OG1 3.06Å; F649-T653 HydrophobicContact CD2-CG2 4.26Å; F649-T653 HydrophobicContact CE1-CG2 4.13Å; F649-T653 VanDerWaalsContact CE1-OG1 3.22Å; F649-T653 WeakPolarHBondContact CE1-OG1 3.47Å; F649-T653 HydrophobicContact CE2-CG2 3.98Å; F649-T653 HydrophobicContact CG-CG2 4.48Å; F649-T653 HydrophobicContact CZ-CG2 3.92Å; F649-T653 PolarHBondContact O-N 3.38Å; F649-T653 PolarHBondContact O-OG1 3.48Å; F649-Y655 VanDerWaalsContact CD1-O 3.29Å; F649-Y655 WeakPolarHBondContact CD1-O 3.3Å; F649-Y655 WeakPolarHBondContact CE1-O 3.45Å; F649-P657 HydrophobicContact CD1-CG 3.49Å; F649-P657 VanDerWaalsContact CD1-CG 3.49Å; F649-P657 HydrophobicContact CE1-CG 3.59Å; F649-P657 HydrophobicContact CG-CG 4.05Å; F649-P657 HydrophobicContact CZ-CG 4.22Å
650	Y	98	Very high	97.8	Very high	104 Å²	104	55.1 Å²	55.1	41%	0.408	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-40.7	177.5	-178.1	-103.4	0	0	0	111.9	L646 I647 S652 R654 K656	L646-Y650 PolarHBondContact O-N 2.95Å; I647-Y650 PolarHBondContact O-N 2.87Å; Y650-S652 VanDerWaalsContact C-N 3.25Å; Y650-S652 PolarHBondContact O-N 2.86Å; Y650-R654 WeakPolarHBondContact O-CA 3.35Å; Y650-R654 PolarHBondContact O-N 3.26Å; Y650-K656 HydrophobicContact CD2-CG 3.98Å; Y650-K656 HydrophobicContact CE2-CG 4.15Å
651	K	97.1	Very high	97.9	Very high	109 Å²	109	53.1 Å²	53.1	47%	0.474	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-34.2	174.6	-75.4	174.6	-179.1	175.9	0	112.9	I647 Q648 F649	I647-K651 HydrophobicContact CG2-CD 4.11Å; I647-K651 WeakPolarHBondContact O-CG 3.49Å; I647-K651 PolarHBondContact O-N 3.46Å; Q648-K651 PolarHBondContact O-N 2.99Å; F649-K651 VanDerWaalsContact C-N 3.33Å; F649-K651 PolarHBondContact O-N 2.67Å
652	S	95.9	Very high	97.9	Very high	60 Å²	60	53.1 Å²	53.1	42%	0.42	24%	0.236	S	C	.	.	H	α-helix	trans	-86.9	-34.5	-174.3	-51.8	0	0	0	0	112.6	M614 Q648 F649 Y650	M614-S652 WeakPolarHBondContact O-CB 3.42Å; Q648-S652 PolarHBondContact NE2-OG 2.91Å; Q648-S652 WeakPolarHBondContact O-CB 3.45Å; Q648-S652 PolarHBondContact O-N 3.46Å; Q648-S652 PolarHBondContact O-OG 2.92Å; F649-S652 PolarHBondContact O-N 3.33Å; F649-S652 VanDerWaalsContact O-N 3.1Å; Y650-S652 VanDerWaalsContact C-N 3.25Å; Y650-S652 PolarHBondContact O-N 2.86Å
653	T	96.5	Very high	97.9	Very high	28 Å²	28	53.1 Å²	53.1	17%	0.172	24%	0.236	C	C	.	.	H	α-helix	trans	-111.5	-20.5	-172.7	66.7	0	0	0	0	114	M614 F649 Y655	M614-T653 WeakPolarHBondContact O-CG2 3.46Å; F649-T653 HydrophobicContact CD1-CG2 4.41Å; F649-T653 WeakPolarHBondContact CD1-OG1 3.06Å; F649-T653 HydrophobicContact CD2-CG2 4.26Å; F649-T653 HydrophobicContact CE1-CG2 4.13Å; F649-T653 VanDerWaalsContact CE1-OG1 3.22Å; F649-T653 WeakPolarHBondContact CE1-OG1 3.47Å; F649-T653 HydrophobicContact CE2-CG2 3.98Å; F649-T653 HydrophobicContact CG-CG2 4.48Å; F649-T653 HydrophobicContact CZ-CG2 3.92Å; F649-T653 PolarHBondContact O-N 3.38Å; F649-T653 PolarHBondContact O-OG1 3.48Å; T653-Y655 WeakPolarHBondContact O-CD2 3.39Å; T653-Y655 PolarHBondContact O-N 3.4Å; T653-Y655 PolarHBondContact OG1-N 2.77Å; T653-Y655 VanDerWaalsContact OG1-N 3.13Å; T653-Y655 PolarHBondContact OG1-O 3.43Å
654	R	97.7	Very high	97.8	Very high	177 Å²	177	48.6 Å²	48.6	67%	0.668	22%	0.219	S	C	*	.	S	Bend	trans	61.8	13.6	-167.1	-54.1	-59.4	-176.6	167.8	1.9	114.9	Y650	Y650-R654 WeakPolarHBondContact O-CA 3.35Å; Y650-R654 PolarHBondContact O-N 3.26Å
655	Y	97.3	Very high	97.7	Very high	151 Å²	151	45.9 Å²	45.9	59%	0.592	21%	0.207	S	C	*	.			trans	-110.9	146.3	174.5	-69.4	-80.2	0	0	0	111.4	P586 F649 T653	P586-Y655 HydrophobicContact CB-CG 4.38Å; P586-Y655 HydrophobicContact CG-CD1 3.68Å; P586-Y655 HydrophobicContact CG-CG 3.84Å; F649-Y655 VanDerWaalsContact CD1-O 3.29Å; F649-Y655 WeakPolarHBondContact CD1-O 3.3Å; F649-Y655 WeakPolarHBondContact CE1-O 3.45Å; T653-Y655 WeakPolarHBondContact O-CD2 3.39Å; T653-Y655 PolarHBondContact O-N 3.4Å; T653-Y655 PolarHBondContact OG1-N 2.77Å; T653-Y655 VanDerWaalsContact OG1-N 3.13Å; T653-Y655 PolarHBondContact OG1-O 3.43Å
656	K	97.5	Very high	96.8	Very high	101 Å²	101	48 Å²	48	44%	0.439	23%	0.229	S	C	.	.			trans	-88.8	126.6	166.3	-62	-179.5	-173.6	175.7	0	108	P586 Y650 T658 E691 Y694	P586-K656 WeakPolarHBondContact CB-O 3.26Å; Y650-K656 HydrophobicContact CD2-CG 3.98Å; Y650-K656 HydrophobicContact CE2-CG 4.15Å; K656-T658 PolarHBondContact O-N 2.83Å; K656-E691 IonicContact NZ-OE1 3.31Å; K656-E691 PolarHBondContact NZ-OE1 2.82Å; K656-E691 IonicContact NZ-OE2 3.91Å; K656-E691 PolarHBondContact NZ-OE2 2.85Å; K656-Y694 HydrophobicContact CB-CE2 4.29Å
657	P	97.7	Very high	96.4	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.026	23%	0.228	C	C	.	.			trans	-57.5	128.4	175.8	-23.4	32.4	0	0	0	111.1	P586 I588 L646 F649 Y694 P696	P586-P657 CarbonylContact O-C 3.54Å; P586-P657 WeakPolarHBondContact O-CA 3.25Å; I588-P657 HydrophobicContact CB-CB 4.17Å; I588-P657 HydrophobicContact CB-CG 3.93Å; I588-P657 HydrophobicContact CG2-CB 3.79Å; I588-P657 HydrophobicContact CG2-CG 3.82Å; L646-P657 HydrophobicContact CD2-CG 3.92Å; F649-P657 HydrophobicContact CD1-CG 3.49Å; F649-P657 VanDerWaalsContact CD1-CG 3.49Å; F649-P657 HydrophobicContact CE1-CG 3.59Å; F649-P657 HydrophobicContact CG-CG 4.05Å; F649-P657 HydrophobicContact CZ-CG 4.22Å; P657-Y694 WeakPolarHBondContact CD-OH 3.46Å; P657-Y694 VanDerWaalsContact O-CE2 3.24Å; P657-Y694 WeakPolarHBondContact O-CE2 3.43Å; P657-Y694 PolarHBondContact O-OH 3.34Å; P657-P696 WeakPolarHBondContact O-CB 3.11Å
658	T	97.6	Very high	95.8	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.331	23%	0.232	S	C	.	.	S	Bend	trans	-83.8	-21.3	168.9	57.7	0	0	0	0	111.4	Q585 P586 K656 P696 G697	Q585-T658 HydrophobicContact CB-CG2 4.41Å; Q585-T658 VanDerWaalsContact CB-OG1 3.29Å; Q585-T658 WeakPolarHBondContact CB-OG1 3.42Å; Q585-T658 PolarHBondContact OE1-OG1 2.88Å; P586-T658 PolarHBondContact O-N 3.49Å; P586-T658 PolarHBondContact O-OG1 3.4Å; K656-T658 PolarHBondContact O-N 2.83Å; T658-P696 CarbonylContact O-C 3.59Å; T658-P696 VanDerWaalsContact O-CA 3.3Å; T658-P696 WeakPolarHBondContact O-CA 3.35Å; T658-P696 WeakPolarHBondContact O-CB 3.21Å; T658-G697 PolarHBondContact O-N 3.06Å
659	R	97.8	Very high	95.2	Very high	53 Å²	53	49.8 Å²	49.8	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.7	-178.6	-55.4	-171.2	176.2	89.6	9.9	111.7	V582 P586 I587 I588 G697 N768	V582-R659 PolarHBondContact O-NH1 2.96Å; P586-R659 PolarHBondContact O-N 2.86Å; I587-R659 HydrophobicContact CB-CB 4.41Å; I587-R659 HydrophobicContact CD1-CB 4.18Å; I587-R659 HydrophobicContact CG1-CB 4.11Å; I588-R659 PolarHBondContact N-O 3.23Å; I588-R659 VanDerWaalsContact N-O 3.09Å; R659-G697 CarbonylContact C-O 3.51Å; R659-G697 WeakPolarHBondContact CA-O 3.4Å; R659-N768 VanDerWaalsContact CD-OD1 3.25Å; R659-N768 WeakPolarHBondContact CD-OD1 3.33Å; R659-N768 VanDerWaalsContact CG-OD1 3.22Å; R659-N768 WeakPolarHBondContact CG-OD1 3.38Å; R659-N768 PolarHBondContact NE-OD1 3.32Å
660	I	98.6	Very high	94.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.7	174	-58.3	-179.6	0	0	0	108.5	I588 L590 L646 I683 P696 G697 I698 T699	I588-I660 HydrophobicContact CG2-CB 4.24Å; I588-I660 HydrophobicContact CG2-CG1 3.79Å; I588-I660 HydrophobicContact CG2-CG2 4.24Å; L590-I660 HydrophobicContact CD1-CG2 3.64Å; L590-I660 HydrophobicContact CG-CG2 4.14Å; L646-I660 HydrophobicContact CD2-CD1 4.29Å; I660-I683 HydrophobicContact CD1-CG2 4.02Å; I660-I683 HydrophobicContact CG2-CG2 4.48Å; I660-P696 HydrophobicContact CD1-CB 4.4Å; I660-P696 HydrophobicContact CD1-CG 3.61Å; I660-P696 HydrophobicContact CG1-CB 4.21Å; I660-P696 HydrophobicContact CG1-CG 3.97Å; I660-G697 PolarHBondContact N-O 3.2Å; I660-I698 HydrophobicContact CB-CG1 4.39Å; I660-I698 WeakPolarHBondContact O-CA 3.45Å; I660-T699 PolarHBondContact O-N 2.61Å
661	I	98.5	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.6	175.2	-49.7	-55.9	0	0	0	108.8	I587 I588 F589 L590 Y663 I701 F770	I587-I661 HydrophobicContact CD1-CD1 4.05Å; I587-I661 HydrophobicContact CD1-CG1 3.42Å; I587-I661 VanDerWaalsContact CD1-CG1 3.42Å; I587-I661 HydrophobicContact CG1-CG1 4.03Å; I588-I661 PolarHBondContact O-N 3.05Å; F589-I661 HydrophobicContact CD1-CB 3.84Å; F589-I661 HydrophobicContact CD1-CG1 4.16Å; F589-I661 HydrophobicContact CD1-CG2 4.22Å; F589-I661 HydrophobicContact CE1-CB 4.13Å; F589-I661 HydrophobicContact CE1-CG1 3.96Å; F589-I661 HydrophobicContact CE1-CG2 4.45Å; L590-I661 PolarHBondContact N-O 3.09Å; I661-Y663 HydrophobicContact CG2-CD2 4.18Å; I661-Y663 HydrophobicContact CG2-CE2 3.64Å; I661-I701 HydrophobicContact CG2-CD1 3.7Å; I661-F770 HydrophobicContact CD1-CE2 3.59Å; I661-F770 HydrophobicContact CD1-CZ 3.75Å
662	F	98.7	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108	-171.6	-172.4	-101.9	0	0	0	111.6	L590 A592 V610 L638 R664 I683 T699 F700 I701	L590-F662 HydrophobicContact CB-CD2 3.57Å; L590-F662 HydrophobicContact CB-CE2 4.26Å; L590-F662 HydrophobicContact CB-CG 4.49Å; L590-F662 HydrophobicContact CD1-CD2 3.91Å; L590-F662 HydrophobicContact CG-CD2 4.39Å; A592-F662 HydrophobicContact CB-CE1 4.15Å; A592-F662 HydrophobicContact CB-CE2 3.74Å; A592-F662 HydrophobicContact CB-CZ 3.35Å; V610-F662 HydrophobicContact CG1-CE2 4.36Å; L638-F662 HydrophobicContact CD1-CE2 4.23Å; L638-F662 HydrophobicContact CD1-CZ 4.22Å; L638-F662 HydrophobicContact CD2-CZ 4.22Å; F662-R664 HydrophobicContact CD1-CB 4.1Å; F662-R664 HydrophobicContact CE1-CB 3.73Å; F662-R664 HydrophobicContact CE1-CG 4.17Å; F662-I683 HydrophobicContact CB-CD1 4.39Å; F662-I683 HydrophobicContact CD1-CD1 4.24Å; F662-I683 HydrophobicContact CD2-CD1 4.03Å; F662-I683 HydrophobicContact CE2-CD1 4.36Å; F662-I683 HydrophobicContact CG-CD1 3.99Å; F662-T699 PolarHBondContact N-O 3.49Å; F662-F700 HydrophobicContact CD1-CD1 4.39Å; F662-F700 AromaticContact CD1-CD2 3.58Å; F662-F700 HydrophobicContact CD1-CD2 3.58Å; F662-F700 HydrophobicContact CD1-CE1 4.21Å; F662-F700 AromaticContact CD1-CE2 3.37Å; F662-F700 HydrophobicContact CD1-CE2 3.37Å; F662-F700 HydrophobicContact CD1-CG 4.1Å; F662-F700 AromaticContact CD1-CZ 3.71Å; F662-F700 HydrophobicContact CD1-CZ 3.71Å; F662-F700 HydrophobicContact CE1-CD2 4.11Å; F662-F700 HydrophobicContact CE1-CE1 4.35Å; F662-F700 AromaticContact CE1-CE2 3.4Å; F662-F700 HydrophobicContact CE1-CE2 3.4Å; F662-F700 AromaticContact CE1-CZ 3.54Å; F662-F700 HydrophobicContact CE1-CZ 3.54Å; F662-F700 HydrophobicContact CG-CD2 4.42Å; F662-F700 HydrophobicContact CG-CE2 4.47Å; F662-I701 PolarHBondContact O-N 2.85Å
663	Y	98.6	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.5	173.8	-72	-85.4	0	0	0	110.9	L590 G591 A592 I661 I701 V703 Y761 F775 T779 L782 P796 P798	L590-Y663 PolarHBondContact O-N 2.92Å; G591-Y663 CarbonylContact C-O 3.51Å; G591-Y663 WeakPolarHBondContact CA-O 3.29Å; A592-Y663 PolarHBondContact N-O 3.3Å; I661-Y663 HydrophobicContact CG2-CD2 4.18Å; I661-Y663 HydrophobicContact CG2-CE2 3.64Å; Y663-I701 HydrophobicContact CD1-CB 4.26Å; Y663-I701 HydrophobicContact CD1-CG2 4.31Å; Y663-I701 HydrophobicContact CE1-CB 4.49Å; Y663-I701 HydrophobicContact CE1-CD1 4.38Å; Y663-I701 HydrophobicContact CE1-CG2 4.37Å; Y663-V703 HydrophobicContact CD1-CG2 3.63Å; Y663-V703 HydrophobicContact CG-CG2 4.4Å; Y663-Y761 HydrophobicContact CD1-CE1 4.5Å; Y663-Y761 HydrophobicContact CE1-CD1 4.25Å; Y663-Y761 HydrophobicContact CE1-CE1 4.25Å; Y663-F775 HydrophobicContact CE1-CZ 4.25Å; Y663-T779 HydrophobicContact CE1-CG2 4.16Å; Y663-T779 PolarHBondContact OH-OG1 3.34Å; Y663-L782 HydrophobicContact CD2-CD1 4.49Å; Y663-L782 HydrophobicContact CE2-CD1 3.52Å; Y663-P796 HydrophobicContact CD1-CG 3.91Å; Y663-P796 HydrophobicContact CE1-CG 3.74Å; Y663-P796 HydrophobicContact CG-CG 4.4Å; Y663-P798 HydrophobicContact CD2-CG 4.13Å
664	R	98.1	Very high	92.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.7	-178.9	-175.5	64.5	-178.9	79.9	8.7	111.3	E633 F662 V667 E679 F700 I701 V702 V703	E633-R664 PolarHBondContact O-NH2 3.23Å; E633-R664 IonicContact OE1-CZ 3.81Å; E633-R664 IonicContact OE1-NH1 2.88Å; E633-R664 IonicContact OE1-NH2 3.56Å; E633-R664 PolarHBondContact OE1-NH2 3.45Å; F662-R664 HydrophobicContact CD1-CB 4.1Å; F662-R664 HydrophobicContact CE1-CB 3.73Å; F662-R664 HydrophobicContact CE1-CG 4.17Å; R664-V667 HydrophobicContact CG-CG2 3.66Å; R664-E679 VanDerWaalsContact CD-OE2 3.27Å; R664-E679 WeakPolarHBondContact CD-OE2 3.49Å; R664-E679 IonicContact CZ-OE1 2.75Å; R664-E679 IonicContact NE-OE1 2.78Å; R664-E679 PolarHBondContact NE-OE1 3.22Å; R664-E679 IonicContact NE-OE2 3.16Å; R664-E679 PolarHBondContact NE-OE2 3.47Å; R664-E679 VanDerWaalsContact NE-OE2 3.17Å; R664-E679 IonicContact NH2-OE1 3.61Å; R664-F700 HydrophobicContact CB-CE1 3.9Å; R664-F700 HydrophobicContact CB-CZ 4.06Å; R664-F700 HydrophobicContact CG-CE1 4.27Å; R664-F700 HydrophobicContact CG-CZ 4.15Å; R664-I701 PolarHBondContact N-O 2.91Å; R664-V702 HydrophobicContact CB-CG2 4.46Å; R664-V702 CarbonylContact O-C 3.49Å; R664-V702 VanDerWaalsContact O-CA 3.32Å; R664-V702 WeakPolarHBondContact O-CA 3.49Å; R664-V703 PolarHBondContact O-N 3.08Å
665	D	94.4	Very high	92.6	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.1	-178.1	-171.7	24.6	0	0	0	112.9	A592 V667 V703	A592-D665 PolarHBondContact O-N 3.18Å; D665-V667 PolarHBondContact O-N 2.86Å; D665-V703 WeakPolarHBondContact CA-O 3.41Å
666	G	80.3	Confident	92.5	Very high	47 Å²	47	36.7 Å²	36.7	49%	0.485	21%	0.209	S	C	.	.	S	Bend	trans	88.4	1.9	160.5	0	0	0	0	0	117.5	V703	G666-V703 PolarHBondContact N-O 3.4Å
667	V	90.9	Very high	92.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.204	C	C	.	.			trans	-75.6	135.3	177.7	-175	0	0	0	0	110.5	E633 R664 D665 Q671 F672 V675 V702 Q704	E633-V667 HydrophobicContact CG-CG2 4.48Å; R664-V667 HydrophobicContact CG-CG2 3.66Å; D665-V667 PolarHBondContact O-N 2.86Å; V667-Q671 HydrophobicContact CG1-CB 4.03Å; V667-F672 HydrophobicContact CG1-CD1 3.92Å; V667-F672 HydrophobicContact CG1-CE1 4.34Å; V667-V675 HydrophobicContact CG1-CB 4.09Å; V667-V675 HydrophobicContact CG1-CG1 4.39Å; V667-V675 HydrophobicContact CG1-CG2 3.73Å; V667-V675 HydrophobicContact CG2-CG1 4.08Å; V667-V675 HydrophobicContact CG2-CG2 4.38Å; V667-V702 HydrophobicContact CB-CG1 4.01Å; V667-V702 HydrophobicContact CB-CG2 4.32Å; V667-Q704 PolarHBondContact O-NE2 3.48Å
668	S	85.8	Confident	92.1	Very high	55 Å²	55	41.5 Å²	41.5	39%	0.385	23%	0.228	S	C	.	.			trans	-83.4	150.7	175.6	71.6	0	0	0	0	112.1	G670 Q671 F672	S668-G670 PolarHBondContact O-N 3.36Å; S668-Q671 WeakPolarHBondContact O-CA 3.43Å; S668-Q671 PolarHBondContact O-N 3.09Å; S668-Q671 PolarHBondContact OG-OE1 2.87Å; S668-F672 WeakPolarHBondContact O-CD1 3.36Å; S668-F672 PolarHBondContact O-N 3.25Å
669	E	84.4	Confident	92.1	Very high	76 Å²	76	38.9 Å²	38.9	36%	0.355	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-53.7	-39.4	-179.1	-71.3	172.1	171.3	0	0	112.9	R203 Q671 F672	R203-E669 IonicContact CZ-OE1 2.82Å; R203-E669 IonicContact CZ-OE2 2.77Å; R203-E669 IonicContact NE-OE1 3.59Å; R203-E669 IonicContact NE-OE2 3.81Å; R203-E669 IonicContact NH2-OE1 4Å; R203-E669 PolarHBondContact NH2-OE1 2.86Å; R203-E669 IonicContact NH2-OE2 3.44Å; R203-E669 PolarHBondContact NH2-OE2 3.38Å; E669-Q671 PolarHBondContact O-N 3.48Å; E669-F672 HydrophobicContact CB-CE2 4.26Å; E669-F672 HydrophobicContact CB-CZ 4.29Å; E669-F672 HydrophobicContact CG-CD2 4.47Å; E669-F672 HydrophobicContact CG-CE1 4.33Å; E669-F672 HydrophobicContact CG-CE2 3.76Å; E669-F672 HydrophobicContact CG-CZ 3.68Å; E669-F672 PolarHBondContact O-N 2.72Å; E669-F672 VanDerWaalsContact O-N 3.17Å
670	G	82.9	Confident	92.1	Very high	82 Å²	82	36.4 Å²	36.4	85%	0.845	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-65.1	-9	177.4	0	0	0	0	0	114.6	S668	S668-G670 PolarHBondContact O-N 3.36Å
671	Q	86.7	Confident	92	Very high	62 Å²	62	39.8 Å²	39.8	29%	0.29	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-115.2	-1	179.1	-64.6	174.5	-63.2	0	0	112.9	V667 S668 E669 R673 Q674 V675	V667-Q671 HydrophobicContact CG1-CB 4.03Å; S668-Q671 WeakPolarHBondContact O-CA 3.43Å; S668-Q671 PolarHBondContact O-N 3.09Å; S668-Q671 PolarHBondContact OG-OE1 2.87Å; E669-Q671 PolarHBondContact O-N 3.48Å; Q671-R673 PolarHBondContact O-N 3.16Å; Q671-Q674 PolarHBondContact O-N 3.2Å; Q671-V675 HydrophobicContact CB-CG2 4.27Å; Q671-V675 WeakPolarHBondContact O-CB 3.47Å; Q671-V675 WeakPolarHBondContact O-CG2 3.11Å; Q671-V675 PolarHBondContact O-N 2.98Å
672	F	89.7	Confident	92	Very high	10 Å²	10	40.4 Å²	40.4	4%	0.044	23%	0.225	C	C	.	.	H	α-helix	trans	-53.1	-51.5	-175.4	-77.4	-0.1	0	0	0	112.6	V667 S668 E669 V675 L676 V702 H762 L764	V667-F672 HydrophobicContact CG1-CD1 3.92Å; V667-F672 HydrophobicContact CG1-CE1 4.34Å; S668-F672 WeakPolarHBondContact O-CD1 3.36Å; S668-F672 PolarHBondContact O-N 3.25Å; E669-F672 HydrophobicContact CB-CE2 4.26Å; E669-F672 HydrophobicContact CB-CZ 4.29Å; E669-F672 HydrophobicContact CG-CD2 4.47Å; E669-F672 HydrophobicContact CG-CE1 4.33Å; E669-F672 HydrophobicContact CG-CE2 3.76Å; E669-F672 HydrophobicContact CG-CZ 3.68Å; E669-F672 PolarHBondContact O-N 2.72Å; E669-F672 VanDerWaalsContact O-N 3.17Å; F672-V675 PolarHBondContact O-N 3.28Å; F672-L676 WeakPolarHBondContact O-CB 3.47Å; F672-L676 PolarHBondContact O-N 3.48Å; F672-V702 HydrophobicContact CD1-CG2 4.38Å; F672-V702 HydrophobicContact CE1-CB 4.18Å; F672-V702 HydrophobicContact CE1-CG1 3.75Å; F672-V702 HydrophobicContact CE1-CG2 4.26Å; F672-V702 HydrophobicContact CZ-CB 4.43Å; F672-V702 HydrophobicContact CZ-CG1 4.18Å; F672-H762 HydrophobicContact CE2-CB 4.08Å; F672-H762 AromaticContact CE2-CG 3.76Å; F672-H762 AromaticContact CE2-ND1 3.79Å; F672-H762 HydrophobicContact CZ-CB 4.29Å; F672-L764 HydrophobicContact CB-CD1 4.04Å; F672-L764 HydrophobicContact CB-CD2 4.1Å; F672-L764 HydrophobicContact CD1-CD1 4.45Å; F672-L764 HydrophobicContact CD2-CD2 3.62Å; F672-L764 HydrophobicContact CE2-CD2 4.15Å; F672-L764 HydrophobicContact CG-CD1 4.17Å; F672-L764 HydrophobicContact CG-CD2 3.91Å
673	R	87	Confident	92	Very high	97 Å²	97	40.4 Å²	40.4	37%	0.366	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-42.8	-178.1	-63.7	-160.4	-176.5	108.6	-1.6	113	L144 Q671 H677	L144-R673 VanDerWaalsContact CB-CZ 3.45Å; L144-R673 VanDerWaalsContact CD2-NH1 3.32Å; Q671-R673 PolarHBondContact O-N 3.16Å; R673-H677 VanDerWaalsContact O-CB 3.27Å; R673-H677 WeakPolarHBondContact O-CB 3.36Å; R673-H677 PolarHBondContact O-N 3.22Å
674	Q	89.4	Confident	91.9	Very high	107 Å²	107	44 Å²	44	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-49.3	178.6	-174	-177.1	19.3	0	0	110.5	V634 Q671 H677 Y678	V634-Q674 HydrophobicContact CG2-CG 4.34Å; Q671-Q674 PolarHBondContact O-N 3.2Å; Q674-H677 PolarHBondContact O-N 3.42Å; Q674-Y678 HydrophobicContact CG-CD2 4.08Å; Q674-Y678 HydrophobicContact CG-CE2 3.97Å; Q674-Y678 WeakPolarHBondContact O-CD2 3.36Å; Q674-Y678 PolarHBondContact O-N 2.75Å
675	V	93.3	Very high	91.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-47.7	179.6	172.3	0	0	0	0	110.7	E633 V634 V667 Q671 F672 H677 Y678 E679 F700	E633-V675 HydrophobicContact CG-CG2 4.38Å; V634-V675 HydrophobicContact CG2-CG2 4.11Å; V667-V675 HydrophobicContact CG1-CB 4.09Å; V667-V675 HydrophobicContact CG1-CG1 4.39Å; V667-V675 HydrophobicContact CG1-CG2 3.73Å; V667-V675 HydrophobicContact CG2-CG1 4.08Å; V667-V675 HydrophobicContact CG2-CG2 4.38Å; Q671-V675 HydrophobicContact CB-CG2 4.27Å; Q671-V675 WeakPolarHBondContact O-CB 3.47Å; Q671-V675 WeakPolarHBondContact O-CG2 3.11Å; Q671-V675 PolarHBondContact O-N 2.98Å; F672-V675 PolarHBondContact O-N 3.28Å; V675-H677 VanDerWaalsContact C-N 3.34Å; V675-H677 PolarHBondContact O-N 3.27Å; V675-Y678 PolarHBondContact O-N 3.13Å; V675-E679 VanDerWaalsContact CG1-CD 3.46Å; V675-E679 HydrophobicContact CG1-CG 4.04Å; V675-E679 VanDerWaalsContact O-CB 3.24Å; V675-E679 WeakPolarHBondContact O-CB 3.43Å; V675-E679 WeakPolarHBondContact O-CG 3.35Å; V675-E679 PolarHBondContact O-N 3.46Å; V675-F700 HydrophobicContact CG1-CZ 4.3Å
676	L	94.7	Very high	92.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-55.4	-49.4	177.3	177.5	66.6	0	0	0	111.3	F10 L12 F672 Y678 L680 F700 L764 W765	F10-L676 HydrophobicContact CB-CD2 4.07Å; L12-L676 HydrophobicContact CD2-CD2 4.17Å; F672-L676 WeakPolarHBondContact O-CB 3.47Å; F672-L676 PolarHBondContact O-N 3.48Å; L676-Y678 PolarHBondContact O-N 3.46Å; L676-L680 HydrophobicContact CD1-CB 4.08Å; L676-L680 HydrophobicContact CD1-CD2 4.15Å; L676-L680 WeakPolarHBondContact O-CB 3.24Å; L676-L680 PolarHBondContact O-N 3Å; L676-F700 HydrophobicContact CD1-CB 4.19Å; L676-F700 HydrophobicContact CD1-CD1 4.24Å; L676-F700 HydrophobicContact CD1-CD2 4.21Å; L676-F700 HydrophobicContact CD1-CG 3.97Å; L676-L764 HydrophobicContact CB-CD1 4.19Å; L676-L764 HydrophobicContact CD1-CB 3.85Å; L676-L764 HydrophobicContact CD2-CB 4.11Å; L676-L764 WeakPolarHBondContact CD2-O 3.13Å; L676-L764 HydrophobicContact CG-CB 4.38Å; L676-W765 HydrophobicContact CD1-CB 3.99Å
677	H	92.6	Very high	92.9	Very high	74 Å²	74	46.7 Å²	46.7	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-56.5	-52.4	-176.6	177.9	78.1	0	0	0	112	F10 R673 Q674 V675 L681	F10-H677 HydrophobicContact CD2-CB 4.37Å; F10-H677 AromaticContact CD2-ND1 3.72Å; F10-H677 AromaticContact CE2-ND1 3.62Å; R673-H677 VanDerWaalsContact O-CB 3.27Å; R673-H677 WeakPolarHBondContact O-CB 3.36Å; R673-H677 PolarHBondContact O-N 3.22Å; Q674-H677 PolarHBondContact O-N 3.42Å; V675-H677 VanDerWaalsContact C-N 3.34Å; V675-H677 PolarHBondContact O-N 3.27Å; H677-L681 WeakPolarHBondContact O-CB 3.42Å; H677-L681 WeakPolarHBondContact O-CD1 3.44Å; H677-L681 WeakPolarHBondContact O-CG 3.41Å; H677-L681 PolarHBondContact O-N 3.38Å
678	Y	94.5	Very high	93.2	Very high	131 Å²	131	50.4 Å²	50.4	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-74	-42.8	-178.1	-70.3	-69.9	0	0	0	112.6	V634 Q674 V675 L676 A682	V634-Y678 HydrophobicContact CG1-CD2 4.36Å; V634-Y678 HydrophobicContact CG1-CG 4.23Å; V634-Y678 HydrophobicContact CG2-CD2 4.4Å; Q674-Y678 HydrophobicContact CG-CD2 4.08Å; Q674-Y678 HydrophobicContact CG-CE2 3.97Å; Q674-Y678 WeakPolarHBondContact O-CD2 3.36Å; Q674-Y678 PolarHBondContact O-N 2.75Å; V675-Y678 PolarHBondContact O-N 3.13Å; L676-Y678 PolarHBondContact O-N 3.46Å; Y678-A682 WeakPolarHBondContact O-CB 3.44Å; Y678-A682 PolarHBondContact O-N 2.93Å
679	E	97.9	Very high	93.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-76.6	-36.8	-173.4	-66.9	-170.6	-172.8	0	0	112.5	V634 I635 L638 R664 V675 A682 I683 F700	V634-E679 HydrophobicContact CG1-CG 4.41Å; I635-E679 WeakPolarHBondContact CG1-OE1 3.42Å; I635-E679 PolarHBondContact N-OE1 3.01Å; L638-E679 HydrophobicContact CD2-CB 3.45Å; L638-E679 VanDerWaalsContact CD2-CB 3.45Å; L638-E679 HydrophobicContact CD2-CG 3.71Å; L638-E679 WeakPolarHBondContact CD2-O 3.33Å; R664-E679 VanDerWaalsContact CD-OE2 3.27Å; R664-E679 WeakPolarHBondContact CD-OE2 3.49Å; R664-E679 IonicContact CZ-OE1 2.75Å; R664-E679 IonicContact NE-OE1 2.78Å; R664-E679 PolarHBondContact NE-OE1 3.22Å; R664-E679 IonicContact NE-OE2 3.16Å; R664-E679 PolarHBondContact NE-OE2 3.47Å; R664-E679 VanDerWaalsContact NE-OE2 3.17Å; R664-E679 IonicContact NH2-OE1 3.61Å; V675-E679 VanDerWaalsContact CG1-CD 3.46Å; V675-E679 HydrophobicContact CG1-CG 4.04Å; V675-E679 VanDerWaalsContact O-CB 3.24Å; V675-E679 WeakPolarHBondContact O-CB 3.43Å; V675-E679 WeakPolarHBondContact O-CG 3.35Å; V675-E679 PolarHBondContact O-N 3.46Å; E679-A682 PolarHBondContact O-N 3.16Å; E679-I683 WeakPolarHBondContact O-CG1 3.48Å; E679-I683 PolarHBondContact O-N 3.23Å; E679-F700 HydrophobicContact CB-CE2 3.77Å; E679-F700 HydrophobicContact CB-CZ 4.12Å
680	L	97	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-43.2	174.6	-178.1	62.9	0	0	0	111.4	F10 L676 A682 I683 R684 I698 W765	F10-L680 HydrophobicContact CD1-CD2 3.89Å; F10-L680 HydrophobicContact CE1-CD2 3.86Å; F10-L680 HydrophobicContact CG-CD2 4.34Å; F10-L680 HydrophobicContact CZ-CD2 4.26Å; L676-L680 HydrophobicContact CD1-CB 4.08Å; L676-L680 HydrophobicContact CD1-CD2 4.15Å; L676-L680 WeakPolarHBondContact O-CB 3.24Å; L676-L680 PolarHBondContact O-N 3Å; L680-A682 VanDerWaalsContact C-N 3.32Å; L680-A682 PolarHBondContact O-N 2.8Å; L680-I683 PolarHBondContact O-N 2.95Å; L680-R684 WeakPolarHBondContact O-CG 3.29Å; L680-R684 PolarHBondContact O-N 2.99Å; L680-I698 HydrophobicContact CD1-CB 4.19Å; L680-I698 HydrophobicContact CD1-CD1 3.91Å; L680-I698 HydrophobicContact CD1-CG2 3.77Å; L680-W765 HydrophobicContact CD1-CG 4.19Å; L680-W765 HydrophobicContact CD2-CB 4.27Å; L680-W765 HydrophobicContact CD2-CD2 3.62Å; L680-W765 HydrophobicContact CD2-CE3 4.05Å; L680-W765 HydrophobicContact CD2-CG 3.7Å
681	L	96.6	Very high	94.9	Very high	72 Å²	72	50.2 Å²	50.2	38%	0.377	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-42.4	175.1	-74.8	176.6	0	0	0	111.3	F10 H677 I683 R684 E685	F10-L681 HydrophobicContact CE2-CD1 4.3Å; F10-L681 HydrophobicContact CE2-CD2 4.2Å; F10-L681 HydrophobicContact CE2-CG 3.95Å; F10-L681 HydrophobicContact CZ-CD2 3.74Å; F10-L681 HydrophobicContact CZ-CG 3.98Å; H677-L681 WeakPolarHBondContact O-CB 3.42Å; H677-L681 WeakPolarHBondContact O-CD1 3.44Å; H677-L681 WeakPolarHBondContact O-CG 3.41Å; H677-L681 PolarHBondContact O-N 3.38Å; L681-I683 PolarHBondContact O-N 2.81Å; L681-R684 PolarHBondContact O-N 2.92Å; L681-E685 WeakPolarHBondContact O-CB 3.49Å; L681-E685 PolarHBondContact O-N 3.35Å
682	A	97.9	Very high	95.1	Very high	12 Å²	12	56 Å²	56	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-37.6	177.4	0	0	0	0	0	113	L638 A639 Y678 E679 L680 A686	L638-A682 HydrophobicContact CB-CB 3.9Å; L638-A682 HydrophobicContact CD2-CB 4.24Å; L638-A682 HydrophobicContact CG-CB 4.24Å; A639-A682 WeakPolarHBondContact CA-O 3.44Å; A639-A682 HydrophobicContact CB-CB 4.09Å; A639-A682 WeakPolarHBondContact CB-O 3.4Å; Y678-A682 WeakPolarHBondContact O-CB 3.44Å; Y678-A682 PolarHBondContact O-N 2.93Å; E679-A682 PolarHBondContact O-N 3.16Å; L680-A682 VanDerWaalsContact C-N 3.32Å; L680-A682 PolarHBondContact O-N 2.8Å; A682-A686 WeakPolarHBondContact O-CB 3.32Å; A682-A686 PolarHBondContact O-N 2.76Å
683	I	98.4	Very high	95.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-44.1	174.1	-64.8	162.7	0	0	0	110.5	L638 V642 I660 F662 E679 L680 L681 A686 C687 I698 F700	L638-I683 HydrophobicContact CD2-CD1 4.43Å; L638-I683 HydrophobicContact CD2-CG1 4.08Å; V642-I683 HydrophobicContact CG1-CG2 4.45Å; V642-I683 HydrophobicContact CG2-CG1 4.16Å; I660-I683 HydrophobicContact CD1-CG2 4.02Å; I660-I683 HydrophobicContact CG2-CG2 4.48Å; F662-I683 HydrophobicContact CB-CD1 4.39Å; F662-I683 HydrophobicContact CD1-CD1 4.24Å; F662-I683 HydrophobicContact CD2-CD1 4.03Å; F662-I683 HydrophobicContact CE2-CD1 4.36Å; F662-I683 HydrophobicContact CG-CD1 3.99Å; E679-I683 WeakPolarHBondContact O-CG1 3.48Å; E679-I683 PolarHBondContact O-N 3.23Å; L680-I683 PolarHBondContact O-N 2.95Å; L681-I683 PolarHBondContact O-N 2.81Å; I683-A686 WeakPolarHBondContact O-CB 3.31Å; I683-A686 PolarHBondContact O-N 3.34Å; I683-C687 PolarHBondContact O-N 3.2Å; I683-C687 PolarHBondContact O-SG 3Å; I683-I698 HydrophobicContact CB-CD1 4.21Å; I683-I698 HydrophobicContact CG2-CD1 3.57Å; I683-I698 HydrophobicContact CG2-CG1 4.1Å; I683-F700 HydrophobicContact CD1-CD2 4.25Å; I683-F700 HydrophobicContact CD1-CE2 4.38Å
684	R	97.8	Very high	95.8	Very high	76 Å²	76	60.2 Å²	60.2	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-42.8	176.6	-72.2	-179.5	173.1	175.4	0	111.9	L680 L681 A686 C687 I688 I698 D767	L680-R684 WeakPolarHBondContact O-CG 3.29Å; L680-R684 PolarHBondContact O-N 2.99Å; L681-R684 PolarHBondContact O-N 2.92Å; R684-A686 VanDerWaalsContact C-N 3.34Å; R684-A686 PolarHBondContact O-N 3.5Å; R684-C687 PolarHBondContact O-N 3.14Å; R684-I688 WeakPolarHBondContact O-CG1 3.36Å; R684-I688 PolarHBondContact O-N 3.03Å; R684-I698 HydrophobicContact CG-CD1 3.65Å; R684-D767 IonicContact NH2-OD1 3.9Å; R684-D767 IonicContact NH2-OD2 3.73Å
685	E	97.5	Very high	96.1	Very high	120 Å²	120	62.6 Å²	62.6	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-58.5	-45.3	174.6	-176.4	-174.2	171.8	0	0	111.2	A639 L681 C687 I688 S689	A639-E685 HydrophobicContact CB-CB 4.45Å; A639-E685 HydrophobicContact CB-CG 4.46Å; L681-E685 WeakPolarHBondContact O-CB 3.49Å; L681-E685 PolarHBondContact O-N 3.35Å; E685-C687 VanDerWaalsContact C-N 3.29Å; E685-C687 PolarHBondContact O-N 2.9Å; E685-I688 PolarHBondContact O-N 3.29Å; E685-S689 WeakPolarHBondContact O-CB 3.45Å; E685-S689 PolarHBondContact O-N 3.41Å; E685-S689 PolarHBondContact O-OG 3.31Å
686	A	98	Very high	96.3	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-44	176.2	0	0	0	0	0	111.8	A639 V642 R643 A682 I683 R684 S689 L690	A639-A686 VanDerWaalsContact O-CB 3.24Å; A639-A686 WeakPolarHBondContact O-CB 3.49Å; V642-A686 HydrophobicContact CB-CB 3.89Å; V642-A686 HydrophobicContact CG1-CB 3.77Å; R643-A686 HydrophobicContact CB-CB 4.28Å; A682-A686 WeakPolarHBondContact O-CB 3.32Å; A682-A686 PolarHBondContact O-N 2.76Å; I683-A686 WeakPolarHBondContact O-CB 3.31Å; I683-A686 PolarHBondContact O-N 3.34Å; R684-A686 VanDerWaalsContact C-N 3.34Å; R684-A686 PolarHBondContact O-N 3.5Å; A686-S689 PolarHBondContact O-OG 3.41Å; A686-L690 WeakPolarHBondContact O-CG 3.33Å; A686-L690 PolarHBondContact O-N 2.85Å
687	C	98.1	Very high	96.5	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-51.4	178.5	-60.3	0	0	0	0	111.8	I683 R684 E685 S689 L690 E691 Y694 P696	I683-C687 PolarHBondContact O-N 3.2Å; I683-C687 PolarHBondContact O-SG 3Å; R684-C687 PolarHBondContact O-N 3.14Å; E685-C687 VanDerWaalsContact C-N 3.29Å; E685-C687 PolarHBondContact O-N 2.9Å; C687-S689 VanDerWaalsContact C-N 3.28Å; C687-S689 PolarHBondContact O-N 3.34Å; C687-L690 WeakPolarHBondContact O-CB 3.23Å; C687-L690 PolarHBondContact O-N 3.44Å; C687-L690 VanDerWaalsContact O-N 3.1Å; C687-E691 PolarHBondContact O-N 2.94Å; C687-Y694 HydrophobicContact CB-CD1 3.57Å; C687-Y694 HydrophobicContact CB-CE1 3.82Å; C687-Y694 WeakPolarHBondContact CB-O 3.31Å; C687-P696 HydrophobicContact CB-CG 4.46Å
688	I	97	Very high	96.8	Very high	80 Å²	80	60.3 Å²	60.3	41%	0.41	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-35.4	-179.6	-64.8	167	0	0	0	111.5	R684 E685 L690 E691	R684-I688 WeakPolarHBondContact O-CG1 3.36Å; R684-I688 PolarHBondContact O-N 3.03Å; E685-I688 PolarHBondContact O-N 3.29Å; I688-L690 PolarHBondContact O-N 3.08Å; I688-E691 CarbonylContact O-C 3.58Å; I688-E691 PolarHBondContact O-N 3.07Å
689	S	97.1	Very high	96.9	Very high	58 Å²	58	54.1 Å²	54.1	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-20.8	178.4	79.7	0	0	0	0	113.6	R643 E685 A686 C687	R643-S689 VanDerWaalsContact NH1-C 3.28Å; R643-S689 PolarHBondContact NH1-O 3.47Å; R643-S689 PolarHBondContact NH1-OG 3.3Å; E685-S689 WeakPolarHBondContact O-CB 3.45Å; E685-S689 PolarHBondContact O-N 3.41Å; E685-S689 PolarHBondContact O-OG 3.31Å; A686-S689 PolarHBondContact O-OG 3.41Å; C687-S689 VanDerWaalsContact C-N 3.28Å; C687-S689 PolarHBondContact O-N 3.34Å
690	L	96.3	Very high	97	Very high	63 Å²	63	54.1 Å²	54.1	33%	0.33	27%	0.265	S	S	.	.	H	α-helix	trans	-85.2	-43.1	175.1	-72.2	168.9	0	0	0	110.8	R643 L646 I647 A686 C687 I688	R643-L690 HydrophobicContact CG-CD1 4.4Å; R643-L690 HydrophobicContact CG-CD2 3.78Å; R643-L690 HydrophobicContact CG-CG 4.05Å; L646-L690 HydrophobicContact CB-CD1 3.7Å; L646-L690 HydrophobicContact CD1-CD1 3.72Å; L646-L690 HydrophobicContact CG-CD1 4.39Å; I647-L690 HydrophobicContact CD1-CD2 3.81Å; I647-L690 HydrophobicContact CG1-CD2 3.64Å; A686-L690 WeakPolarHBondContact O-CG 3.33Å; A686-L690 PolarHBondContact O-N 2.85Å; C687-L690 WeakPolarHBondContact O-CB 3.23Å; C687-L690 PolarHBondContact O-N 3.44Å; C687-L690 VanDerWaalsContact O-N 3.1Å; I688-L690 PolarHBondContact O-N 3.08Å
691	E	95.9	Very high	97	Very high	87 Å²	87	54.1 Å²	54.1	41%	0.407	27%	0.265	S	S	.	.			trans	-156.9	131.1	-179.5	177.7	175.6	159	0	0	109.9	K656 C687 I688 E693 Y694	K656-E691 IonicContact NZ-OE1 3.31Å; K656-E691 PolarHBondContact NZ-OE1 2.82Å; K656-E691 IonicContact NZ-OE2 3.91Å; K656-E691 PolarHBondContact NZ-OE2 2.85Å; C687-E691 PolarHBondContact O-N 2.94Å; I688-E691 CarbonylContact O-C 3.58Å; I688-E691 PolarHBondContact O-N 3.07Å; E691-E693 PolarHBondContact O-N 2.82Å; E691-E693 VanDerWaalsContact O-N 3.09Å; E691-Y694 WeakPolarHBondContact O-CB 3.07Å; E691-Y694 PolarHBondContact O-N 3.37Å
692	K	90.4	Very high	97.1	Very high	184 Å²	184	50.7 Å²	50.7	80%	0.8	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.8	-166.9	-169.1	179.7	177.6	-173	0	114.3
693	E	94.4	Very high	97.1	Very high	166 Å²	166	50.1 Å²	50.1	78%	0.776	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	3.4	-177.6	-62.7	-176.5	179.5	0	0	113.2	E691 Q695	E691-E693 PolarHBondContact O-N 2.82Å; E691-E693 VanDerWaalsContact O-N 3.09Å; E693-Q695 PolarHBondContact O-N 3.47Å; E693-Q695 VanDerWaalsContact O-N 3.08Å
694	Y	97.1	Very high	96.9	Very high	29 Å²	29	51 Å²	51	11%	0.114	25%	0.246	C	C	.	.			trans	-77.4	101.6	-178.4	177	-121.1	0	0	0	111.1	L646 K656 P657 C687 E691 P696	L646-Y694 HydrophobicContact CD1-CE1 4.25Å; K656-Y694 HydrophobicContact CB-CE2 4.29Å; P657-Y694 WeakPolarHBondContact CD-OH 3.46Å; P657-Y694 VanDerWaalsContact O-CE2 3.24Å; P657-Y694 WeakPolarHBondContact O-CE2 3.43Å; P657-Y694 PolarHBondContact O-OH 3.34Å; C687-Y694 HydrophobicContact CB-CD1 3.57Å; C687-Y694 HydrophobicContact CB-CE1 3.82Å; C687-Y694 WeakPolarHBondContact CB-O 3.31Å; E691-Y694 WeakPolarHBondContact O-CB 3.07Å; E691-Y694 PolarHBondContact O-N 3.37Å; Y694-P696 HydrophobicContact CE1-CG 3.99Å; Y694-P696 HydrophobicContact CE2-CB 4.18Å; Y694-P696 HydrophobicContact CE2-CG 4.07Å
695	Q	96.4	Very high	96.6	Very high	158 Å²	158	50.8 Å²	50.8	74%	0.738	25%	0.247	S	C	*	.			trans	-127.3	72.9	-176.8	-63.9	-177.2	-13	0	0	110.7	E693	E693-Q695 PolarHBondContact O-N 3.47Å; E693-Q695 VanDerWaalsContact O-N 3.08Å
696	P	97.4	Very high	96.1	Very high	11 Å²	11	55 Å²	55	7%	0.071	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-67.3	150.1	176.3	31.2	-36.2	0	0	0	110.9	P657 T658 I660 C687 Y694 I698	P657-P696 WeakPolarHBondContact O-CB 3.11Å; T658-P696 CarbonylContact O-C 3.59Å; T658-P696 VanDerWaalsContact O-CA 3.3Å; T658-P696 WeakPolarHBondContact O-CA 3.35Å; T658-P696 WeakPolarHBondContact O-CB 3.21Å; I660-P696 HydrophobicContact CD1-CB 4.4Å; I660-P696 HydrophobicContact CD1-CG 3.61Å; I660-P696 HydrophobicContact CG1-CB 4.21Å; I660-P696 HydrophobicContact CG1-CG 3.97Å; C687-P696 HydrophobicContact CB-CG 4.46Å; Y694-P696 HydrophobicContact CE1-CG 3.99Å; Y694-P696 HydrophobicContact CE2-CB 4.18Å; Y694-P696 HydrophobicContact CE2-CG 4.07Å; P696-I698 PolarHBondContact O-N 2.58Å
697	G	97.6	Very high	95.8	Very high	14 Å²	14	55.5 Å²	55.5	14%	0.144	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125	175.5	0	0	0	0	0	111.4	T658 R659 I660 N768	T658-G697 PolarHBondContact O-N 3.06Å; R659-G697 CarbonylContact C-O 3.51Å; R659-G697 WeakPolarHBondContact CA-O 3.4Å; I660-G697 PolarHBondContact N-O 3.2Å; G697-N768 PolarHBondContact O-ND2 2.91Å
698	I	98.4	Very high	95.6	Very high	3 Å²	3	58 Å²	58	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.6	-178.4	-57.7	165.7	0	0	0	109.8	I660 L680 I683 R684 P696 D767	I660-I698 HydrophobicContact CB-CG1 4.39Å; I660-I698 WeakPolarHBondContact O-CA 3.45Å; L680-I698 HydrophobicContact CD1-CB 4.19Å; L680-I698 HydrophobicContact CD1-CD1 3.91Å; L680-I698 HydrophobicContact CD1-CG2 3.77Å; I683-I698 HydrophobicContact CB-CD1 4.21Å; I683-I698 HydrophobicContact CG2-CD1 3.57Å; I683-I698 HydrophobicContact CG2-CG1 4.1Å; R684-I698 HydrophobicContact CG-CD1 3.65Å; P696-I698 PolarHBondContact O-N 2.58Å; I698-D767 PolarHBondContact N-OD2 3.49Å; I698-D767 PolarHBondContact O-N 2.98Å
699	T	98.4	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.8	164.7	-49.4	0	0	0	0	108.8	I660 F662 I701 V763 W765 D766 N768 F770	I660-T699 PolarHBondContact O-N 2.61Å; F662-T699 PolarHBondContact N-O 3.49Å; T699-I701 HydrophobicContact CG2-CD1 3.74Å; T699-I701 HydrophobicContact CG2-CG1 4.01Å; T699-V763 HydrophobicContact CG2-CG1 4.18Å; T699-W765 CarbonylContact C-O 3.57Å; T699-W765 WeakPolarHBondContact CA-O 3.37Å; T699-D766 HydrophobicContact CG2-CB 4.08Å; T699-D766 WeakPolarHBondContact CG2-OD1 3.43Å; T699-D766 PolarHBondContact OG1-OD1 2.85Å; T699-N768 PolarHBondContact OG1-ND2 3.28Å; T699-F770 HydrophobicContact CG2-CD2 4.04Å; T699-F770 HydrophobicContact CG2-CE2 4.17Å; T699-F770 WeakPolarHBondContact OG1-CE2 3.45Å
700	F	98.5	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.5	-177	-165.4	-67.2	0	0	0	110	F662 R664 V675 L676 E679 I683 V702 L764 W765	F662-F700 HydrophobicContact CD1-CD1 4.39Å; F662-F700 AromaticContact CD1-CD2 3.58Å; F662-F700 HydrophobicContact CD1-CD2 3.58Å; F662-F700 HydrophobicContact CD1-CE1 4.21Å; F662-F700 AromaticContact CD1-CE2 3.37Å; F662-F700 HydrophobicContact CD1-CE2 3.37Å; F662-F700 HydrophobicContact CD1-CG 4.1Å; F662-F700 AromaticContact CD1-CZ 3.71Å; F662-F700 HydrophobicContact CD1-CZ 3.71Å; F662-F700 HydrophobicContact CE1-CD2 4.11Å; F662-F700 HydrophobicContact CE1-CE1 4.35Å; F662-F700 AromaticContact CE1-CE2 3.4Å; F662-F700 HydrophobicContact CE1-CE2 3.4Å; F662-F700 AromaticContact CE1-CZ 3.54Å; F662-F700 HydrophobicContact CE1-CZ 3.54Å; F662-F700 HydrophobicContact CG-CD2 4.42Å; F662-F700 HydrophobicContact CG-CE2 4.47Å; R664-F700 HydrophobicContact CB-CE1 3.9Å; R664-F700 HydrophobicContact CB-CZ 4.06Å; R664-F700 HydrophobicContact CG-CE1 4.27Å; R664-F700 HydrophobicContact CG-CZ 4.15Å; V675-F700 HydrophobicContact CG1-CZ 4.3Å; L676-F700 HydrophobicContact CD1-CB 4.19Å; L676-F700 HydrophobicContact CD1-CD1 4.24Å; L676-F700 HydrophobicContact CD1-CD2 4.21Å; L676-F700 HydrophobicContact CD1-CG 3.97Å; E679-F700 HydrophobicContact CB-CE2 3.77Å; E679-F700 HydrophobicContact CB-CZ 4.12Å; I683-F700 HydrophobicContact CD1-CD2 4.25Å; I683-F700 HydrophobicContact CD1-CE2 4.38Å; F700-V702 HydrophobicContact CE1-CG2 4.03Å; F700-L764 HydrophobicContact CD1-CB 4.05Å; F700-L764 HydrophobicContact CD1-CD1 4.09Å; F700-L764 HydrophobicContact CD1-CG 4.3Å; F700-L764 HydrophobicContact CE1-CD1 4.06Å; F700-L764 PolarHBondContact O-N 3.2Å; F700-W765 HydrophobicContact CB-CB 3.85Å; F700-W765 PolarHBondContact N-O 3.1Å; F700-W765 PolarHBondContact O-N 3.23Å
701	I	98.1	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.5	-174.3	-50.5	112.5	0	0	0	109.7	I661 F662 Y663 R664 T699 Y761 H762 V763 F775	I661-I701 HydrophobicContact CG2-CD1 3.7Å; F662-I701 PolarHBondContact O-N 2.85Å; Y663-I701 HydrophobicContact CD1-CB 4.26Å; Y663-I701 HydrophobicContact CD1-CG2 4.31Å; Y663-I701 HydrophobicContact CE1-CB 4.49Å; Y663-I701 HydrophobicContact CE1-CD1 4.38Å; Y663-I701 HydrophobicContact CE1-CG2 4.37Å; R664-I701 PolarHBondContact N-O 2.91Å; T699-I701 HydrophobicContact CG2-CD1 3.74Å; T699-I701 HydrophobicContact CG2-CG1 4.01Å; I701-Y761 HydrophobicContact CG2-CD1 4.26Å; I701-H762 WeakPolarHBondContact CA-O 3.45Å; I701-V763 HydrophobicContact CG1-CG2 4.3Å; I701-F775 HydrophobicContact CB-CZ 4.19Å; I701-F775 HydrophobicContact CD1-CE2 3.73Å; I701-F775 HydrophobicContact CD1-CZ 3.67Å; I701-F775 HydrophobicContact CG1-CE1 4.14Å; I701-F775 HydrophobicContact CG1-CE2 3.98Å; I701-F775 HydrophobicContact CG1-CZ 3.42Å; I701-F775 VanDerWaalsContact CG1-CZ 3.42Å; I701-F775 HydrophobicContact CG2-CE1 4.22Å; I701-F775 HydrophobicContact CG2-CZ 3.86Å
702	V	98.1	Very high	95.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.3	168.3	175.4	0	0	0	0	109.8	R664 V667 F672 F700 Q704 Y761 H762 L764	R664-V702 HydrophobicContact CB-CG2 4.46Å; R664-V702 CarbonylContact O-C 3.49Å; R664-V702 VanDerWaalsContact O-CA 3.32Å; R664-V702 WeakPolarHBondContact O-CA 3.49Å; V667-V702 HydrophobicContact CB-CG1 4.01Å; V667-V702 HydrophobicContact CB-CG2 4.32Å; F672-V702 HydrophobicContact CD1-CG2 4.38Å; F672-V702 HydrophobicContact CE1-CB 4.18Å; F672-V702 HydrophobicContact CE1-CG1 3.75Å; F672-V702 HydrophobicContact CE1-CG2 4.26Å; F672-V702 HydrophobicContact CZ-CB 4.43Å; F672-V702 HydrophobicContact CZ-CG1 4.18Å; F700-V702 HydrophobicContact CE1-CG2 4.03Å; V702-Q704 HydrophobicContact CG1-CG 3.93Å; V702-Y761 WeakPolarHBondContact O-CA 3.21Å; V702-H762 PolarHBondContact N-O 3.14Å; V702-H762 PolarHBondContact O-N 3.45Å; V702-L764 HydrophobicContact CG2-CD1 3.44Å; V702-L764 VanDerWaalsContact CG2-CD1 3.44Å; V702-L764 HydrophobicContact CG2-CG 3.96Å
703	V	97.6	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.5	173	-171.1	0	0	0	0	108.7	Y663 R664 D665 G666 H760 Y761 I795	Y663-V703 HydrophobicContact CD1-CG2 3.63Å; Y663-V703 HydrophobicContact CG-CG2 4.4Å; R664-V703 PolarHBondContact O-N 3.08Å; D665-V703 WeakPolarHBondContact CA-O 3.41Å; G666-V703 PolarHBondContact N-O 3.4Å; V703-H760 WeakPolarHBondContact CA-O 3.29Å; V703-Y761 HydrophobicContact CB-CD1 4.49Å; V703-Y761 HydrophobicContact CB-CE1 4.35Å; V703-Y761 HydrophobicContact CG1-CD1 4.28Å; V703-Y761 HydrophobicContact CG1-CE1 3.78Å; V703-Y761 HydrophobicContact CG2-CD1 3.82Å; V703-Y761 HydrophobicContact CG2-CE1 3.74Å; V703-I795 HydrophobicContact CG1-CB 4.31Å; V703-I795 HydrophobicContact CG1-CG2 3.65Å
704	Q	95	Very high	96.2	Very high	20 Å²	20	30 Å²	30	9%	0.093	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	105.4	176.6	-65.6	174.4	-37.7	0	0	109.6	V667 V702 H707 H760	V667-Q704 PolarHBondContact O-NE2 3.48Å; V702-Q704 HydrophobicContact CG1-CG 3.93Å; Q704-H707 PolarHBondContact O-CD2 3.11Å; Q704-H760 HydrophobicContact CB-CB 4.21Å; Q704-H760 PolarHBondContact N-O 3.14Å; Q704-H760 PolarHBondContact O-N 3.24Å; Q704-H760 PolarHBondContact OE1-ND1 2.94Å
705	K	90.4	Very high	96.1	Very high	70 Å²	70	32.3 Å²	32.3	30%	0.304	16%	0.155	S	C	.	.			trans	-86.2	-22.4	170.3	-173.2	176.2	174.8	173.3	0	113.1	S794 I795	K705-S794 WeakPolarHBondContact CE-OG 3.45Å; K705-S794 PolarHBondContact NZ-OG 3.36Å; K705-I795 HydrophobicContact CB-CG2 4.31Å; K705-I795 HydrophobicContact CD-CG2 4.36Å
706	R	88.1	Confident	95.9	Very high	210 Å²	210	34.1 Å²	34.1	79%	0.792	16%	0.155	S	C	*	.	S	Bend	trans	-103.2	80.6	-174.8	-61.9	-175.7	-170.7	175.7	7.6	110.6
707	H	91.8	Very high	95.7	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.046	19%	0.193	C	C	.	.	S	Bend	trans	-139.4	177.4	173.1	60.8	91.9	0	0	0	110.1	Q704 T709 R710 Y745 P758	Q704-H707 PolarHBondContact O-CD2 3.11Å; H707-T709 PolarHBondContact CE1-O 3.41Å; H707-T709 VanDerWaalsContact ND1-CB 3.3Å; H707-T709 WeakPolarHBondContact ND1-CB 3.33Å; H707-T709 PolarHBondContact ND1-N 2.96Å; H707-T709 PolarHBondContact ND1-OG1 3.02Å; H707-R710 PolarHBondContact O-NH1 3.32Å; H707-R710 PolarHBondContact O-NH2 2.97Å; H707-Y745 AromaticContact CE1-CE1 3.8Å; H707-Y745 AromaticContact ND1-CE1 3.91Å; H707-P758 PolarHBondContact CE1-O 2.85Å; H707-P758 PolarHBondContact NE2-O 3.28Å
708	H	93.8	Very high	95.5	Very high	54 Å²	54	43 Å²	43	25%	0.25	20%	0.197	C	C	.	.	S	Bend	trans	-104	-3.2	-173.7	-68.5	-83.4	0	0	0	114.4	N30 H199 N212 D214 R710	N30-H708 PolarHBondContact ND2-O 3.05Å; H199-H708 HydrophobicContact CB-CB 4.37Å; H199-H708 VanDerWaalsContact CB-ND1 3.35Å; H199-H708 WeakPolarHBondContact CB-ND1 3.2Å; H199-H708 WeakPolarHBondContact CD2-CB 3.14Å; H199-H708 AromaticContact CD2-CD2 3.59Å; H199-H708 AromaticContact CD2-CG 3.24Å; H199-H708 AromaticContact CD2-ND1 3.82Å; H199-H708 AromaticContact CE1-CD2 3.29Å; H199-H708 PolarHBondContact CE1-CD2 2.92Å; H199-H708 AromaticContact CE1-CG 3.8Å; H199-H708 AromaticContact CE1-NE2 3.83Å; H199-H708 AromaticContact CG-CD2 3.39Å; H199-H708 AromaticContact CG-CE1 3.6Å; H199-H708 AromaticContact CG-CG 3.2Å; H199-H708 AromaticContact CG-ND1 3.37Å; H199-H708 AromaticContact CG-NE2 3.67Å; H199-H708 AromaticContact ND1-CD2 3.23Å; H199-H708 PolarHBondContact ND1-CD2 3.07Å; H199-H708 AromaticContact ND1-CE1 3.7Å; H199-H708 AromaticContact ND1-CG 3.61Å; H199-H708 AromaticContact ND1-ND1 3.9Å; H199-H708 AromaticContact ND1-NE2 3.34Å; H199-H708 PolarHBondContact ND1-NE2 3.24Å; H199-H708 AromaticContact NE2-CD2 3.52Å; H199-H708 AromaticContact NE2-CG 3.61Å; N212-H708 WeakPolarHBondContact OD1-CB 3.35Å; N212-H708 PolarHBondContact OD1-O 2.92Å; D214-H708 HydrophobicContact CB-CB 4.01Å; D214-H708 IonicContact OD2-ND1 2.75Å; H708-R710 PolarHBondContact O-N 3.31Å
709	T	95.9	Very high	95.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	21%	0.21	C	C	.	.			trans	-62.7	128.3	169.1	-33.6	0	0	0	0	111.1	N30 N212 H707 I736 Y745	N30-T709 WeakPolarHBondContact OD1-CA 3.26Å; N212-T709 PolarHBondContact ND2-N 3.45Å; H707-T709 PolarHBondContact CE1-O 3.41Å; H707-T709 VanDerWaalsContact ND1-CB 3.3Å; H707-T709 WeakPolarHBondContact ND1-CB 3.33Å; H707-T709 PolarHBondContact ND1-N 2.96Å; H707-T709 PolarHBondContact ND1-OG1 3.02Å; T709-I736 HydrophobicContact CG2-CD1 4.03Å; T709-Y745 HydrophobicContact CG2-CD1 4.45Å; T709-Y745 HydrophobicContact CG2-CE1 3.87Å; T709-Y745 HydrophobicContact CG2-CE2 4.35Å; T709-Y745 WeakPolarHBondContact OG1-CE1 3.46Å; T709-Y745 PolarHBondContact OG1-OH 2.96Å
710	R	97.5	Very high	95	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	22%	0.222	C	C	.	.			trans	-127	145.4	173.3	-59.6	-63.9	173.3	-95.3	-12.6	108.2	A29 N30 D214 H707 H708 F712	A29-R710 WeakPolarHBondContact CA-O 3.48Å; N30-R710 HydrophobicContact CB-CB 4.46Å; N30-R710 PolarHBondContact N-O 3.03Å; N30-R710 PolarHBondContact OD1-N 3.04Å; N30-R710 PolarHBondContact OD1-O 2.57Å; D214-R710 IonicContact OD2-CZ 3.16Å; D214-R710 VanDerWaalsContact OD2-CZ 3.31Å; D214-R710 IonicContact OD2-NE 2.86Å; D214-R710 PolarHBondContact OD2-NE 3.37Å; D214-R710 IonicContact OD2-NH2 3.7Å; D214-R710 PolarHBondContact OD2-NH2 2.98Å; H707-R710 PolarHBondContact O-NH1 3.32Å; H707-R710 PolarHBondContact O-NH2 2.97Å; H708-R710 PolarHBondContact O-N 3.31Å; R710-F712 HydrophobicContact CB-CE1 4.42Å; R710-F712 HydrophobicContact CB-CE2 3.8Å; R710-F712 HydrophobicContact CB-CZ 3.64Å; R710-F712 HydrophobicContact CG-CZ 4.4Å
711	L	98.2	Very high	94.6	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.5	179.1	-68	174.7	0	0	0	107.9	L27 L28 A29 I726 V732 I736 P758	L27-L711 HydrophobicContact CD1-CD1 4.41Å; L28-L711 WeakPolarHBondContact O-CA 3.08Å; A29-L711 HydrophobicContact CB-CD2 3.96Å; L711-I726 HydrophobicContact CB-CD1 3.78Å; L711-I726 HydrophobicContact CB-CG2 4.47Å; L711-I726 HydrophobicContact CD1-CD1 4.29Å; L711-V732 HydrophobicContact CD1-CB 4.47Å; L711-V732 HydrophobicContact CD1-CG2 3.8Å; L711-V732 HydrophobicContact CD2-CG2 4.33Å; L711-I736 HydrophobicContact CD2-CD1 3.9Å; L711-P758 HydrophobicContact CD1-CB 4.01Å; L711-P758 HydrophobicContact CD1-CG 3.92Å; L711-P758 HydrophobicContact CG-CG 4.08Å
712	F	98.3	Very high	94.2	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.013	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.4	-178.6	-50.8	-80.8	0	0	0	109.5	L27 L28 N30 A368 R371 Q372 I375 M401 R710 A714 T755	L27-F712 CarbonylContact C-O 3.53Å; L27-F712 VanDerWaalsContact CA-O 3.23Å; L27-F712 WeakPolarHBondContact CA-O 3.43Å; L28-F712 HydrophobicContact CB-CB 4.38Å; L28-F712 PolarHBondContact N-O 3.17Å; L28-F712 WeakPolarHBondContact O-CD2 3.18Å; L28-F712 PolarHBondContact O-N 3.14Å; N30-F712 HydrophobicContact CB-CE2 4.29Å; A368-F712 HydrophobicContact CB-CD1 4.11Å; A368-F712 HydrophobicContact CB-CE1 4.4Å; A368-F712 WeakPolarHBondContact O-CD1 3.35Å; A368-F712 WeakPolarHBondContact O-CE1 3.18Å; R371-F712 HydrophobicContact CB-CE1 4.45Å; Q372-F712 HydrophobicContact CB-CD1 3.76Å; Q372-F712 HydrophobicContact CB-CD2 4.2Å; Q372-F712 HydrophobicContact CB-CE1 3.83Å; Q372-F712 HydrophobicContact CB-CE2 4.25Å; Q372-F712 HydrophobicContact CB-CG 3.95Å; Q372-F712 HydrophobicContact CB-CZ 4.08Å; Q372-F712 HydrophobicContact CG-CB 4.39Å; Q372-F712 HydrophobicContact CG-CD1 4.33Å; Q372-F712 HydrophobicContact CG-CD2 4Å; Q372-F712 HydrophobicContact CG-CE2 4.34Å; Q372-F712 HydrophobicContact CG-CG 3.99Å; I375-F712 HydrophobicContact CD1-CE2 4.44Å; I375-F712 HydrophobicContact CD1-CZ 4.08Å; M401-F712 HydrophobicContact CE-CD2 4.42Å; M401-F712 HydrophobicContact CE-CE2 3.96Å; M401-F712 HydrophobicContact SD-CD2 3.9Å; M401-F712 HydrophobicContact SD-CE2 3.99Å; R710-F712 HydrophobicContact CB-CE1 4.42Å; R710-F712 HydrophobicContact CB-CE2 3.8Å; R710-F712 HydrophobicContact CB-CZ 3.64Å; R710-F712 HydrophobicContact CG-CZ 4.4Å; F712-A714 PolarHBondContact O-N 3.47Å; F712-T755 HydrophobicContact CD1-CG2 4.43Å; F712-T755 HydrophobicContact CE1-CG2 3.72Å; F712-T755 HydrophobicContact CZ-CG2 4.41Å
713	C	97.8	Very high	93.9	Very high	3 Å²	3	64 Å²	64	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.2	172.2	-51.8	0	0	0	0	109.2	D715 E718 R719	C713-D715 VanDerWaalsContact C-N 3.32Å; C713-D715 VanDerWaalsContact CB-O 3.3Å; C713-D715 WeakPolarHBondContact CB-O 3.38Å; C713-E718 HydrophobicContact CB-CB 4.17Å; C713-E718 PolarHBondContact SG-O 2.94Å; C713-E718 VanDerWaalsContact SG-O 3.41Å; C713-R719 HydrophobicContact CB-CG 3.96Å
714	A	96.3	Very high	93.8	Very high	40 Å²	40	64.4 Å²	64.4	33%	0.331	31%	0.306	S	S	.	.	S	Bend	trans	-64.4	-44	170.6	0	0	0	0	0	109.8	K26 L28 F712	K26-A714 HydrophobicContact CB-CB 3.82Å; K26-A714 WeakPolarHBondContact O-CB 2.92Å; K26-A714 PolarHBondContact O-N 2.72Å; L28-A714 HydrophobicContact CG-CB 4.15Å; F712-A714 PolarHBondContact O-N 3.47Å
715	D	94.6	Very high	93.9	Very high	77 Å²	77	63.5 Å²	63.5	41%	0.412	30%	0.302	S	S	.	.	S	Bend	trans	-87.8	132.5	177.8	-65.7	-38.4	0	0	0	111.8	C713 N717 E718	C713-D715 VanDerWaalsContact C-N 3.32Å; C713-D715 VanDerWaalsContact CB-O 3.3Å; C713-D715 WeakPolarHBondContact CB-O 3.38Å; D715-N717 VanDerWaalsContact C-N 3.25Å; D715-N717 PolarHBondContact O-N 2.78Å; D715-E718 HydrophobicContact CB-CG 4.36Å; D715-E718 PolarHBondContact O-N 3.02Å
716	R	92.2	Very high	94.3	Very high	196 Å²	196	60.3 Å²	60.3	74%	0.74	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.4	-30.2	-178.5	-64.7	-173.4	178.3	-170.7	0.3	112.9	E718 R719	R716-E718 VanDerWaalsContact C-N 3.28Å; R716-E718 PolarHBondContact O-N 3.37Å; R716-R719 WeakPolarHBondContact O-CB 3.46Å; R716-R719 WeakPolarHBondContact O-CD 3.4Å; R716-R719 VanDerWaalsContact O-CG 3.32Å; R716-R719 WeakPolarHBondContact O-CG 3.49Å; R716-R719 PolarHBondContact O-N 3.38Å
717	N	93.3	Very high	94.7	Very high	163 Å²	163	51 Å²	51	87%	0.872	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-73.8	-18.6	-176.6	-64.4	-14.4	0	0	0	113.2	D715 R719	D715-N717 VanDerWaalsContact C-N 3.25Å; D715-N717 PolarHBondContact O-N 2.78Å; N717-R719 VanDerWaalsContact C-N 3.31Å
718	E	93.8	Very high	95	Very high	47 Å²	47	51 Å²	51	22%	0.22	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-87.5	-1.8	177.5	-64	-148.8	-129.3	0	0	113.1	I25 C713 D715 R716 V720	I25-E718 HydrophobicContact CD1-CB 4.26Å; I25-E718 WeakPolarHBondContact CD1-OE2 3.09Å; I25-E718 VanDerWaalsContact CG1-OE2 3.23Å; I25-E718 WeakPolarHBondContact CG1-OE2 3.46Å; C713-E718 HydrophobicContact CB-CB 4.17Å; C713-E718 PolarHBondContact SG-O 2.94Å; C713-E718 VanDerWaalsContact SG-O 3.41Å; D715-E718 HydrophobicContact CB-CG 4.36Å; D715-E718 PolarHBondContact O-N 3.02Å; R716-E718 VanDerWaalsContact C-N 3.28Å; R716-E718 PolarHBondContact O-N 3.37Å; E718-V720 PolarHBondContact O-N 2.7Å
719	R	94.3	Very high	95.2	Very high	77 Å²	77	48.4 Å²	48.4	29%	0.291	24%	0.244	S	C	.	.			trans	-72.2	124.5	179.4	-65.2	175.6	-179	-177.8	-3.7	110.2	C713 R716 N717	C713-R719 HydrophobicContact CB-CG 3.96Å; R716-R719 WeakPolarHBondContact O-CB 3.46Å; R716-R719 WeakPolarHBondContact O-CD 3.4Å; R716-R719 VanDerWaalsContact O-CG 3.32Å; R716-R719 WeakPolarHBondContact O-CG 3.49Å; R716-R719 PolarHBondContact O-N 3.38Å; N717-R719 VanDerWaalsContact C-N 3.31Å
720	V	92.3	Very high	95.3	Very high	42 Å²	42	48.3 Å²	48.3	26%	0.255	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-100.9	125.5	-176.1	-175.6	0	0	0	0	111.6	H428 E718 N725 P727	H428-V720 HydrophobicContact CB-CG1 4.45Å; E718-V720 PolarHBondContact O-N 2.7Å; V720-N725 PolarHBondContact N-O 2.86Å; V720-N725 PolarHBondContact O-N 2.75Å; V720-P727 HydrophobicContact CG2-CB 3.95Å
721	G	89.7	Confident	95.4	Very high	62 Å²	62	48.2 Å²	48.2	64%	0.639	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	-177.3	173	0	0	0	0	0	114.5	S723 G724	G721-S723 PolarHBondContact O-N 3.43Å; G721-G724 PolarHBondContact O-N 3.32Å
722	R	89.1	Confident	95.4	Very high	256 Å²	256	48.1 Å²	48.1	97%	0.966	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.2	-177.2	-175.4	177.8	178.1	-177.9	1.8	113.6	G724	R722-G724 VanDerWaalsContact C-N 3.3Å
723	S	92.2	Very high	95.3	Very high	8 Å²	8	48.1 Å²	48.1	6%	0.056	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.2	179.7	64.2	0	0	0	0	113.1	A368 P369 G721 N725 G751	A368-S723 PolarHBondContact N-O 2.97Å; P369-S723 WeakPolarHBondContact CD-O 3.39Å; G721-S723 PolarHBondContact O-N 3.43Å; S723-N725 WeakPolarHBondContact CB-ND2 3.37Å; S723-N725 PolarHBondContact O-N 3.01Å; S723-N725 PolarHBondContact OG-ND2 3.01Å; S723-G751 PolarHBondContact OG-O 3.26Å
724	G	95.8	Very high	95.1	Very high	9 Å²	9	49.6 Å²	49.6	9%	0.093	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	32.3	177.1	0	0	0	0	0	114.9	A368 G721 R722	A368-G724 WeakPolarHBondContact CB-O 3.23Å; G721-G724 PolarHBondContact O-N 3.32Å; R722-G724 VanDerWaalsContact C-N 3.3Å
725	N	97.4	Very high	94.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-82.6	167.1	-176.2	-82.2	-84.2	0	0	0	113.4	V720 S723 G754 S756	V720-N725 PolarHBondContact N-O 2.86Å; V720-N725 PolarHBondContact O-N 2.75Å; S723-N725 WeakPolarHBondContact CB-ND2 3.37Å; S723-N725 PolarHBondContact O-N 3.01Å; S723-N725 PolarHBondContact OG-ND2 3.01Å; N725-G754 PolarHBondContact ND2-O 2.73Å; N725-S756 WeakPolarHBondContact OD1-CB 3.23Å; N725-S756 PolarHBondContact OD1-N 2.91Å; N725-S756 PolarHBondContact OD1-OG 2.95Å
726	I	97.8	Very high	94.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-59.8	150.4	165.2	64.7	-176.2	0	0	0	111.6	L27 L711 T730 C747	L27-I726 HydrophobicContact CD2-CG2 3.7Å; L711-I726 HydrophobicContact CB-CD1 3.78Å; L711-I726 HydrophobicContact CB-CG2 4.47Å; L711-I726 HydrophobicContact CD1-CD1 4.29Å; I726-T730 HydrophobicContact CB-CG2 4.4Å; I726-T730 HydrophobicContact CD1-CG2 3.97Å; I726-C747 HydrophobicContact CD1-CB 3.51Å; I726-C747 HydrophobicContact CG1-CB 4.1Å
727	P	97.4	Very high	95	Very high	16 Å²	16	38.1 Å²	38.1	10%	0.104	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-66.8	152.7	177.7	25.8	-32.6	0	0	0	112.5	I25 V408 V720 G729 T730	I25-P727 HydrophobicContact CD1-CG 3.8Å; V408-P727 HydrophobicContact CG1-CB 4.45Å; V408-P727 HydrophobicContact CG1-CG 4.32Å; V408-P727 HydrophobicContact CG2-CG 3.71Å; V720-P727 HydrophobicContact CG2-CB 3.95Å; P727-G729 PolarHBondContact O-N 2.88Å; P727-T730 WeakPolarHBondContact CD-OG1 3.47Å; P727-T730 WeakPolarHBondContact CG-OG1 3.36Å; P727-T730 WeakPolarHBondContact O-CB 3.5Å; P727-T730 PolarHBondContact O-N 3.17Å; P727-T730 PolarHBondContact O-OG1 2.85Å
728	A	97.6	Very high	94.8	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	136.4	171.4	0	0	0	0	0	110.2	C747 Y780	A728-C747 CarbonylContact C-O 3.45Å; A728-C747 WeakPolarHBondContact CA-O 3.38Å; A728-Y780 PolarHBondContact O-OH 3.07Å
729	G	97.7	Very high	94.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-5	-174.8	0	0	0	0	0	114	L409 P727 T731 C747 Y780	L409-G729 PolarHBondContact N-O 2.84Å; P727-G729 PolarHBondContact O-N 2.88Å; G729-T731 PolarHBondContact O-N 3.09Å; G729-T731 PolarHBondContact O-OG1 3.23Å; G729-C747 PolarHBondContact N-O 2.88Å; G729-Y780 VanDerWaalsContact CA-CZ 3.41Å; G729-Y780 PolarHBondContact N-OH 2.94Å
730	T	98.6	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	121.5	174.2	-58.8	0	0	0	0	110.3	I25 L27 R407 I726 P727 C747	I25-T730 HydrophobicContact CG2-CG2 4.21Å; L27-T730 HydrophobicContact CD1-CG2 3.55Å; L27-T730 HydrophobicContact CD2-CG2 4.24Å; L27-T730 HydrophobicContact CG-CG2 4.5Å; R407-T730 CarbonylContact O-C 3.56Å; R407-T730 WeakPolarHBondContact O-CA 3.49Å; I726-T730 HydrophobicContact CB-CG2 4.4Å; I726-T730 HydrophobicContact CD1-CG2 3.97Å; P727-T730 WeakPolarHBondContact CD-OG1 3.47Å; P727-T730 WeakPolarHBondContact CG-OG1 3.36Å; P727-T730 WeakPolarHBondContact O-CB 3.5Å; P727-T730 PolarHBondContact O-N 3.17Å; P727-T730 PolarHBondContact O-OG1 2.85Å; T730-C747 PolarHBondContact O-N 3.22Å
731	T	98.7	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.9	-173.8	-55.4	0	0	0	0	109.7	G406 R407 L409 G729 F744 Y745 L746 Q776	G406-T731 CarbonylContact C-O 3.58Å; G406-T731 VanDerWaalsContact CA-O 3.23Å; G406-T731 WeakPolarHBondContact CA-O 3.45Å; R407-T731 PolarHBondContact N-O 2.84Å; R407-T731 PolarHBondContact O-N 3.23Å; L409-T731 VanDerWaalsContact CD1-OG1 3.28Å; L409-T731 WeakPolarHBondContact CD1-OG1 3.41Å; L409-T731 WeakPolarHBondContact CG-OG1 3.26Å; G729-T731 PolarHBondContact O-N 3.09Å; G729-T731 PolarHBondContact O-OG1 3.23Å; T731-F744 HydrophobicContact CG2-CD2 4.25Å; T731-Y745 CarbonylContact C-O 3.58Å; T731-Y745 VanDerWaalsContact CA-O 3.23Å; T731-Y745 WeakPolarHBondContact CA-O 3.42Å; T731-L746 VanDerWaalsContact OG1-CD1 3.29Å; T731-L746 WeakPolarHBondContact OG1-CD1 3.21Å; T731-Q776 HydrophobicContact CG2-CG 4.12Å
732	V	98.4	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	117.4	178.9	173.8	0	0	0	0	108.6	L27 V404 L711 I736 F744 Y745	L27-V732 HydrophobicContact CD1-CG2 3.58Å; V404-V732 HydrophobicContact CG1-CG1 3.54Å; V404-V732 HydrophobicContact CG1-CG2 4.23Å; L711-V732 HydrophobicContact CD1-CB 4.47Å; L711-V732 HydrophobicContact CD1-CG2 3.8Å; L711-V732 HydrophobicContact CD2-CG2 4.33Å; V732-I736 HydrophobicContact CG1-CD1 4.02Å; V732-I736 HydrophobicContact CG1-CG1 3.8Å; V732-F744 WeakPolarHBondContact O-CA 3.33Å; V732-F744 WeakPolarHBondContact O-CB 3.05Å; V732-Y745 PolarHBondContact N-O 3.5Å; V732-Y745 PolarHBondContact O-N 2.9Å
733	D	97.1	Very high	94.4	Very high	4 Å²	4	14 Å²	14	2%	0.021	8%	0.076	C	C	.	.			trans	-125.5	10.4	176.9	60	-24.4	0	0	0	113.5	R15 G19 R407 T737 F744 Q776	R15-D733 PolarHBondContact NH1-O 3.42Å; G19-D733 PolarHBondContact N-OD2 2.7Å; R407-D733 IonicContact CZ-OD1 2.72Å; R407-D733 IonicContact NE-OD1 3.64Å; R407-D733 IonicContact NH2-OD1 3.01Å; R407-D733 PolarHBondContact NH2-OD1 2.78Å; R407-D733 IonicContact NH2-OD2 3.64Å; R407-D733 PolarHBondContact NH2-OD2 3.36Å; D733-T737 VanDerWaalsContact C-OG1 3.24Å; D733-T737 PolarHBondContact O-OG1 3.29Å; D733-F744 HydrophobicContact CB-CB 3.76Å; D733-Q776 PolarHBondContact OD2-NE2 3.04Å
734	T	94.3	Very high	94.7	Very high	34 Å²	34	13.6 Å²	13.6	21%	0.209	7%	0.073	C	C	.	.	S	Bend	trans	-123.1	168.9	178.7	61.9	0	0	0	0	111.7	Y18 I736 T737	Y18-T734 HydrophobicContact CD1-CG2 3.54Å; Y18-T734 HydrophobicContact CE1-CG2 3.81Å; Y18-T734 HydrophobicContact CG-CG2 4.4Å; T734-I736 PolarHBondContact O-N 2.95Å; T734-T737 PolarHBondContact N-OG1 3.23Å
735	D	91.8	Very high	94.9	Very high	60 Å²	60	13.4 Å²	13.4	32%	0.321	7%	0.07	S	C	.	.	S	Bend	trans	64.9	-61	168	-52.3	-64.8	0	0	0	115.6	A205 M206 V404	A205-D735 VanDerWaalsContact CB-O 3.27Å; A205-D735 WeakPolarHBondContact CB-O 3.5Å; M206-D735 PolarHBondContact N-O 3.47Å; V404-D735 HydrophobicContact CG1-CB 4.16Å; V404-D735 HydrophobicContact CG2-CB 4.04Å
736	I	93.9	Very high	94.9	Very high	11 Å²	11	13.4 Å²	13.4	6%	0.056	7%	0.07	C	C	.	.	S	Bend	trans	-102.6	-1	-175.2	62.3	165.9	0	0	0	113.7	A29 C31 M210 A402 V404 T709 L711 V732 T734 Y745	A29-I736 HydrophobicContact CB-CD1 3.88Å; A29-I736 HydrophobicContact CB-CG2 3.99Å; C31-I736 HydrophobicContact CB-CG2 4.07Å; M210-I736 HydrophobicContact CE-CG2 4.46Å; A402-I736 HydrophobicContact CB-CG2 4.36Å; V404-I736 HydrophobicContact CG2-CG1 4.48Å; V404-I736 HydrophobicContact CG2-CG2 3.74Å; T709-I736 HydrophobicContact CG2-CD1 4.03Å; L711-I736 HydrophobicContact CD2-CD1 3.9Å; V732-I736 HydrophobicContact CG1-CD1 4.02Å; V732-I736 HydrophobicContact CG1-CG1 3.8Å; T734-I736 PolarHBondContact O-N 2.95Å; I736-Y745 HydrophobicContact CD1-CD2 4.29Å; I736-Y745 HydrophobicContact CD1-CE2 4.25Å; I736-Y745 HydrophobicContact CG1-CE2 4.4Å
737	T	93.5	Very high	94.9	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.069	C	C	.	.	S	Bend	trans	-86.3	170.5	176.3	47	0	0	0	0	111.9	A205 M206 D733 T734 D743 Y745	A205-T737 WeakPolarHBondContact CA-O 3.32Å; M206-T737 VanDerWaalsContact CE-OG1 3.28Å; M206-T737 WeakPolarHBondContact CE-OG1 3.45Å; M206-T737 PolarHBondContact N-O 3.04Å; D733-T737 VanDerWaalsContact C-OG1 3.24Å; D733-T737 PolarHBondContact O-OG1 3.29Å; T734-T737 PolarHBondContact N-OG1 3.23Å; T737-D743 WeakPolarHBondContact CB-OD1 3.45Å; T737-Y745 HydrophobicContact CG2-CD2 4.06Å; T737-Y745 HydrophobicContact CG2-CE2 4.17Å
738	H	90.1	Very high	95	Very high	32 Å²	32	12.5 Å²	12.5	15%	0.148	6%	0.064	C	C	.	.			trans	-56.8	137.6	-179.5	-165.5	-68.1	0	0	0	111.3	R15 M206 Y740 E741 D743	R15-H738 PolarHBondContact NH2-O 3.45Å; M206-H738 WeakPolarHBondContact CE-O 3.25Å; H738-Y740 AromaticContact CE1-CD1 3.91Å; H738-Y740 AromaticContact CE1-CE1 3.49Å; H738-Y740 VanDerWaalsContact CE1-CE1 3.49Å; H738-Y740 WeakPolarHBondContact CE1-CE1 3.42Å; H738-Y740 AromaticContact CE1-CE2 3.66Å; H738-Y740 AromaticContact CE1-CZ 3.31Å; H738-Y740 PolarHBondContact ND1-N 3.35Å; H738-Y740 PolarHBondContact O-N 2.9Å; H738-E741 HydrophobicContact CB-CB 4.06Å; H738-E741 IonicContact CD2-OE2 3.43Å; H738-E741 PolarHBondContact CD2-OE2 3.06Å; H738-E741 VanDerWaalsContact CD2-OE2 3.27Å; H738-E741 IonicContact CE1-OE1 3.34Å; H738-E741 IonicContact CE1-OE2 3.4Å; H738-E741 IonicContact CG-OE2 3.03Å; H738-E741 WeakPolarHBondContact ND1-CG 3.49Å; H738-E741 PolarHBondContact ND1-N 3.48Å; H738-E741 VanDerWaalsContact ND1-N 3.18Å; H738-E741 IonicContact NE2-OE1 2.69Å; H738-E741 IonicContact NE2-OE2 2.99Å; H738-E741 PolarHBondContact NE2-OE2 2.69Å; H738-D743 VanDerWaalsContact CB-OD1 3.22Å; H738-D743 WeakPolarHBondContact CB-OD1 3.11Å; H738-D743 VanDerWaalsContact N-CG 3.31Å; H738-D743 PolarHBondContact N-OD1 3.41Å; H738-D743 PolarHBondContact N-OD2 3.29Å
739	P	85.3	Confident	95	Very high	21 Å²	21	13.8 Å²	13.8	14%	0.136	7%	0.068	C	C	.	.	S	Bend	trans	-50.2	-48	-177.7	-24.6	22.5	0	0	0	115.1	L135 P204 A205	L135-P739 HydrophobicContact CD2-CG 3.92Å; P204-P739 HydrophobicContact CB-CG 4.07Å; A205-P739 WeakPolarHBondContact O-CG 3.5Å
740	Y	84.1	Confident	94.9	Very high	62 Å²	62	14.8 Å²	14.8	24%	0.243	8%	0.077	C	C	.	.	S	Bend	trans	-129.2	-20.2	-176	56.6	-99.1	0	0	0	115.9	R14 R15 V134 P141 H738	R14-Y740 CarbonylContact C-O 3.49Å; R14-Y740 WeakPolarHBondContact CA-O 3.47Å; R15-Y740 PolarHBondContact N-O 3.12Å; V134-Y740 HydrophobicContact CG1-CE1 3.9Å; P141-Y740 HydrophobicContact CG-CD1 4.21Å; P141-Y740 HydrophobicContact CG-CE1 3.36Å; P141-Y740 HydrophobicContact CG-CE2 3.9Å; P141-Y740 VanDerWaalsContact CG-OH 3.28Å; P141-Y740 WeakPolarHBondContact CG-OH 3.29Å; H738-Y740 AromaticContact CE1-CD1 3.91Å; H738-Y740 AromaticContact CE1-CE1 3.49Å; H738-Y740 VanDerWaalsContact CE1-CE1 3.49Å; H738-Y740 WeakPolarHBondContact CE1-CE1 3.42Å; H738-Y740 AromaticContact CE1-CE2 3.66Å; H738-Y740 AromaticContact CE1-CZ 3.31Å; H738-Y740 PolarHBondContact ND1-N 3.35Å; H738-Y740 PolarHBondContact O-N 2.9Å
741	E	90.8	Very high	94.5	Very high	18 Å²	18	15.5 Å²	15.5	8%	0.084	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-75.3	160.3	179.1	-59.9	174.9	175.1	0	0	111	L12 R15 H738 D743 H762	L12-E741 WeakPolarHBondContact CD1-OE1 3.43Å; R15-E741 PolarHBondContact NH2-O 2.88Å; H738-E741 HydrophobicContact CB-CB 4.06Å; H738-E741 IonicContact CD2-OE2 3.43Å; H738-E741 PolarHBondContact CD2-OE2 3.06Å; H738-E741 VanDerWaalsContact CD2-OE2 3.27Å; H738-E741 IonicContact CE1-OE1 3.34Å; H738-E741 IonicContact CE1-OE2 3.4Å; H738-E741 IonicContact CG-OE2 3.03Å; H738-E741 WeakPolarHBondContact ND1-CG 3.49Å; H738-E741 PolarHBondContact ND1-N 3.48Å; H738-E741 VanDerWaalsContact ND1-N 3.18Å; H738-E741 IonicContact NE2-OE1 2.69Å; H738-E741 IonicContact NE2-OE2 2.99Å; H738-E741 PolarHBondContact NE2-OE2 2.69Å; E741-D743 PolarHBondContact O-N 3.29Å; E741-H762 IonicContact OE2-CE1 3.68Å; E741-H762 PolarHBondContact OE2-CE1 2.71Å; E741-H762 IonicContact OE2-NE2 2.75Å; E741-H762 PolarHBondContact OE2-NE2 2.92Å
742	F	94.9	Very high	94.1	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.114	C	C	.	.			trans	-88.7	90.7	-178.1	-172.3	14.4	0	0	0	112	P13 R15 P16 F744 V763 A772 F775	P13-F742 PolarHBondContact O-N 2.93Å; R15-F742 HydrophobicContact CG-CD1 4.41Å; P16-F742 HydrophobicContact CG-CD2 4.02Å; P16-F742 HydrophobicContact CG-CE1 4.35Å; P16-F742 HydrophobicContact CG-CE2 3.75Å; P16-F742 HydrophobicContact CG-CG 4.44Å; P16-F742 HydrophobicContact CG-CZ 3.94Å; F742-F744 HydrophobicContact CE1-CD1 4.42Å; F742-V763 HydrophobicContact CB-CB 4.09Å; F742-V763 HydrophobicContact CB-CG2 4.47Å; F742-V763 HydrophobicContact CD1-CG2 4.49Å; F742-V763 HydrophobicContact CD2-CB 3.76Å; F742-V763 HydrophobicContact CD2-CG1 4.08Å; F742-V763 HydrophobicContact CD2-CG2 3.62Å; F742-V763 HydrophobicContact CE2-CB 4.46Å; F742-V763 HydrophobicContact CE2-CG2 3.9Å; F742-V763 HydrophobicContact CG-CB 4.06Å; F742-V763 HydrophobicContact CG-CG2 3.94Å; F742-V763 HydrophobicContact CZ-CG2 4.44Å; F742-V763 PolarHBondContact O-N 2.9Å; F742-A772 HydrophobicContact CE1-CB 4.28Å; F742-F775 HydrophobicContact CE2-CD1 4.36Å; F742-F775 HydrophobicContact CZ-CB 4.23Å; F742-F775 AromaticContact CZ-CD1 3.99Å; F742-F775 HydrophobicContact CZ-CD1 3.99Å; F742-F775 HydrophobicContact CZ-CG 4.49Å
743	D	96.3	Very high	93.6	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156	176.4	72.8	-39.1	0	0	0	113.6	R15 T737 H738 E741 H760 Y761 H762	R15-D743 IonicContact CZ-OD1 3.8Å; R15-D743 PolarHBondContact NH1-O 3.25Å; R15-D743 IonicContact NH1-OD1 2.79Å; R15-D743 PolarHBondContact NH2-O 3.34Å; R15-D743 IonicContact NH2-OD1 3.05Å; R15-D743 PolarHBondContact NH2-OD1 3.49Å; T737-D743 WeakPolarHBondContact CB-OD1 3.45Å; H738-D743 VanDerWaalsContact CB-OD1 3.22Å; H738-D743 WeakPolarHBondContact CB-OD1 3.11Å; H738-D743 VanDerWaalsContact N-CG 3.31Å; H738-D743 PolarHBondContact N-OD1 3.41Å; H738-D743 PolarHBondContact N-OD2 3.29Å; E741-D743 PolarHBondContact O-N 3.29Å; D743-H760 IonicContact OD2-CE1 2.69Å; D743-H760 IonicContact OD2-NE2 3.1Å; D743-H760 PolarHBondContact OD2-NE2 2.95Å; D743-H760 VanDerWaalsContact OD2-NE2 3.15Å; D743-Y761 CarbonylContact C-O 3.51Å; D743-Y761 WeakPolarHBondContact CA-O 3.43Å; D743-Y761 WeakPolarHBondContact CB-O 3.32Å; D743-H762 HydrophobicContact CB-CB 4.31Å
744	F	98.1	Very high	93.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.1	173.2	61.3	-82.9	0	0	0	111.9	T731 V732 D733 F742 L746 Y761 F775 Q776	T731-F744 HydrophobicContact CG2-CD2 4.25Å; V732-F744 WeakPolarHBondContact O-CA 3.33Å; V732-F744 WeakPolarHBondContact O-CB 3.05Å; D733-F744 HydrophobicContact CB-CB 3.76Å; F742-F744 HydrophobicContact CE1-CD1 4.42Å; F744-L746 HydrophobicContact CD2-CB 4.18Å; F744-L746 HydrophobicContact CE2-CB 4.09Å; F744-Y761 HydrophobicContact CD2-CD2 4.07Å; F744-Y761 HydrophobicContact CE1-CG 4.48Å; F744-Y761 AromaticContact CE2-CD2 3.58Å; F744-Y761 HydrophobicContact CE2-CD2 3.58Å; F744-Y761 HydrophobicContact CE2-CE2 4.36Å; F744-Y761 AromaticContact CE2-CG 3.86Å; F744-Y761 HydrophobicContact CE2-CG 3.86Å; F744-Y761 HydrophobicContact CZ-CD2 4.06Å; F744-Y761 AromaticContact CZ-CG 3.82Å; F744-Y761 HydrophobicContact CZ-CG 3.82Å; F744-Y761 PolarHBondContact N-O 2.85Å; F744-Y761 PolarHBondContact O-N 3.09Å; F744-F775 AromaticContact CE1-CD1 3.39Å; F744-F775 HydrophobicContact CE1-CD1 3.39Å; F744-F775 AromaticContact CE1-CE1 3.39Å; F744-F775 HydrophobicContact CE1-CE1 3.39Å; F744-F775 AromaticContact CZ-CD1 3.75Å; F744-F775 HydrophobicContact CZ-CD1 3.75Å; F744-F775 AromaticContact CZ-CE1 3.6Å; F744-F775 HydrophobicContact CZ-CE1 3.6Å; F744-F775 HydrophobicContact CZ-CZ 4.49Å; F744-Q776 HydrophobicContact CD1-CG 4.16Å; F744-Q776 HydrophobicContact CD2-CG 3.85Å; F744-Q776 HydrophobicContact CE1-CG 4.16Å; F744-Q776 HydrophobicContact CE2-CB 4.47Å; F744-Q776 HydrophobicContact CE2-CG 3.83Å; F744-Q776 HydrophobicContact CG-CG 4.01Å; F744-Q776 HydrophobicContact CZ-CG 3.99Å
745	Y	98.5	Very high	93.4	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.02	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136	169.4	-65.3	-88.3	0	0	0	109.9	H707 T709 T731 V732 I736 T737 P758 S759 H760	H707-Y745 AromaticContact CE1-CE1 3.8Å; H707-Y745 AromaticContact ND1-CE1 3.91Å; T709-Y745 HydrophobicContact CG2-CD1 4.45Å; T709-Y745 HydrophobicContact CG2-CE1 3.87Å; T709-Y745 HydrophobicContact CG2-CE2 4.35Å; T709-Y745 WeakPolarHBondContact OG1-CE1 3.46Å; T709-Y745 PolarHBondContact OG1-OH 2.96Å; T731-Y745 CarbonylContact C-O 3.58Å; T731-Y745 VanDerWaalsContact CA-O 3.23Å; T731-Y745 WeakPolarHBondContact CA-O 3.42Å; V732-Y745 PolarHBondContact N-O 3.5Å; V732-Y745 PolarHBondContact O-N 2.9Å; I736-Y745 HydrophobicContact CD1-CD2 4.29Å; I736-Y745 HydrophobicContact CD1-CE2 4.25Å; I736-Y745 HydrophobicContact CG1-CE2 4.4Å; T737-Y745 HydrophobicContact CG2-CD2 4.06Å; T737-Y745 HydrophobicContact CG2-CE2 4.17Å; Y745-P758 HydrophobicContact CD1-CG 4.4Å; Y745-S759 CarbonylContact C-O 3.49Å; Y745-S759 WeakPolarHBondContact CA-O 3.46Å; Y745-H760 HydrophobicContact CD1-CB 3.79Å; Y745-H760 AromaticContact CD1-CD2 3.9Å; Y745-H760 HydrophobicContact CE1-CB 3.6Å; Y745-H760 AromaticContact CE1-CD2 3.59Å; Y745-H760 AromaticContact CE1-CG 3.72Å; Y745-H760 AromaticContact CE2-CD2 3.77Å; Y745-H760 AromaticContact CZ-CD2 3.5Å; Y745-H760 AromaticContact CZ-CG 3.97Å; Y745-H760 AromaticContact CZ-NE2 3.98Å
746	L	98.6	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.7	171.7	164.3	67.5	0	0	0	109.9	L409 T731 F744 S748 S759 Y761 T779 Y780	L409-L746 HydrophobicContact CD1-CD1 4.21Å; T731-L746 VanDerWaalsContact OG1-CD1 3.29Å; T731-L746 WeakPolarHBondContact OG1-CD1 3.21Å; F744-L746 HydrophobicContact CD2-CB 4.18Å; F744-L746 HydrophobicContact CE2-CB 4.09Å; L746-S748 PolarHBondContact O-N 2.97Å; L746-S759 PolarHBondContact N-O 3.06Å; L746-S759 PolarHBondContact O-N 3.12Å; L746-S759 VanDerWaalsContact O-N 3.1Å; L746-Y761 HydrophobicContact CB-CD2 4.19Å; L746-Y761 HydrophobicContact CB-CE2 3.77Å; L746-Y761 HydrophobicContact CD2-CE2 4.3Å; L746-Y761 HydrophobicContact CG-CE2 4.42Å; L746-T779 HydrophobicContact CD2-CG2 3.86Å; L746-Y780 HydrophobicContact CD1-CD2 4.02Å; L746-Y780 HydrophobicContact CD1-CG 4.33Å; L746-Y780 HydrophobicContact CD2-CD2 4.27Å; L746-Y780 HydrophobicContact CD2-CG 4.48Å
747	C	98.4	Very high	93.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	78.7	168.5	-165.4	0	0	0	0	110.1	I726 A728 G729 T730 H749 P758	I726-C747 HydrophobicContact CD1-CB 3.51Å; I726-C747 HydrophobicContact CG1-CB 4.1Å; A728-C747 CarbonylContact C-O 3.45Å; A728-C747 WeakPolarHBondContact CA-O 3.38Å; G729-C747 PolarHBondContact N-O 2.88Å; T730-C747 PolarHBondContact O-N 3.22Å; C747-H749 PolarHBondContact O-N 3.21Å; C747-P758 HydrophobicContact CB-CB 3.92Å
748	S	98.1	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.			trans	-71.8	-10.9	-174.7	55	0	0	0	0	115.1	L746 Y780 C783 S792 V793 S794	L746-S748 PolarHBondContact O-N 2.97Å; S748-Y780 WeakPolarHBondContact O-CE2 3.41Å; S748-C783 VanDerWaalsContact CB-SG 3.58Å; S748-C783 PolarHBondContact OG-SG 2.84Å; S748-S792 WeakPolarHBondContact O-CB 3.18Å; S748-S792 PolarHBondContact O-OG 3.26Å; S748-V793 WeakPolarHBondContact CB-O 3.36Å; S748-V793 PolarHBondContact OG-O 3.37Å; S748-S794 VanDerWaalsContact OG-C 3.23Å; S748-S794 WeakPolarHBondContact OG-CA 3.37Å; S748-S794 PolarHBondContact OG-O 2.89Å
749	H	97.3	Very high	94.3	Very high	34 Å²	34	28.1 Å²	28.1	16%	0.157	14%	0.143	C	C	.	.	S	Bend	trans	-119.2	157.2	-168.9	63	-68.2	0	0	0	112.3	C747 R757 S792 S794	C747-H749 PolarHBondContact O-N 3.21Å; H749-R757 PolarHBondContact CE1-O 2.95Å; H749-S792 WeakPolarHBondContact CB-O 3.15Å; H749-S794 WeakPolarHBondContact ND1-CB 3.33Å
750	A	95.3	Very high	94.9	Very high	21 Å²	21	27.2 Å²	27.2	17%	0.174	14%	0.137	C	C	.	.			trans	-77.3	128.1	171.6	0	0	0	0	0	111.3	H428 I752	H428-A750 WeakPolarHBondContact O-CB 3.32Å; A750-I752 PolarHBondContact O-N 2.86Å; A750-I752 VanDerWaalsContact O-N 3.08Å
751	G	91.8	Very high	95.5	Very high	15 Å²	15	24.2 Å²	24.2	16%	0.155	13%	0.125	C	C	.	.			trans	-73.3	92.2	176.3	0	0	0	0	0	112.6	S723 S756	S723-G751 PolarHBondContact OG-O 3.26Å; G751-S756 WeakPolarHBondContact CA-OG 3.46Å
752	I	89.3	Confident	95.8	Very high	124 Å²	124	23.6 Å²	23.6	64%	0.636	12%	0.122	S	C	*	.			trans	-72.8	-41.9	-178.5	-55.9	175	0	0	0	111.7	A750 R791	A750-I752 PolarHBondContact O-N 2.86Å; A750-I752 VanDerWaalsContact O-N 3.08Å; I752-R791 VanDerWaalsContact CD1-NH2 3.34Å
753	Q	87.8	Confident	95.9	Very high	132 Å²	132	23.5 Å²	23.5	62%	0.617	12%	0.122	S	C	*	.	S	Bend	trans	-144.2	145	-175.4	-178.3	-178.9	-8.3	0	0	109.3
754	G	92.1	Very high	95.9	Very high	15 Å²	15	23.3 Å²	23.3	16%	0.155	12%	0.121	C	C	.	.	S	Bend	trans	72.1	-160.2	178.3	0	0	0	0	0	112.4	R366 N725	R366-G754 CarbonylContact O-C 3.54Å; R366-G754 WeakPolarHBondContact O-CA 3.48Å; N725-G754 PolarHBondContact ND2-O 2.73Å
755	T	95.1	Very high	95.9	Very high	19 Å²	19	25.6 Å²	25.6	12%	0.117	13%	0.129	C	C	.	.			trans	-95.9	131.7	169.3	-42.5	0	0	0	0	110.2	R366 S367 A368 R371 F712	R366-T755 PolarHBondContact O-N 2.88Å; R366-T755 PolarHBondContact O-OG1 3.11Å; S367-T755 PolarHBondContact O-OG1 2.84Å; A368-T755 HydrophobicContact CB-CG2 3.95Å; R371-T755 WeakPolarHBondContact CB-OG1 3.43Å; R371-T755 WeakPolarHBondContact CD-OG1 3.12Å; F712-T755 HydrophobicContact CD1-CG2 4.43Å; F712-T755 HydrophobicContact CE1-CG2 3.72Å; F712-T755 HydrophobicContact CZ-CG2 4.41Å
756	S	95.6	Very high	95.8	Very high	8 Å²	8	26.7 Å²	26.7	6%	0.056	14%	0.135	C	C	.	.			trans	-66.8	150.4	-179.4	-55.7	0	0	0	0	111	N725 G751	N725-S756 WeakPolarHBondContact OD1-CB 3.23Å; N725-S756 PolarHBondContact OD1-N 2.91Å; N725-S756 PolarHBondContact OD1-OG 2.95Å; G751-S756 WeakPolarHBondContact CA-OG 3.46Å
757	R	96.2	Very high	95.7	Very high	108 Å²	108	29.7 Å²	29.7	41%	0.408	15%	0.152	S	C	.	.			trans	-107.7	103.7	174.4	-64.1	-171.9	179.4	-174.9	-1.7	108.7	H749 S759	H749-R757 PolarHBondContact CE1-O 2.95Å; R757-S759 PolarHBondContact O-N 3.26Å
758	P	97.7	Very high	95.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.16	C	C	.	.			trans	-69.9	115.6	179.1	28.9	-32.9	0	0	0	108.9	H707 L711 Y745 C747 H760	H707-P758 PolarHBondContact CE1-O 2.85Å; H707-P758 PolarHBondContact NE2-O 3.28Å; L711-P758 HydrophobicContact CD1-CB 4.01Å; L711-P758 HydrophobicContact CD1-CG 3.92Å; L711-P758 HydrophobicContact CG-CG 4.08Å; Y745-P758 HydrophobicContact CD1-CG 4.4Å; C747-P758 HydrophobicContact CB-CB 3.92Å; P758-H760 PolarHBondContact O-N 3.15Å
759	S	98.1	Very high	95.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.9	-177.1	-64.5	0	0	0	0	110.8	Y745 L746 R757 Y761 S794 I795	Y745-S759 CarbonylContact C-O 3.49Å; Y745-S759 WeakPolarHBondContact CA-O 3.46Å; L746-S759 PolarHBondContact N-O 3.06Å; L746-S759 PolarHBondContact O-N 3.12Å; L746-S759 VanDerWaalsContact O-N 3.1Å; R757-S759 PolarHBondContact O-N 3.26Å; S759-Y761 WeakPolarHBondContact O-CD2 3.36Å; S759-Y761 WeakPolarHBondContact O-CE2 3.47Å; S759-S794 WeakPolarHBondContact CB-O 3.46Å; S759-S794 PolarHBondContact OG-O 2.89Å; S759-I795 WeakPolarHBondContact OG-CG2 3.48Å
760	H	97.9	Very high	95.2	Very high	2 Å²	2	35 Å²	35	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.5	178.9	-177.7	-131.5	0	0	0	109.6	V703 Q704 D743 Y745 P758	V703-H760 WeakPolarHBondContact CA-O 3.29Å; Q704-H760 HydrophobicContact CB-CB 4.21Å; Q704-H760 PolarHBondContact N-O 3.14Å; Q704-H760 PolarHBondContact O-N 3.24Å; Q704-H760 PolarHBondContact OE1-ND1 2.94Å; D743-H760 IonicContact OD2-CE1 2.69Å; D743-H760 IonicContact OD2-NE2 3.1Å; D743-H760 PolarHBondContact OD2-NE2 2.95Å; D743-H760 VanDerWaalsContact OD2-NE2 3.15Å; Y745-H760 HydrophobicContact CD1-CB 3.79Å; Y745-H760 AromaticContact CD1-CD2 3.9Å; Y745-H760 HydrophobicContact CE1-CB 3.6Å; Y745-H760 AromaticContact CE1-CD2 3.59Å; Y745-H760 AromaticContact CE1-CG 3.72Å; Y745-H760 AromaticContact CE2-CD2 3.77Å; Y745-H760 AromaticContact CZ-CD2 3.5Å; Y745-H760 AromaticContact CZ-CG 3.97Å; Y745-H760 AromaticContact CZ-NE2 3.98Å; P758-H760 PolarHBondContact O-N 3.15Å
761	Y	98.3	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.9	-179.7	-61	-93.2	0	0	0	108	Y663 I701 V702 V703 D743 F744 L746 S759 T779 P796	Y663-Y761 HydrophobicContact CD1-CE1 4.5Å; Y663-Y761 HydrophobicContact CE1-CD1 4.25Å; Y663-Y761 HydrophobicContact CE1-CE1 4.25Å; I701-Y761 HydrophobicContact CG2-CD1 4.26Å; V702-Y761 WeakPolarHBondContact O-CA 3.21Å; V703-Y761 HydrophobicContact CB-CD1 4.49Å; V703-Y761 HydrophobicContact CB-CE1 4.35Å; V703-Y761 HydrophobicContact CG1-CD1 4.28Å; V703-Y761 HydrophobicContact CG1-CE1 3.78Å; V703-Y761 HydrophobicContact CG2-CD1 3.82Å; V703-Y761 HydrophobicContact CG2-CE1 3.74Å; D743-Y761 CarbonylContact C-O 3.51Å; D743-Y761 WeakPolarHBondContact CA-O 3.43Å; D743-Y761 WeakPolarHBondContact CB-O 3.32Å; F744-Y761 HydrophobicContact CD2-CD2 4.07Å; F744-Y761 HydrophobicContact CE1-CG 4.48Å; F744-Y761 AromaticContact CE2-CD2 3.58Å; F744-Y761 HydrophobicContact CE2-CD2 3.58Å; F744-Y761 HydrophobicContact CE2-CE2 4.36Å; F744-Y761 AromaticContact CE2-CG 3.86Å; F744-Y761 HydrophobicContact CE2-CG 3.86Å; F744-Y761 HydrophobicContact CZ-CD2 4.06Å; F744-Y761 AromaticContact CZ-CG 3.82Å; F744-Y761 HydrophobicContact CZ-CG 3.82Å; F744-Y761 PolarHBondContact N-O 2.85Å; F744-Y761 PolarHBondContact O-N 3.09Å; L746-Y761 HydrophobicContact CB-CD2 4.19Å; L746-Y761 HydrophobicContact CB-CE2 3.77Å; L746-Y761 HydrophobicContact CD2-CE2 4.3Å; L746-Y761 HydrophobicContact CG-CE2 4.42Å; S759-Y761 WeakPolarHBondContact O-CD2 3.36Å; S759-Y761 WeakPolarHBondContact O-CE2 3.47Å; Y761-T779 HydrophobicContact CD1-CG2 3.76Å; Y761-T779 HydrophobicContact CD2-CG2 4.42Å; Y761-T779 HydrophobicContact CE1-CG2 3.26Å; Y761-T779 HydrophobicContact CE2-CG2 4.03Å; Y761-T779 HydrophobicContact CG-CG2 4.31Å; Y761-T779 VanDerWaalsContact CZ-CG2 3.41Å; Y761-P796 HydrophobicContact CE1-CG 3.99Å; Y761-P796 WeakPolarHBondContact OH-CD 3.42Å
762	H	97.2	Very high	95.5	Very high	4 Å²	4	37 Å²	37	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.3	178.6	-158.9	120.2	0	0	0	108.7	F672 I701 V702 E741 D743 L764	F672-H762 HydrophobicContact CE2-CB 4.08Å; F672-H762 AromaticContact CE2-CG 3.76Å; F672-H762 AromaticContact CE2-ND1 3.79Å; F672-H762 HydrophobicContact CZ-CB 4.29Å; I701-H762 WeakPolarHBondContact CA-O 3.45Å; V702-H762 PolarHBondContact N-O 3.14Å; V702-H762 PolarHBondContact O-N 3.45Å; E741-H762 IonicContact OE2-CE1 3.68Å; E741-H762 PolarHBondContact OE2-CE1 2.71Å; E741-H762 IonicContact OE2-NE2 2.75Å; E741-H762 PolarHBondContact OE2-NE2 2.92Å; D743-H762 HydrophobicContact CB-CB 4.31Å; H762-L764 PolarHBondContact O-N 3.03Å
763	V	97.3	Very high	95.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.6	-179.5	-174.8	0	0	0	0	108.2	P13 T699 I701 F742 D766 F775	P13-V763 WeakPolarHBondContact CD-O 3.17Å; P13-V763 HydrophobicContact CG-CB 4.43Å; P13-V763 HydrophobicContact CG-CG1 3.99Å; P13-V763 WeakPolarHBondContact CG-O 3.11Å; T699-V763 HydrophobicContact CG2-CG1 4.18Å; I701-V763 HydrophobicContact CG1-CG2 4.3Å; F742-V763 HydrophobicContact CB-CB 4.09Å; F742-V763 HydrophobicContact CB-CG2 4.47Å; F742-V763 HydrophobicContact CD1-CG2 4.49Å; F742-V763 HydrophobicContact CD2-CB 3.76Å; F742-V763 HydrophobicContact CD2-CG1 4.08Å; F742-V763 HydrophobicContact CD2-CG2 3.62Å; F742-V763 HydrophobicContact CE2-CB 4.46Å; F742-V763 HydrophobicContact CE2-CG2 3.9Å; F742-V763 HydrophobicContact CG-CB 4.06Å; F742-V763 HydrophobicContact CG-CG2 3.94Å; F742-V763 HydrophobicContact CZ-CG2 4.44Å; F742-V763 PolarHBondContact O-N 2.9Å; V763-D766 HydrophobicContact CG1-CB 3.97Å; V763-F775 HydrophobicContact CG2-CD1 3.92Å; V763-F775 HydrophobicContact CG2-CE1 3.54Å; V763-F775 HydrophobicContact CG2-CZ 4.33Å
764	L	95.8	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-21	-178	-58	-169.3	0	0	0	112.8	L12 P13 F672 L676 F700 V702 H762	L12-L764 HydrophobicContact CD2-CB 3.83Å; L12-L764 HydrophobicContact CD2-CD2 3.5Å; L12-L764 HydrophobicContact CD2-CG 4.21Å; P13-L764 VanDerWaalsContact CD-C 3.4Å; P13-L764 VanDerWaalsContact CD-O 3.22Å; P13-L764 WeakPolarHBondContact CD-O 3.25Å; F672-L764 HydrophobicContact CB-CD1 4.04Å; F672-L764 HydrophobicContact CB-CD2 4.1Å; F672-L764 HydrophobicContact CD1-CD1 4.45Å; F672-L764 HydrophobicContact CD2-CD2 3.62Å; F672-L764 HydrophobicContact CE2-CD2 4.15Å; F672-L764 HydrophobicContact CG-CD1 4.17Å; F672-L764 HydrophobicContact CG-CD2 3.91Å; L676-L764 HydrophobicContact CB-CD1 4.19Å; L676-L764 HydrophobicContact CD1-CB 3.85Å; L676-L764 HydrophobicContact CD2-CB 4.11Å; L676-L764 WeakPolarHBondContact CD2-O 3.13Å; L676-L764 HydrophobicContact CG-CB 4.38Å; F700-L764 HydrophobicContact CD1-CB 4.05Å; F700-L764 HydrophobicContact CD1-CD1 4.09Å; F700-L764 HydrophobicContact CD1-CG 4.3Å; F700-L764 HydrophobicContact CE1-CD1 4.06Å; F700-L764 PolarHBondContact O-N 3.2Å; V702-L764 HydrophobicContact CG2-CD1 3.44Å; V702-L764 VanDerWaalsContact CG2-CD1 3.44Å; V702-L764 HydrophobicContact CG2-CG 3.96Å; H762-L764 PolarHBondContact O-N 3.03Å
765	W	97.3	Very high	96.3	Very high	48 Å²	48	27.4 Å²	27.4	18%	0.182	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	142.7	177.3	-169.1	-96.7	0	0	0	109.8	F10 L676 L680 T699 F700 D767	F10-W765 HydrophobicContact CB-CE3 4.48Å; F10-W765 HydrophobicContact CB-CZ3 4.24Å; F10-W765 HydrophobicContact CD1-CE3 4.27Å; F10-W765 HydrophobicContact CD1-CH2 4.1Å; F10-W765 AromaticContact CD1-CZ3 3.81Å; F10-W765 HydrophobicContact CD1-CZ3 3.81Å; L676-W765 HydrophobicContact CD1-CB 3.99Å; L680-W765 HydrophobicContact CD1-CG 4.19Å; L680-W765 HydrophobicContact CD2-CB 4.27Å; L680-W765 HydrophobicContact CD2-CD2 3.62Å; L680-W765 HydrophobicContact CD2-CE3 4.05Å; L680-W765 HydrophobicContact CD2-CG 3.7Å; T699-W765 CarbonylContact C-O 3.57Å; T699-W765 WeakPolarHBondContact CA-O 3.37Å; F700-W765 HydrophobicContact CB-CB 3.85Å; F700-W765 PolarHBondContact N-O 3.1Å; F700-W765 PolarHBondContact O-N 3.23Å; W765-D767 PolarHBondContact NE1-OD1 2.88Å; W765-D767 PolarHBondContact NE1-OD2 2.84Å; W765-D767 VanDerWaalsContact NE1-OD2 3.09Å
766	D	96.8	Very high	96.4	Very high	28 Å²	28	26.5 Å²	26.5	15%	0.15	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	96.3	177.4	-171	23	0	0	0	113.1	T699 V763 N768 C769 F770	T699-D766 HydrophobicContact CG2-CB 4.08Å; T699-D766 WeakPolarHBondContact CG2-OD1 3.43Å; T699-D766 PolarHBondContact OG1-OD1 2.85Å; V763-D766 HydrophobicContact CG1-CB 3.97Å; D766-N768 VanDerWaalsContact C-N 3.26Å; D766-N768 WeakPolarHBondContact OD1-CB 3.45Å; D766-N768 PolarHBondContact OD1-N 2.95Å; D766-C769 PolarHBondContact OD1-N 2.94Å; D766-C769 PolarHBondContact OD2-N 3.41Å; D766-F770 WeakPolarHBondContact OD1-CD2 3.4Å; D766-F770 PolarHBondContact OD2-N 3Å
767	D	96.5	Very high	96.5	Very high	64 Å²	64	27.4 Å²	27.4	34%	0.342	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.7	170.6	-59.6	-46.2	0	0	0	112.2	R684 I698 W765	R684-D767 IonicContact NH2-OD1 3.9Å; R684-D767 IonicContact NH2-OD2 3.73Å; I698-D767 PolarHBondContact N-OD2 3.49Å; I698-D767 PolarHBondContact O-N 2.98Å; W765-D767 PolarHBondContact NE1-OD1 2.88Å; W765-D767 PolarHBondContact NE1-OD2 2.84Å; W765-D767 VanDerWaalsContact NE1-OD2 3.09Å
768	N	94.9	Very high	96.5	Very high	33 Å²	33	22.3 Å²	22.3	18%	0.176	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.2	-173.3	-64.9	-59.4	0	0	0	113.5	R659 G697 T699 D766 F770	R659-N768 VanDerWaalsContact CD-OD1 3.25Å; R659-N768 WeakPolarHBondContact CD-OD1 3.33Å; R659-N768 VanDerWaalsContact CG-OD1 3.22Å; R659-N768 WeakPolarHBondContact CG-OD1 3.38Å; R659-N768 PolarHBondContact NE-OD1 3.32Å; G697-N768 PolarHBondContact O-ND2 2.91Å; T699-N768 PolarHBondContact OG1-ND2 3.28Å; D766-N768 VanDerWaalsContact C-N 3.26Å; D766-N768 WeakPolarHBondContact OD1-CB 3.45Å; D766-N768 PolarHBondContact OD1-N 2.95Å; N768-F770 HydrophobicContact CB-CD2 3.93Å; N768-F770 HydrophobicContact CB-CE2 3.69Å; N768-F770 PolarHBondContact O-N 3.08Å
769	C	94.2	Very high	96.5	Very high	109 Å²	109	22.2 Å²	22.2	74%	0.736	12%	0.124	S	C	*	.			trans	50.8	49	176.3	-56.4	0	0	0	0	113.5	D766	D766-C769 PolarHBondContact OD1-N 2.94Å; D766-C769 PolarHBondContact OD2-N 3.41Å
770	F	95.1	Very high	96.5	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.018	13%	0.125	C	C	.	.			trans	-62.2	141.2	178.8	-80.9	-80.7	0	0	0	111.9	P16 V582 I661 T699 D766 N768 E774 F775 L778	P16-F770 VanDerWaalsContact CG-O 3.27Å; P16-F770 WeakPolarHBondContact CG-O 3.44Å; V582-F770 HydrophobicContact CB-CE1 4.13Å; V582-F770 HydrophobicContact CB-CZ 4.29Å; V582-F770 HydrophobicContact CG2-CE1 4.05Å; V582-F770 HydrophobicContact CG2-CZ 3.71Å; I661-F770 HydrophobicContact CD1-CE2 3.59Å; I661-F770 HydrophobicContact CD1-CZ 3.75Å; T699-F770 HydrophobicContact CG2-CD2 4.04Å; T699-F770 HydrophobicContact CG2-CE2 4.17Å; T699-F770 WeakPolarHBondContact OG1-CE2 3.45Å; D766-F770 WeakPolarHBondContact OD1-CD2 3.4Å; D766-F770 PolarHBondContact OD2-N 3Å; N768-F770 HydrophobicContact CB-CD2 3.93Å; N768-F770 HydrophobicContact CB-CE2 3.69Å; N768-F770 PolarHBondContact O-N 3.08Å; F770-E774 HydrophobicContact CD1-CB 4.25Å; F770-E774 HydrophobicContact CD1-CG 3.99Å; F770-E774 HydrophobicContact CE1-CG 4.23Å; F770-F775 HydrophobicContact CB-CB 3.95Å; F770-F775 HydrophobicContact CD1-CB 4.23Å; F770-F775 HydrophobicContact CD1-CD2 4.5Å; F770-F775 HydrophobicContact CG-CB 4.19Å; F770-F775 HydrophobicContact CG-CD2 4.36Å; F770-L778 HydrophobicContact CE1-CD2 3.92Å; F770-L778 HydrophobicContact CZ-CD2 3.94Å
771	T	96.5	Very high	96.5	Very high	75 Å²	75	23 Å²	23	46%	0.46	13%	0.128	S	C	.	.			trans	-75.7	158.9	161.9	66.9	0	0	0	0	110.4	D773 E774 F775	T771-D773 VanDerWaalsContact C-N 3.32Å; T771-D773 PolarHBondContact O-N 3.14Å; T771-E774 PolarHBondContact O-N 2.99Å; T771-E774 VanDerWaalsContact OG1-CB 3.25Å; T771-E774 WeakPolarHBondContact OG1-CB 3.44Å; T771-E774 PolarHBondContact OG1-N 3.28Å; T771-E774 VanDerWaalsContact OG1-N 3.15Å; T771-F775 WeakPolarHBondContact O-CB 3.46Å; T771-F775 PolarHBondContact O-N 3.4Å
772	A	96.4	Very high	96.5	Very high	3 Å²	3	23 Å²	23	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-57	-45.6	175.4	0	0	0	0	0	111.9	G17 F742 Q776	G17-A772 WeakPolarHBondContact O-CB 3.15Å; F742-A772 HydrophobicContact CE1-CB 4.28Å; A772-Q776 VanDerWaalsContact O-CB 3.22Å; A772-Q776 WeakPolarHBondContact O-CB 3.34Å; A772-Q776 WeakPolarHBondContact O-CG 3.31Å; A772-Q776 PolarHBondContact O-N 2.82Å
773	D	96.1	Very high	96.6	Very high	23 Å²	23	22.9 Å²	22.9	12%	0.123	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-48.5	179.2	-83.5	-41.3	0	0	0	113	G19 S20 I21 R407 T771 F775 Q776 L777	G19-D773 WeakPolarHBondContact CA-OD1 3.2Å; S20-D773 PolarHBondContact N-OD1 2.87Å; S20-D773 PolarHBondContact N-OD2 3.2Å; S20-D773 PolarHBondContact OG-OD2 3.38Å; I21-D773 WeakPolarHBondContact CB-OD1 3.46Å; I21-D773 HydrophobicContact CD1-CB 3.89Å; I21-D773 HydrophobicContact CG1-CB 4.23Å; I21-D773 PolarHBondContact N-OD1 2.74Å; R407-D773 IonicContact NH1-OD1 3.91Å; T771-D773 VanDerWaalsContact C-N 3.32Å; T771-D773 PolarHBondContact O-N 3.14Å; D773-F775 VanDerWaalsContact C-N 3.29Å; D773-F775 PolarHBondContact O-N 3.35Å; D773-Q776 PolarHBondContact O-N 3.04Å; D773-L777 WeakPolarHBondContact O-CB 3.42Å; D773-L777 WeakPolarHBondContact O-CG 3.43Å; D773-L777 PolarHBondContact O-N 3.14Å
774	E	94.6	Very high	96.6	Very high	44 Å²	44	22.9 Å²	22.9	21%	0.206	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-43.9	-179.3	-169.6	178	-171	0	0	110.8	P580 S581 V582 F770 T771 L778	P580-E774 HydrophobicContact CB-CG 3.89Å; S581-E774 PolarHBondContact OG-OE1 3.25Å; V582-E774 PolarHBondContact N-OE1 3.25Å; F770-E774 HydrophobicContact CD1-CB 4.25Å; F770-E774 HydrophobicContact CD1-CG 3.99Å; F770-E774 HydrophobicContact CE1-CG 4.23Å; T771-E774 PolarHBondContact O-N 2.99Å; T771-E774 VanDerWaalsContact OG1-CB 3.25Å; T771-E774 WeakPolarHBondContact OG1-CB 3.44Å; T771-E774 PolarHBondContact OG1-N 3.28Å; T771-E774 VanDerWaalsContact OG1-N 3.15Å; E774-L778 VanDerWaalsContact O-CB 3.26Å; E774-L778 WeakPolarHBondContact O-CB 3.44Å; E774-L778 PolarHBondContact O-N 2.83Å
775	F	95.1	Very high	96.7	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-70.3	-46.1	-178.8	-172.1	-125	0	0	0	112.6	Y663 I701 F742 F744 V763 F770 T771 D773 L777 L778 T779	Y663-F775 HydrophobicContact CE1-CZ 4.25Å; I701-F775 HydrophobicContact CB-CZ 4.19Å; I701-F775 HydrophobicContact CD1-CE2 3.73Å; I701-F775 HydrophobicContact CD1-CZ 3.67Å; I701-F775 HydrophobicContact CG1-CE1 4.14Å; I701-F775 HydrophobicContact CG1-CE2 3.98Å; I701-F775 HydrophobicContact CG1-CZ 3.42Å; I701-F775 VanDerWaalsContact CG1-CZ 3.42Å; I701-F775 HydrophobicContact CG2-CE1 4.22Å; I701-F775 HydrophobicContact CG2-CZ 3.86Å; F742-F775 HydrophobicContact CE2-CD1 4.36Å; F742-F775 HydrophobicContact CZ-CB 4.23Å; F742-F775 AromaticContact CZ-CD1 3.99Å; F742-F775 HydrophobicContact CZ-CD1 3.99Å; F742-F775 HydrophobicContact CZ-CG 4.49Å; F744-F775 AromaticContact CE1-CD1 3.39Å; F744-F775 HydrophobicContact CE1-CD1 3.39Å; F744-F775 AromaticContact CE1-CE1 3.39Å; F744-F775 HydrophobicContact CE1-CE1 3.39Å; F744-F775 AromaticContact CZ-CD1 3.75Å; F744-F775 HydrophobicContact CZ-CD1 3.75Å; F744-F775 AromaticContact CZ-CE1 3.6Å; F744-F775 HydrophobicContact CZ-CE1 3.6Å; F744-F775 HydrophobicContact CZ-CZ 4.49Å; V763-F775 HydrophobicContact CG2-CD1 3.92Å; V763-F775 HydrophobicContact CG2-CE1 3.54Å; V763-F775 HydrophobicContact CG2-CZ 4.33Å; F770-F775 HydrophobicContact CB-CB 3.95Å; F770-F775 HydrophobicContact CD1-CB 4.23Å; F770-F775 HydrophobicContact CD1-CD2 4.5Å; F770-F775 HydrophobicContact CG-CB 4.19Å; F770-F775 HydrophobicContact CG-CD2 4.36Å; T771-F775 WeakPolarHBondContact O-CB 3.46Å; T771-F775 PolarHBondContact O-N 3.4Å; D773-F775 VanDerWaalsContact C-N 3.29Å; D773-F775 PolarHBondContact O-N 3.35Å; F775-L777 VanDerWaalsContact C-N 3.34Å; F775-L777 PolarHBondContact O-N 2.9Å; F775-L778 HydrophobicContact CD2-CD2 4.48Å; F775-L778 WeakPolarHBondContact O-CB 3.46Å; F775-L778 PolarHBondContact O-N 3.19Å; F775-T779 PolarHBondContact O-N 3.33Å; F775-T779 PolarHBondContact O-OG1 3.39Å; F775-T779 VanDerWaalsContact O-OG1 3.08Å
776	Q	97.9	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-43.3	178.4	-72.5	164	12.9	0	0	111.6	L409 T731 D733 F744 A772 D773 Y780	L409-Q776 HydrophobicContact CD1-CB 4.11Å; T731-Q776 HydrophobicContact CG2-CG 4.12Å; D733-Q776 PolarHBondContact OD2-NE2 3.04Å; F744-Q776 HydrophobicContact CD1-CG 4.16Å; F744-Q776 HydrophobicContact CD2-CG 3.85Å; F744-Q776 HydrophobicContact CE1-CG 4.16Å; F744-Q776 HydrophobicContact CE2-CB 4.47Å; F744-Q776 HydrophobicContact CE2-CG 3.83Å; F744-Q776 HydrophobicContact CG-CG 4.01Å; F744-Q776 HydrophobicContact CZ-CG 3.99Å; A772-Q776 VanDerWaalsContact O-CB 3.22Å; A772-Q776 WeakPolarHBondContact O-CB 3.34Å; A772-Q776 WeakPolarHBondContact O-CG 3.31Å; A772-Q776 PolarHBondContact O-N 2.82Å; D773-Q776 PolarHBondContact O-N 3.04Å; Q776-Y780 WeakPolarHBondContact O-CB 3.42Å; Q776-Y780 PolarHBondContact O-N 2.9Å
777	L	96.4	Very high	96.8	Very high	28 Å²	28	20.4 Å²	20.4	15%	0.147	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-47.9	174.5	-75.7	173.9	0	0	0	111.5	I21 L409 P410 D773 F775 T779 Y780 Q781	I21-L777 HydrophobicContact CD1-CD1 3.61Å; I21-L777 HydrophobicContact CG2-CD1 4.33Å; I21-L777 HydrophobicContact CG2-CD2 4.33Å; L409-L777 HydrophobicContact CB-CD2 4.42Å; L409-L777 HydrophobicContact CD2-CD2 4.25Å; P410-L777 HydrophobicContact CG-CD2 4.1Å; D773-L777 WeakPolarHBondContact O-CB 3.42Å; D773-L777 WeakPolarHBondContact O-CG 3.43Å; D773-L777 PolarHBondContact O-N 3.14Å; F775-L777 VanDerWaalsContact C-N 3.34Å; F775-L777 PolarHBondContact O-N 2.9Å; L777-T779 VanDerWaalsContact C-N 3.34Å; L777-T779 PolarHBondContact O-N 3.49Å; L777-Y780 PolarHBondContact O-N 3.44Å; L777-Y780 VanDerWaalsContact O-N 3.12Å; L777-Q781 VanDerWaalsContact O-CG 3.29Å; L777-Q781 WeakPolarHBondContact O-CG 3.1Å; L777-Q781 PolarHBondContact O-N 3.02Å
778	L	96.9	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.4	-49.3	177.6	176.2	63.7	0	0	0	111.5	P580 V582 F583 F589 F770 E774 F775 Y780 Q781 L782	P580-L778 HydrophobicContact CG-CB 4.21Å; P580-L778 HydrophobicContact CG-CD1 4.43Å; V582-L778 HydrophobicContact CG1-CD1 4.29Å; V582-L778 HydrophobicContact CG1-CD2 4.26Å; F583-L778 HydrophobicContact CE2-CD1 3.57Å; F583-L778 HydrophobicContact CZ-CD1 3.9Å; F589-L778 HydrophobicContact CE1-CD1 3.87Å; F589-L778 HydrophobicContact CE1-CD2 4.15Å; F589-L778 HydrophobicContact CE1-CG 4.33Å; F589-L778 HydrophobicContact CZ-CD1 3.98Å; F770-L778 HydrophobicContact CE1-CD2 3.92Å; F770-L778 HydrophobicContact CZ-CD2 3.94Å; E774-L778 VanDerWaalsContact O-CB 3.26Å; E774-L778 WeakPolarHBondContact O-CB 3.44Å; E774-L778 PolarHBondContact O-N 2.83Å; F775-L778 HydrophobicContact CD2-CD2 4.48Å; F775-L778 WeakPolarHBondContact O-CB 3.46Å; F775-L778 PolarHBondContact O-N 3.19Å; L778-Y780 VanDerWaalsContact C-N 3.32Å; L778-Y780 PolarHBondContact O-N 2.91Å; L778-Q781 PolarHBondContact O-N 3.15Å; L778-L782 HydrophobicContact CD1-CD1 4.42Å; L778-L782 HydrophobicContact CD1-CG 4.48Å; L778-L782 HydrophobicContact CG-CD1 4.37Å; L778-L782 WeakPolarHBondContact O-CG 3.47Å; L778-L782 PolarHBondContact O-N 3.29Å
779	T	98.2	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-44.5	176.7	-59.4	0	0	0	0	111.1	Y663 L746 Y761 F775 L777 L782 C783 P796	Y663-T779 HydrophobicContact CE1-CG2 4.16Å; Y663-T779 PolarHBondContact OH-OG1 3.34Å; L746-T779 HydrophobicContact CD2-CG2 3.86Å; Y761-T779 HydrophobicContact CD1-CG2 3.76Å; Y761-T779 HydrophobicContact CD2-CG2 4.42Å; Y761-T779 HydrophobicContact CE1-CG2 3.26Å; Y761-T779 HydrophobicContact CE2-CG2 4.03Å; Y761-T779 HydrophobicContact CG-CG2 4.31Å; Y761-T779 VanDerWaalsContact CZ-CG2 3.41Å; F775-T779 PolarHBondContact O-N 3.33Å; F775-T779 PolarHBondContact O-OG1 3.39Å; F775-T779 VanDerWaalsContact O-OG1 3.08Å; L777-T779 VanDerWaalsContact C-N 3.34Å; L777-T779 PolarHBondContact O-N 3.49Å; T779-L782 PolarHBondContact O-N 3.42Å; T779-C783 PolarHBondContact O-N 2.96Å; T779-C783 PolarHBondContact O-SG 2.92Å; T779-C783 VanDerWaalsContact O-SG 3.4Å; T779-P796 HydrophobicContact CG2-CG 3.89Å
780	Y	98.2	Very high	96.9	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-38.3	178.9	-170.9	-138.6	0	0	0	112.5	L409 A411 A728 G729 L746 S748 Q776 L777 L778 C783 H784	L409-Y780 HydrophobicContact CB-CD1 3.71Å; L409-Y780 HydrophobicContact CB-CE1 4.04Å; L409-Y780 HydrophobicContact CB-CG 4.49Å; L409-Y780 HydrophobicContact CD1-CD1 4.32Å; L409-Y780 HydrophobicContact CD1-CG 4.37Å; A411-Y780 HydrophobicContact CB-CE1 4.27Å; A728-Y780 PolarHBondContact O-OH 3.07Å; G729-Y780 VanDerWaalsContact CA-CZ 3.41Å; G729-Y780 PolarHBondContact N-OH 2.94Å; L746-Y780 HydrophobicContact CD1-CD2 4.02Å; L746-Y780 HydrophobicContact CD1-CG 4.33Å; L746-Y780 HydrophobicContact CD2-CD2 4.27Å; L746-Y780 HydrophobicContact CD2-CG 4.48Å; S748-Y780 WeakPolarHBondContact O-CE2 3.41Å; Q776-Y780 WeakPolarHBondContact O-CB 3.42Å; Q776-Y780 PolarHBondContact O-N 2.9Å; L777-Y780 PolarHBondContact O-N 3.44Å; L777-Y780 VanDerWaalsContact O-N 3.12Å; L778-Y780 VanDerWaalsContact C-N 3.32Å; L778-Y780 PolarHBondContact O-N 2.91Å; Y780-C783 WeakPolarHBondContact O-CB 3.46Å; Y780-C783 PolarHBondContact O-N 3.19Å; Y780-C783 VanDerWaalsContact O-N 3.17Å; Y780-H784 AromaticContact CD2-CE1 3.85Å; Y780-H784 AromaticContact CE1-CE1 3.93Å; Y780-H784 AromaticContact CE2-CE1 3.47Å; Y780-H784 VanDerWaalsContact CE2-CE1 3.47Å; Y780-H784 WeakPolarHBondContact CE2-CE1 3.44Å; Y780-H784 AromaticContact CZ-CE1 3.52Å; Y780-H784 PolarHBondContact O-CE1 2.9Å; Y780-H784 PolarHBondContact O-ND1 2.9Å
781	Q	97.6	Very high	96.9	Very high	15 Å²	15	20 Å²	20	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-42.1	175.9	-69.7	-172	-3.3	0	0	112.1	P412 L574 Q578 L777 L778 C783 H784	P412-Q781 HydrophobicContact CB-CG 3.95Å; P412-Q781 HydrophobicContact CG-CB 4.4Å; P412-Q781 HydrophobicContact CG-CG 4.07Å; L574-Q781 HydrophobicContact CD1-CB 3.92Å; L574-Q781 HydrophobicContact CD2-CB 4.12Å; Q578-Q781 PolarHBondContact O-NE2 2.88Å; L777-Q781 VanDerWaalsContact O-CG 3.29Å; L777-Q781 WeakPolarHBondContact O-CG 3.1Å; L777-Q781 PolarHBondContact O-N 3.02Å; L778-Q781 PolarHBondContact O-N 3.15Å; Q781-C783 PolarHBondContact O-N 2.94Å; Q781-H784 WeakPolarHBondContact O-CB 3.28Å; Q781-H784 PolarHBondContact O-N 3.43Å
782	L	98.3	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.7	-17.9	176.2	-66.6	173.3	0	0	0	113.5	F589 P618 Y663 L778 T779 H784 T785 P796 A797	F589-L782 HydrophobicContact CD1-CD1 3.69Å; F589-L782 HydrophobicContact CD1-CD2 4.29Å; F589-L782 HydrophobicContact CE1-CD1 3.89Å; F589-L782 HydrophobicContact CE1-CD2 4.41Å; F589-L782 HydrophobicContact CG-CD1 4.48Å; F589-L782 HydrophobicContact CG-CD2 4.42Å; P618-L782 HydrophobicContact CG-CD2 3.96Å; Y663-L782 HydrophobicContact CD2-CD1 4.49Å; Y663-L782 HydrophobicContact CE2-CD1 3.52Å; L778-L782 HydrophobicContact CD1-CD1 4.42Å; L778-L782 HydrophobicContact CD1-CG 4.48Å; L778-L782 HydrophobicContact CG-CD1 4.37Å; L778-L782 WeakPolarHBondContact O-CG 3.47Å; L778-L782 PolarHBondContact O-N 3.29Å; T779-L782 PolarHBondContact O-N 3.42Å; L782-H784 PolarHBondContact O-N 2.9Å; L782-T785 PolarHBondContact O-OG1 3.13Å; L782-T785 VanDerWaalsContact O-OG1 3.07Å; L782-P796 HydrophobicContact CB-CB 3.87Å; L782-A797 WeakPolarHBondContact O-CB 3.36Å; L782-A797 PolarHBondContact O-N 3.12Å
783	C	98.3	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.8	170.1	-68	0	0	0	0	113.1	S748 T779 Y780 Q781 S792 V793	S748-C783 VanDerWaalsContact CB-SG 3.58Å; S748-C783 PolarHBondContact OG-SG 2.84Å; T779-C783 PolarHBondContact O-N 2.96Å; T779-C783 PolarHBondContact O-SG 2.92Å; T779-C783 VanDerWaalsContact O-SG 3.4Å; Y780-C783 WeakPolarHBondContact O-CB 3.46Å; Y780-C783 PolarHBondContact O-N 3.19Å; Y780-C783 VanDerWaalsContact O-N 3.17Å; Q781-C783 PolarHBondContact O-N 2.94Å; C783-S792 WeakPolarHBondContact O-CA 3.5Å; C783-V793 WeakPolarHBondContact CB-O 3.46Å; C783-V793 VanDerWaalsContact O-CG2 3.26Å; C783-V793 WeakPolarHBondContact O-CG2 3.47Å; C783-V793 PolarHBondContact O-N 2.84Å
784	H	98.1	Very high	97.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.076	C	C	.	.	S	Bend	trans	-98.8	-10.1	179	-63.6	76	0	0	0	113.5	P412 L414 W431 Y780 Q781 L782 Y786 S792	P412-H784 HydrophobicContact CG-CB 3.94Å; L414-H784 HydrophobicContact CD2-CB 4.24Å; W431-H784 HydrophobicContact CH2-CB 4.3Å; W431-H784 AromaticContact CZ3-CD2 3.72Å; Y780-H784 AromaticContact CD2-CE1 3.85Å; Y780-H784 AromaticContact CE1-CE1 3.93Å; Y780-H784 AromaticContact CE2-CE1 3.47Å; Y780-H784 VanDerWaalsContact CE2-CE1 3.47Å; Y780-H784 WeakPolarHBondContact CE2-CE1 3.44Å; Y780-H784 AromaticContact CZ-CE1 3.52Å; Y780-H784 PolarHBondContact O-CE1 2.9Å; Y780-H784 PolarHBondContact O-ND1 2.9Å; Q781-H784 WeakPolarHBondContact O-CB 3.28Å; Q781-H784 PolarHBondContact O-N 3.43Å; L782-H784 PolarHBondContact O-N 2.9Å; H784-Y786 VanDerWaalsContact C-N 3.29Å; H784-Y786 PolarHBondContact O-N 3.49Å; H784-S792 PolarHBondContact CE1-OG 2.81Å; H784-S792 WeakPolarHBondContact NE2-CB 3.28Å
785	T	97.6	Very high	97.3	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.031	7%	0.069	C	C	.	.			trans	-86.7	2.7	-179.9	60.7	0	0	0	0	113.3	L574 L782 V787 A797 Y801	L574-T785 HydrophobicContact CD1-CG2 3.8Å; L574-T785 HydrophobicContact CD2-CG2 4.06Å; L574-T785 HydrophobicContact CG-CG2 3.71Å; L782-T785 PolarHBondContact O-OG1 3.13Å; L782-T785 VanDerWaalsContact O-OG1 3.07Å; T785-V787 PolarHBondContact O-N 2.89Å; T785-V787 VanDerWaalsContact O-N 3.11Å; T785-A797 VanDerWaalsContact OG1-CB 3.31Å; T785-A797 WeakPolarHBondContact OG1-CB 3.26Å; T785-Y801 PolarHBondContact O-OH 2.83Å
786	Y	98.1	Very high	97.4	Very high	14 Å²	14	14.6 Å²	14.6	6%	0.055	7%	0.068	C	C	.	.			trans	-72.9	106.1	-179.1	-178.5	-109	0	0	0	112.4	H784 R788 V793 Y800 Y801 L804	H784-Y786 VanDerWaalsContact C-N 3.29Å; H784-Y786 PolarHBondContact O-N 3.49Å; Y786-R788 VanDerWaalsContact C-N 3.29Å; Y786-R788 HydrophobicContact CD1-CB 4.21Å; Y786-R788 HydrophobicContact CE1-CB 3.59Å; Y786-R788 HydrophobicContact CE1-CG 4.25Å; Y786-R788 HydrophobicContact CE2-CG 4.46Å; Y786-R788 PolarHBondContact O-N 3.22Å; Y786-R788 WeakPolarHBondContact OH-CD 3.37Å; Y786-V793 HydrophobicContact CD1-CG1 3.42Å; Y786-V793 VanDerWaalsContact CD1-CG1 3.42Å; Y786-V793 HydrophobicContact CD1-CG2 4.39Å; Y786-V793 HydrophobicContact CE1-CG1 3.93Å; Y786-V793 HydrophobicContact CG-CG1 3.96Å; Y786-V793 HydrophobicContact CG-CG2 4.07Å; Y786-Y800 HydrophobicContact CD2-CG 4.28Å; Y786-Y800 AromaticContact CE2-CD1 3.77Å; Y786-Y800 HydrophobicContact CE2-CD1 3.77Å; Y786-Y800 HydrophobicContact CE2-CE1 4.46Å; Y786-Y800 AromaticContact CE2-CG 3.85Å; Y786-Y800 HydrophobicContact CE2-CG 3.85Å; Y786-Y800 AromaticContact CZ-CD1 3.84Å; Y786-Y800 WeakPolarHBondContact OH-CE1 3.46Å; Y786-Y801 HydrophobicContact CD2-CD1 4.04Å; Y786-Y801 AromaticContact CD2-CE1 3.38Å; Y786-Y801 HydrophobicContact CD2-CE1 3.38Å; Y786-Y801 AromaticContact CD2-CZ 3.84Å; Y786-Y801 AromaticContact CE2-CD1 3.89Å; Y786-Y801 HydrophobicContact CE2-CD1 3.89Å; Y786-Y801 AromaticContact CE2-CE1 3.52Å; Y786-Y801 HydrophobicContact CE2-CE1 3.52Å; Y786-L804 HydrophobicContact CE2-CD1 4.25Å
787	V	96.8	Very high	97.4	Very high	6 Å²	6	14.6 Å²	14.6	4%	0.036	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.2	-169.3	-59.7	0	0	0	0	118	L561 V565 N571 T785 Y801 M855	L561-V787 WeakPolarHBondContact CB-O 3.32Å; V565-V787 HydrophobicContact CB-CG2 4.36Å; V565-V787 HydrophobicContact CG1-CG2 3.98Å; V565-V787 HydrophobicContact CG2-CB 3.69Å; V565-V787 HydrophobicContact CG2-CG1 3.98Å; V565-V787 HydrophobicContact CG2-CG2 3.81Å; N571-V787 PolarHBondContact ND2-O 3.41Å; N571-V787 VanDerWaalsContact ND2-O 3.11Å; T785-V787 PolarHBondContact O-N 2.89Å; T785-V787 VanDerWaalsContact O-N 3.11Å; V787-Y801 WeakPolarHBondContact CG1-OH 3.38Å; V787-Y801 HydrophobicContact CG2-CE1 4.16Å; V787-Y801 VanDerWaalsContact CG2-OH 3.27Å; V787-Y801 WeakPolarHBondContact CG2-OH 3.49Å; V787-Y801 PolarHBondContact N-OH 3.41Å; V787-M855 HydrophobicContact CG2-CE 4.25Å
788	R	96.1	Very high	97.5	Very high	80 Å²	80	13.3 Å²	13.3	30%	0.302	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.1	-172.9	-64.7	-178.5	58.5	173.8	-0.1	114.6	K562 Y786 A858	K562-R788 HydrophobicContact CG-CG 4.33Å; Y786-R788 VanDerWaalsContact C-N 3.29Å; Y786-R788 HydrophobicContact CD1-CB 4.21Å; Y786-R788 HydrophobicContact CE1-CB 3.59Å; Y786-R788 HydrophobicContact CE1-CG 4.25Å; Y786-R788 HydrophobicContact CE2-CG 4.46Å; Y786-R788 PolarHBondContact O-N 3.22Å; Y786-R788 WeakPolarHBondContact OH-CD 3.37Å; R788-A858 WeakPolarHBondContact CD-OXT 3.45Å; R788-A858 WeakPolarHBondContact CG-OXT 3.34Å; R788-A858 PolarHBondContact NE-OXT 3.38Å
789	C	95.6	Very high	97.5	Very high	28 Å²	28	13.3 Å²	13.3	19%	0.189	6%	0.061	C	C	.	.	S	Bend	trans	-154.8	159.8	176.6	57.2	0	0	0	0	111.1	R791	C789-R791 HydrophobicContact CB-CG 4.45Å; C789-R791 PolarHBondContact O-N 3.16Å
790	T	96.1	Very high	97.5	Very high	12 Å²	12	16.2 Å²	16.2	7%	0.074	7%	0.073	C	C	.	.	S	Bend	trans	-89.9	55	171.4	53.4	0	0	0	0	111.4	W431 M433	W431-T790 VanDerWaalsContact CE2-CA 3.43Å; W431-T790 VanDerWaalsContact CZ2-CA 3.49Å; W431-T790 PolarHBondContact N-O 2.83Å; W431-T790 WeakPolarHBondContact O-CB 3.49Å; W431-T790 PolarHBondContact O-OG1 3.4Å; M433-T790 HydrophobicContact CG-CG2 3.68Å; M433-T790 HydrophobicContact SD-CG2 4.46Å
791	R	96.6	Very high	97.5	Very high	80 Å²	80	16 Å²	16	30%	0.302	7%	0.072	S	C	.	.	B	Isolated β-bridge	trans	-142.9	148.1	-177.9	-56.2	179.7	70.9	93.6	2.2	110	G429 V430 W431 I752 C789 V793	G429-R791 WeakPolarHBondContact O-CA 3.37Å; V430-R791 HydrophobicContact CG1-CG 4.34Å; V430-R791 HydrophobicContact CG2-CG 4.38Å; W431-R791 VanDerWaalsContact CH2-C 3.44Å; W431-R791 VanDerWaalsContact CH2-N 3.33Å; W431-R791 VanDerWaalsContact CZ3-CA 3.45Å; I752-R791 VanDerWaalsContact CD1-NH2 3.34Å; C789-R791 HydrophobicContact CB-CG 4.45Å; C789-R791 PolarHBondContact O-N 3.16Å; R791-V793 PolarHBondContact O-N 3.12Å
792	S	97.8	Very high	97.6	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.028	7%	0.069	C	C	.	.			trans	-70	122.7	165.7	-175.3	0	0	0	0	109.1	G429 S748 H749 C783 H784	G429-S792 PolarHBondContact O-N 2.89Å; S748-S792 WeakPolarHBondContact O-CB 3.18Å; S748-S792 PolarHBondContact O-OG 3.26Å; H749-S792 WeakPolarHBondContact CB-O 3.15Å; C783-S792 WeakPolarHBondContact O-CA 3.5Å; H784-S792 PolarHBondContact CE1-OG 2.81Å; H784-S792 WeakPolarHBondContact NE2-CB 3.28Å
793	V	97.6	Very high	97.4	Very high	15 Å²	15	17.2 Å²	17.2	9%	0.091	8%	0.077	C	C	.	.			trans	-88.9	164.9	179.7	-71.8	0	0	0	0	111.6	S748 C783 Y786 R791 I795 Y800	S748-V793 WeakPolarHBondContact CB-O 3.36Å; S748-V793 PolarHBondContact OG-O 3.37Å; C783-V793 WeakPolarHBondContact CB-O 3.46Å; C783-V793 VanDerWaalsContact O-CG2 3.26Å; C783-V793 WeakPolarHBondContact O-CG2 3.47Å; C783-V793 PolarHBondContact O-N 2.84Å; Y786-V793 HydrophobicContact CD1-CG1 3.42Å; Y786-V793 VanDerWaalsContact CD1-CG1 3.42Å; Y786-V793 HydrophobicContact CD1-CG2 4.39Å; Y786-V793 HydrophobicContact CE1-CG1 3.93Å; Y786-V793 HydrophobicContact CG-CG1 3.96Å; Y786-V793 HydrophobicContact CG-CG2 4.07Å; R791-V793 PolarHBondContact O-N 3.12Å; V793-I795 VanDerWaalsContact C-N 3.27Å; V793-I795 WeakPolarHBondContact CG2-O 3.47Å; V793-I795 PolarHBondContact O-N 3.43Å; V793-Y800 HydrophobicContact CB-CD2 4.1Å; V793-Y800 HydrophobicContact CB-CE2 4.14Å; V793-Y800 HydrophobicContact CG1-CE2 4.35Å; V793-Y800 HydrophobicContact CG2-CD2 4.18Å
794	S	97.3	Very high	97.4	Very high	7 Å²	7	18.3 Å²	18.3	5%	0.049	8%	0.083	C	C	.	.	S	Bend	trans	-71.6	-16.5	-171.8	61.1	0	0	0	0	115.2	K705 S748 H749 S759	K705-S794 WeakPolarHBondContact CE-OG 3.45Å; K705-S794 PolarHBondContact NZ-OG 3.36Å; S748-S794 VanDerWaalsContact OG-C 3.23Å; S748-S794 WeakPolarHBondContact OG-CA 3.37Å; S748-S794 PolarHBondContact OG-O 2.89Å; H749-S794 WeakPolarHBondContact ND1-CB 3.33Å; S759-S794 WeakPolarHBondContact CB-O 3.46Å; S759-S794 PolarHBondContact OG-O 2.89Å
795	I	97.9	Very high	97.4	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.041	8%	0.083	C	C	.	.	S	Bend	trans	-142.5	157.4	-178.8	55.1	175.8	0	0	0	108	V703 K705 S759 V793 A799 Y800	V703-I795 HydrophobicContact CG1-CB 4.31Å; V703-I795 HydrophobicContact CG1-CG2 3.65Å; K705-I795 HydrophobicContact CB-CG2 4.31Å; K705-I795 HydrophobicContact CD-CG2 4.36Å; S759-I795 WeakPolarHBondContact OG-CG2 3.48Å; V793-I795 VanDerWaalsContact C-N 3.27Å; V793-I795 WeakPolarHBondContact CG2-O 3.47Å; V793-I795 PolarHBondContact O-N 3.43Å; I795-A799 HydrophobicContact CD1-CB 4.19Å; I795-Y800 HydrophobicContact CD1-CD2 3.94Å; I795-Y800 HydrophobicContact CD1-CG 4.21Å; I795-Y800 HydrophobicContact CG1-CD2 3.5Å; I795-Y800 VanDerWaalsContact CG1-CD2 3.5Å; I795-Y800 HydrophobicContact CG1-CE2 4.21Å; I795-Y800 HydrophobicContact CG1-CG 4.15Å
796	P	98.4	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.			trans	-55.2	143.8	179.9	-28.7	39	0	0	0	111.8	Y663 Y761 T779 L782 P798 A799 Y800	Y663-P796 HydrophobicContact CD1-CG 3.91Å; Y663-P796 HydrophobicContact CE1-CG 3.74Å; Y663-P796 HydrophobicContact CG-CG 4.4Å; Y761-P796 HydrophobicContact CE1-CG 3.99Å; Y761-P796 WeakPolarHBondContact OH-CD 3.42Å; T779-P796 HydrophobicContact CG2-CG 3.89Å; L782-P796 HydrophobicContact CB-CB 3.87Å; P796-P798 VanDerWaalsContact C-CD 3.43Å; P796-P798 VanDerWaalsContact C-N 3.32Å; P796-P798 HydrophobicContact CB-CG 4Å; P796-A799 PolarHBondContact O-N 3.3Å; P796-A799 VanDerWaalsContact O-N 3.11Å; P796-Y800 PolarHBondContact O-N 3.46Å; P796-Y800 VanDerWaalsContact O-N 3.07Å
797	A	98.3	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-45.4	-46.1	176.2	0	0	0	0	0	114.2	L782 T785 A799 Y800 Y801	L782-A797 WeakPolarHBondContact O-CB 3.36Å; L782-A797 PolarHBondContact O-N 3.12Å; T785-A797 VanDerWaalsContact OG1-CB 3.31Å; T785-A797 WeakPolarHBondContact OG1-CB 3.26Å; A797-A799 PolarHBondContact O-N 2.71Å; A797-Y800 WeakPolarHBondContact O-CB 3.38Å; A797-Y800 PolarHBondContact O-N 3.44Å; A797-Y801 HydrophobicContact CB-CD2 4.31Å; A797-Y801 HydrophobicContact CB-CE2 3.71Å; A797-Y801 WeakPolarHBondContact O-CB 3.31Å; A797-Y801 WeakPolarHBondContact O-CD2 3.34Å; A797-Y801 PolarHBondContact O-N 3.21Å
798	P	98.3	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.5	-48.1	177.5	16.6	-30.3	0	0	0	113.6	V611 Y621 Y663 P796 Y800 Y801 A802	V611-P798 HydrophobicContact CG2-CB 4.25Å; V611-P798 WeakPolarHBondContact CG2-O 3.21Å; Y621-P798 HydrophobicContact CE1-CB 3.78Å; Y621-P798 HydrophobicContact CE1-CG 4.45Å; Y663-P798 HydrophobicContact CD2-CG 4.13Å; P796-P798 VanDerWaalsContact C-CD 3.43Å; P796-P798 VanDerWaalsContact C-N 3.32Å; P796-P798 HydrophobicContact CB-CG 4Å; P798-Y800 VanDerWaalsContact C-N 3.32Å; P798-Y800 PolarHBondContact O-N 3.01Å; P798-Y801 PolarHBondContact O-N 2.77Å; P798-A802 PolarHBondContact O-N 3.1Å
799	A	97.6	Very high	97	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.6	-41.2	177.6	0	0	0	0	0	111.3	I795 P796 A797 Y801 A802 H803	I795-A799 HydrophobicContact CD1-CB 4.19Å; P796-A799 PolarHBondContact O-N 3.3Å; P796-A799 VanDerWaalsContact O-N 3.11Å; A797-A799 PolarHBondContact O-N 2.71Å; A799-Y801 VanDerWaalsContact C-N 3.34Å; A799-Y801 PolarHBondContact O-N 2.94Å; A799-A802 PolarHBondContact O-N 3.08Å; A799-H803 PolarHBondContact O-N 3.36Å
800	Y	97.6	Very high	96.8	Very high	61 Å²	61	19.3 Å²	19.3	24%	0.239	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-41.5	176.5	-140.7	-57.7	0	0	0	111.9	Y786 V793 I795 P796 A797 P798 H803 L804	Y786-Y800 HydrophobicContact CD2-CG 4.28Å; Y786-Y800 AromaticContact CE2-CD1 3.77Å; Y786-Y800 HydrophobicContact CE2-CD1 3.77Å; Y786-Y800 HydrophobicContact CE2-CE1 4.46Å; Y786-Y800 AromaticContact CE2-CG 3.85Å; Y786-Y800 HydrophobicContact CE2-CG 3.85Å; Y786-Y800 AromaticContact CZ-CD1 3.84Å; Y786-Y800 WeakPolarHBondContact OH-CE1 3.46Å; V793-Y800 HydrophobicContact CB-CD2 4.1Å; V793-Y800 HydrophobicContact CB-CE2 4.14Å; V793-Y800 HydrophobicContact CG1-CE2 4.35Å; V793-Y800 HydrophobicContact CG2-CD2 4.18Å; I795-Y800 HydrophobicContact CD1-CD2 3.94Å; I795-Y800 HydrophobicContact CD1-CG 4.21Å; I795-Y800 HydrophobicContact CG1-CD2 3.5Å; I795-Y800 VanDerWaalsContact CG1-CD2 3.5Å; I795-Y800 HydrophobicContact CG1-CE2 4.21Å; I795-Y800 HydrophobicContact CG1-CG 4.15Å; P796-Y800 PolarHBondContact O-N 3.46Å; P796-Y800 VanDerWaalsContact O-N 3.07Å; A797-Y800 WeakPolarHBondContact O-CB 3.38Å; A797-Y800 PolarHBondContact O-N 3.44Å; P798-Y800 VanDerWaalsContact C-N 3.32Å; P798-Y800 PolarHBondContact O-N 3.01Å; Y800-H803 PolarHBondContact O-N 2.98Å; Y800-L804 HydrophobicContact CD1-CG 4.43Å; Y800-L804 WeakPolarHBondContact O-CG 3.32Å; Y800-L804 PolarHBondContact O-N 3.34Å; Y800-L804 VanDerWaalsContact O-N 3.12Å
801	Y	98.6	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.8	-41	178.7	-65.4	-35.2	0	0	0	112.6	Y621 T785 Y786 V787 A797 P798 A799 H803 L804 V805 M855 F857	Y621-Y801 HydrophobicContact CD1-CD2 4.21Å; Y621-Y801 AromaticContact CD2-CD2 3.71Å; Y621-Y801 HydrophobicContact CD2-CD2 3.71Å; Y621-Y801 AromaticContact CD2-CE2 3.47Å; Y621-Y801 HydrophobicContact CD2-CE2 3.47Å; Y621-Y801 VanDerWaalsContact CD2-CE2 3.47Å; Y621-Y801 HydrophobicContact CE2-CD2 4.14Å; Y621-Y801 AromaticContact CE2-CE2 3.76Å; Y621-Y801 HydrophobicContact CE2-CE2 3.76Å; Y621-Y801 AromaticContact CG-CD2 3.77Å; Y621-Y801 HydrophobicContact CG-CD2 3.77Å; Y621-Y801 HydrophobicContact CG-CE2 4.03Å; T785-Y801 PolarHBondContact O-OH 2.83Å; Y786-Y801 HydrophobicContact CD2-CD1 4.04Å; Y786-Y801 AromaticContact CD2-CE1 3.38Å; Y786-Y801 HydrophobicContact CD2-CE1 3.38Å; Y786-Y801 AromaticContact CD2-CZ 3.84Å; Y786-Y801 AromaticContact CE2-CD1 3.89Å; Y786-Y801 HydrophobicContact CE2-CD1 3.89Å; Y786-Y801 AromaticContact CE2-CE1 3.52Å; Y786-Y801 HydrophobicContact CE2-CE1 3.52Å; V787-Y801 WeakPolarHBondContact CG1-OH 3.38Å; V787-Y801 HydrophobicContact CG2-CE1 4.16Å; V787-Y801 VanDerWaalsContact CG2-OH 3.27Å; V787-Y801 WeakPolarHBondContact CG2-OH 3.49Å; V787-Y801 PolarHBondContact N-OH 3.41Å; A797-Y801 HydrophobicContact CB-CD2 4.31Å; A797-Y801 HydrophobicContact CB-CE2 3.71Å; A797-Y801 WeakPolarHBondContact O-CB 3.31Å; A797-Y801 WeakPolarHBondContact O-CD2 3.34Å; A797-Y801 PolarHBondContact O-N 3.21Å; P798-Y801 PolarHBondContact O-N 2.77Å; A799-Y801 VanDerWaalsContact C-N 3.34Å; A799-Y801 PolarHBondContact O-N 2.94Å; Y801-H803 VanDerWaalsContact C-N 3.28Å; Y801-H803 PolarHBondContact O-N 3.32Å; Y801-L804 HydrophobicContact CD1-CD1 4.28Å; Y801-L804 WeakPolarHBondContact O-CB 3.45Å; Y801-L804 PolarHBondContact O-N 3.46Å; Y801-V805 WeakPolarHBondContact O-CG2 3.42Å; Y801-V805 PolarHBondContact O-N 2.7Å; Y801-M855 HydrophobicContact CD2-CE 4.37Å; Y801-M855 HydrophobicContact CE1-CE 4.1Å; Y801-M855 HydrophobicContact CE2-CE 3.89Å; Y801-F857 HydrophobicContact CD1-CD2 4.22Å; Y801-F857 AromaticContact CD1-CE2 3.7Å; Y801-F857 HydrophobicContact CD1-CE2 3.7Å; Y801-F857 HydrophobicContact CD2-CE2 4.43Å; Y801-F857 HydrophobicContact CE1-CE2 4.43Å; Y801-F857 HydrophobicContact CG-CD2 4.49Å; Y801-F857 AromaticContact CG-CE2 3.7Å; Y801-F857 HydrophobicContact CG-CE2 3.7Å; Y801-F857 HydrophobicContact CG-CZ 4.5Å
802	A	97.9	Very high	96.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.6	-45.4	174.7	0	0	0	0	0	111.7	G591 D593 A609 V611 P798 A799 L804 V805 A806	G591-A802 WeakPolarHBondContact O-CB 3.33Å; D593-A802 HydrophobicContact CB-CB 3.86Å; A609-A802 VanDerWaalsContact CB-O 3.28Å; A609-A802 WeakPolarHBondContact CB-O 3.38Å; V611-A802 HydrophobicContact CG2-CB 4.44Å; P798-A802 PolarHBondContact O-N 3.1Å; A799-A802 PolarHBondContact O-N 3.08Å; A802-L804 PolarHBondContact O-N 2.84Å; A802-V805 WeakPolarHBondContact O-CB 3.24Å; A802-V805 PolarHBondContact O-N 2.86Å; A802-A806 PolarHBondContact O-N 3.21Å
803	H	95.7	Very high	95.9	Very high	40 Å²	40	20.8 Å²	20.8	19%	0.185	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-36.5	175.4	178.8	-108.8	0	0	0	113.1	D593 A799 Y800 Y801 F807	D593-H803 HydrophobicContact CB-CB 4.4Å; D593-H803 IonicContact OD2-CD2 3.9Å; A799-H803 PolarHBondContact O-N 3.36Å; Y800-H803 PolarHBondContact O-N 2.98Å; Y801-H803 VanDerWaalsContact C-N 3.28Å; Y801-H803 PolarHBondContact O-N 3.32Å; H803-F807 AromaticContact CD2-CE2 3.98Å; H803-F807 AromaticContact CE1-CD2 3.65Å; H803-F807 AromaticContact CE1-CE2 3.03Å; H803-F807 WeakPolarHBondContact CE1-CE2 3.46Å; H803-F807 AromaticContact CE1-CZ 3.86Å; H803-F807 AromaticContact ND1-CD2 3.83Å; H803-F807 AromaticContact ND1-CE2 3.69Å; H803-F807 AromaticContact NE2-CD2 3.92Å; H803-F807 AromaticContact NE2-CE2 3.18Å; H803-F807 WeakPolarHBondContact NE2-CE2 3.13Å; H803-F807 AromaticContact NE2-CZ 3.57Å; H803-F807 PolarHBondContact O-N 3.02Å
804	L	97.3	Very high	95	Very high	23 Å²	23	22.6 Å²	22.6	12%	0.12	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-38.4	173	-67.5	-178.2	0	0	0	112.5	Y786 Y800 Y801 A802 R808 F857	Y786-L804 HydrophobicContact CE2-CD1 4.25Å; Y800-L804 HydrophobicContact CD1-CG 4.43Å; Y800-L804 WeakPolarHBondContact O-CG 3.32Å; Y800-L804 PolarHBondContact O-N 3.34Å; Y800-L804 VanDerWaalsContact O-N 3.12Å; Y801-L804 HydrophobicContact CD1-CD1 4.28Å; Y801-L804 WeakPolarHBondContact O-CB 3.45Å; Y801-L804 PolarHBondContact O-N 3.46Å; A802-L804 PolarHBondContact O-N 2.84Å; L804-R808 WeakPolarHBondContact O-CB 3.4Å; L804-R808 PolarHBondContact O-N 3.06Å; L804-F857 HydrophobicContact CB-CB 4.28Å; L804-F857 HydrophobicContact CB-CD2 4.38Å
805	V	98.1	Very high	93	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-48	176.7	171.9	0	0	0	0	110.4	A609 V611 A623 V625 Y801 A802 F807 R808 A809 F857	A609-V805 HydrophobicContact CB-CB 3.84Å; A609-V805 HydrophobicContact CB-CG1 3.64Å; V611-V805 HydrophobicContact CG1-CG2 3.88Å; A623-V805 HydrophobicContact CB-CB 4.47Å; A623-V805 HydrophobicContact CB-CG1 4.09Å; A623-V805 HydrophobicContact CB-CG2 3.52Å; V625-V805 HydrophobicContact CB-CG1 3.86Å; V625-V805 HydrophobicContact CG2-CG1 4.16Å; Y801-V805 WeakPolarHBondContact O-CG2 3.42Å; Y801-V805 PolarHBondContact O-N 2.7Å; A802-V805 WeakPolarHBondContact O-CB 3.24Å; A802-V805 PolarHBondContact O-N 2.86Å; V805-F807 VanDerWaalsContact C-N 3.32Å; V805-F807 PolarHBondContact O-N 3.22Å; V805-R808 WeakPolarHBondContact O-CB 2.86Å; V805-R808 PolarHBondContact O-N 3.2Å; V805-R808 VanDerWaalsContact O-N 3.09Å; V805-A809 PolarHBondContact O-N 3.46Å; V805-F857 HydrophobicContact CG2-CB 3.78Å; V805-F857 HydrophobicContact CG2-CD1 3.44Å; V805-F857 VanDerWaalsContact CG2-CD1 3.44Å; V805-F857 HydrophobicContact CG2-CD2 4.14Å; V805-F857 HydrophobicContact CG2-CE1 4.01Å; V805-F857 HydrophobicContact CG2-CG 3.51Å
806	A	95.8	Very high	90.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-42.3	177.6	0	0	0	0	0	111.7	I607 A609 A802 A809 R810	I607-A806 HydrophobicContact CG2-CB 4.17Å; A609-A806 HydrophobicContact CB-CB 3.95Å; A802-A806 PolarHBondContact O-N 3.21Å; A806-A809 PolarHBondContact O-N 2.98Å; A806-R810 PolarHBondContact O-N 3.04Å; A806-R810 VanDerWaalsContact O-N 3.09Å
807	F	93.5	Very high	88	Confident	94 Å²	94	32.4 Å²	32.4	41%	0.412	15%	0.146	S	C	.	.	H	α-helix	trans	-66.6	-37	173.7	-84.4	-39.5	0	0	0	113.7	T595 H803 V805 R810 Y811	T595-F807 HydrophobicContact CG2-CE1 4.29Å; H803-F807 AromaticContact CD2-CE2 3.98Å; H803-F807 AromaticContact CE1-CD2 3.65Å; H803-F807 AromaticContact CE1-CE2 3.03Å; H803-F807 WeakPolarHBondContact CE1-CE2 3.46Å; H803-F807 AromaticContact CE1-CZ 3.86Å; H803-F807 AromaticContact ND1-CD2 3.83Å; H803-F807 AromaticContact ND1-CE2 3.69Å; H803-F807 AromaticContact NE2-CD2 3.92Å; H803-F807 AromaticContact NE2-CE2 3.18Å; H803-F807 WeakPolarHBondContact NE2-CE2 3.13Å; H803-F807 AromaticContact NE2-CZ 3.57Å; H803-F807 PolarHBondContact O-N 3.02Å; V805-F807 VanDerWaalsContact C-N 3.32Å; V805-F807 PolarHBondContact O-N 3.22Å; F807-R810 WeakPolarHBondContact O-CB 3.28Å; F807-R810 PolarHBondContact O-N 3.23Å; F807-Y811 WeakPolarHBondContact O-CD2 3.24Å; F807-Y811 PolarHBondContact O-N 2.72Å
808	R	95.4	Very high	85.1	Confident	15 Å²	15	39.3 Å²	39.3	6%	0.057	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-45.2	176.3	-177.1	60.6	63.8	71.2	16	111.2	D533 L804 V805 R810 Y811 H812 Y856 F857	D533-R808 IonicContact OD1-NH1 3.82Å; D533-R808 WeakPolarHBondContact OD2-CD 3.46Å; D533-R808 IonicContact OD2-CZ 2.93Å; D533-R808 IonicContact OD2-NE 3.53Å; D533-R808 IonicContact OD2-NH1 2.71Å; D533-R808 PolarHBondContact OD2-NH1 3.39Å; L804-R808 WeakPolarHBondContact O-CB 3.4Å; L804-R808 PolarHBondContact O-N 3.06Å; V805-R808 WeakPolarHBondContact O-CB 2.86Å; V805-R808 PolarHBondContact O-N 3.2Å; V805-R808 VanDerWaalsContact O-N 3.09Å; R808-R810 PolarHBondContact O-N 3.36Å; R808-Y811 WeakPolarHBondContact O-CA 3.42Å; R808-Y811 WeakPolarHBondContact O-CB 3.49Å; R808-Y811 PolarHBondContact O-N 2.82Å; R808-H812 PolarHBondContact O-N 2.6Å; R808-H812 VanDerWaalsContact O-N 3.13Å; R808-Y856 HydrophobicContact CB-CE2 4.41Å; R808-Y856 HydrophobicContact CG-CD2 4.12Å; R808-Y856 HydrophobicContact CG-CE2 3.66Å; R808-Y856 PolarHBondContact NH1-O 3.11Å; R808-Y856 PolarHBondContact NH2-O 3.19Å; R808-F857 PolarHBondContact NH2-O 3.42Å
809	A	95	Very high	81.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-33	175	0	0	0	0	0	112.4	I607 V625 V805 A806 Y811 H812 L813 V845	I607-A809 HydrophobicContact CD1-CB 4.18Å; I607-A809 HydrophobicContact CG2-CB 3.89Å; V625-A809 HydrophobicContact CG2-CB 3.62Å; V805-A809 PolarHBondContact O-N 3.46Å; A806-A809 PolarHBondContact O-N 2.98Å; A809-Y811 VanDerWaalsContact C-N 3.28Å; A809-Y811 PolarHBondContact O-N 3.26Å; A809-H812 PolarHBondContact O-N 3.48Å; A809-H812 VanDerWaalsContact O-N 3.16Å; A809-L813 WeakPolarHBondContact O-CG 3.19Å; A809-L813 PolarHBondContact O-N 2.94Å; A809-V845 HydrophobicContact CB-CB 4.18Å; A809-V845 HydrophobicContact CB-CG1 3.85Å
810	R	91.7	Very high	78.4	Confident	47 Å²	47	48.3 Å²	48.3	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-35.7	172.1	-171	65	68.8	-170.9	2.1	112.4	T595 P605 I607 A806 F807 R808 L813	T595-R810 PolarHBondContact O-NH2 3.36Å; P605-R810 PolarHBondContact O-NH1 3.42Å; P605-R810 PolarHBondContact O-NH2 2.85Å; I607-R810 HydrophobicContact CD1-CB 3.87Å; A806-R810 PolarHBondContact O-N 3.04Å; A806-R810 VanDerWaalsContact O-N 3.09Å; F807-R810 WeakPolarHBondContact O-CB 3.28Å; F807-R810 PolarHBondContact O-N 3.23Å; R808-R810 PolarHBondContact O-N 3.36Å; R810-L813 PolarHBondContact O-N 3.28Å
811	Y	91.5	Very high	75.1	Confident	107 Å²	107	50.7 Å²	50.7	42%	0.42	26%	0.256	S	S	.	.	H	α-helix	trans	-69.2	-36.6	173.3	-81.7	-74.6	0	0	0	112.5	Y525 A526 F807 R808 A809 L813 V814	Y525-Y811 AromaticContact CD1-CD1 3.84Å; Y525-Y811 HydrophobicContact CD1-CD1 3.84Å; Y525-Y811 AromaticContact CD1-CE1 3.69Å; Y525-Y811 HydrophobicContact CD1-CE1 3.69Å; Y525-Y811 HydrophobicContact CD1-CE2 4.48Å; Y525-Y811 HydrophobicContact CD1-CG 4.29Å; Y525-Y811 AromaticContact CE1-CD1 4Å; Y525-Y811 HydrophobicContact CE1-CD1 4Å; Y525-Y811 AromaticContact CE1-CD2 3.94Å; Y525-Y811 HydrophobicContact CE1-CD2 3.94Å; Y525-Y811 AromaticContact CE1-CE1 3.92Å; Y525-Y811 HydrophobicContact CE1-CE1 3.92Å; Y525-Y811 AromaticContact CE1-CE2 3.86Å; Y525-Y811 HydrophobicContact CE1-CE2 3.86Å; Y525-Y811 HydrophobicContact CE1-CG 4Å; Y525-Y811 AromaticContact CE1-CZ 3.84Å; A526-Y811 HydrophobicContact CB-CD1 4.05Å; F807-Y811 WeakPolarHBondContact O-CD2 3.24Å; F807-Y811 PolarHBondContact O-N 2.72Å; R808-Y811 WeakPolarHBondContact O-CA 3.42Å; R808-Y811 WeakPolarHBondContact O-CB 3.49Å; R808-Y811 PolarHBondContact O-N 2.82Å; A809-Y811 VanDerWaalsContact C-N 3.28Å; A809-Y811 PolarHBondContact O-N 3.26Å; Y811-L813 PolarHBondContact O-N 2.82Å; Y811-V814 WeakPolarHBondContact O-CB 3.38Å; Y811-V814 WeakPolarHBondContact O-CG2 3.48Å; Y811-V814 PolarHBondContact O-N 3.17Å
812	H	92.7	Very high	71.6	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.023	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-19.4	176.1	-57.4	154.8	0	0	0	113.5	K529 D533 R808 A809 A844	K529-H812 PolarHBondContact O-NE2 3.38Å; D533-H812 IonicContact OD2-CE1 3.92Å; D533-H812 IonicContact OD2-NE2 3.18Å; D533-H812 PolarHBondContact OD2-NE2 3.48Å; D533-H812 VanDerWaalsContact OD2-NE2 3.16Å; R808-H812 PolarHBondContact O-N 2.6Å; R808-H812 VanDerWaalsContact O-N 3.13Å; A809-H812 PolarHBondContact O-N 3.48Å; A809-H812 VanDerWaalsContact O-N 3.16Å; H812-A844 WeakPolarHBondContact CB-O 3.45Å
813	L	87.9	Confident	68.1	Low	15 Å²	15	62.8 Å²	62.8	8%	0.079	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.1	177.8	-67.7	174	0	0	0	114.5	P605 I607 V627 A809 R810 Y811 D815 L841 A844 V845	P605-L813 HydrophobicContact CG-CD1 4.28Å; I607-L813 HydrophobicContact CD1-CD1 3.87Å; I607-L813 HydrophobicContact CG1-CD1 4.41Å; V627-L813 HydrophobicContact CG1-CD1 4.39Å; A809-L813 WeakPolarHBondContact O-CG 3.19Å; A809-L813 PolarHBondContact O-N 2.94Å; R810-L813 PolarHBondContact O-N 3.28Å; Y811-L813 PolarHBondContact O-N 2.82Å; L813-D815 PolarHBondContact O-N 2.96Å; L813-L841 HydrophobicContact CD2-CD2 3.91Å; L813-A844 HydrophobicContact CD2-CB 3.84Å; L813-V845 HydrophobicContact CD1-CG1 4.25Å; L813-V845 HydrophobicContact CD2-CG1 3.89Å; L813-V845 HydrophobicContact CG-CG1 3.91Å
814	V	78.4	Confident	64.9	Low	52 Å²	52	65 Å²	65	32%	0.315	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30.2	-170.6	174	0	0	0	0	113.1	A526 Y811 K816 E817	A526-V814 HydrophobicContact CB-CB 4.13Å; A526-V814 HydrophobicContact CB-CG1 4.29Å; A526-V814 HydrophobicContact CB-CG2 4.39Å; Y811-V814 WeakPolarHBondContact O-CB 3.38Å; Y811-V814 WeakPolarHBondContact O-CG2 3.48Å; Y811-V814 PolarHBondContact O-N 3.17Å; V814-K816 VanDerWaalsContact C-N 3.32Å; V814-K816 PolarHBondContact O-N 3.02Å; V814-E817 PolarHBondContact O-N 2.87Å
815	D	56.6	Low	61.7	Low	65 Å²	65	73.7 Å²	73.7	35%	0.348	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-82	3	-171	-63.7	-41.4	0	0	0	116.1	R530 L813	R530-D815 VanDerWaalsContact CD-OD2 3.29Å; R530-D815 WeakPolarHBondContact CD-OD2 3.07Å; R530-D815 IonicContact NE-OD2 3.37Å; L813-D815 PolarHBondContact O-N 2.96Å
816	K	50.6	Low	58.1	Low	92 Å²	92	77 Å²	77	40%	0.4	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-99	1.2	170.2	-71	-172.9	177.9	178.1	0	113.9	V814 R836 A840	V814-K816 VanDerWaalsContact C-N 3.32Å; V814-K816 PolarHBondContact O-N 3.02Å; K816-R836 PolarHBondContact O-NH2 2.96Å; K816-A840 VanDerWaalsContact NZ-CB 3.31Å; K816-A840 PolarHBondContact NZ-O 3.03Å
817	E	40.6	Very low	54.9	Low	64 Å²	64	82 Å²	82	30%	0.299	46%	0.462	S	S	.	.	S	Bend	trans	-98.9	-23.1	-174.3	-72	-176.9	-177.7	0	0	115.1	K604 V814 R836	K604-E817 WeakPolarHBondContact CE-OE1 3.25Å; K604-E817 IonicContact NZ-OE1 3.43Å; K604-E817 PolarHBondContact NZ-OE1 2.86Å; K604-E817 IonicContact NZ-OE2 3.73Å; K604-E817 PolarHBondContact NZ-OE2 3.3Å; V814-E817 PolarHBondContact O-N 2.87Å; E817-R836 VanDerWaalsContact CG-NH1 3.34Å; E817-R836 IonicContact OE1-NH1 2.7Å
818	H	35.6	Very low	51.6	Low	146 Å²	146	85.9 Å²	85.9	68%	0.676	48%	0.481	S	S	*	.	S	Bend	trans	-86.6	-37.3	-178.8	-90.9	68.8	0	0	0	113.7	S820	H818-S820 PolarHBondContact O-N 2.81Å
819	D	28.3	Very low	48.4	Very low	122 Å²	122	92.2 Å²	92.2	65%	0.652	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-75.2	-26.3	-175.2	-73.3	-17.4	0	0	0	114.4	C821 S823	D819-C821 VanDerWaalsContact C-N 3.26Å; D819-C821 PolarHBondContact O-N 3.26Å; D819-S823 PolarHBondContact O-OG 3.3Å
820	S	28.8	Very low	45.3	Very low	67 Å²	67	98 Å²	98	47%	0.469	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-77.6	-4.2	-177.3	56.1	0	0	0	0	114.9	H818	H818-S820 PolarHBondContact O-N 2.81Å
821	C	27.2	Very low	42.1	Very low	111 Å²	111	99.2 Å²	99.2	75%	0.75	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-104.3	-7.8	177.6	-74.6	0	0	0	0	114.1	D819	D819-C821 VanDerWaalsContact C-N 3.26Å; D819-C821 PolarHBondContact O-N 3.26Å
822	L	25.5	Very low	39.2	Very low	159 Å²	159	102.6 Å²	102.6	83%	0.832	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	-5.9	-176.2	-72.2	166.3	0	0	0	114
823	S	24.5	Very low	36.5	Very low	95 Å²	95	108.2 Å²	108.2	66%	0.664	64%	0.641	S	S	*	*	S	Bend	trans	-125.9	24	-169.3	55	0	0	0	0	115.2	D819	D819-S823 PolarHBondContact O-OG 3.3Å
824	A	27.8	Very low	34.1	Very low	86 Å²	86	114.8 Å²	114.8	71%	0.711	68%	0.677	S	S	*	*			trans	-125.6	57.6	179.6	0	0	0	0	0	112.9
825	E	29.4	Very low	32.5	Very low	205 Å²	205	115.4 Å²	115.4	96%	0.958	69%	0.694	S	S	*	*			trans	-136.5	86.9	156	-76	-168.9	168.9	0	0	108.9
826	G	23.4	Very low	32.5	Very low	71 Å²	71	117.2 Å²	117.2	73%	0.732	70%	0.696	S	S	*	*	S	Bend	trans	-159.1	96.4	171.7	0	0	0	0	0	108.8
827	S	28.1	Very low	33.8	Very low	103 Å²	103	117 Å²	117	72%	0.72	70%	0.699	S	S	*	*			trans	-8.1	117.4	171.2	50.3	0	0	0	0	119.1
828	H	25.1	Very low	35.6	Very low	177 Å²	177	118.6 Å²	118.6	82%	0.819	72%	0.715	S	S	*	*				173.8	148.6	110.7	-93.2	-74.9	0	0	0	112.9
829	I	28.3	Very low	38	Very low	148 Å²	148	118.8 Å²	118.8	76%	0.759	72%	0.716	S	S	*	*			trans	-45.7	142.4	-172.9	-58.8	166.3	0	0	0	118
830	S	28.9	Very low	40.7	Very low	120 Å²	120	114.3 Å²	114.3	84%	0.839	70%	0.696	S	S	*	*			trans	72.8	126	155.3	68	0	0	0	0	121
831	G	25.2	Very low	43.4	Very low	73 Å²	73	112.1 Å²	112.1	75%	0.753	68%	0.679	S	S	*	*			trans	131.3	98.7	159.2	0	0	0	0	0	115.5
832	Q	29.8	Very low	46.4	Very low	178 Å²	178	109 Å²	109	83%	0.832	66%	0.661	S	S	*	*			trans	45.8	126.4	153.5	-64.7	-179.6	0.8	0	0	120.7	N834	Q832-N834 PolarHBondContact O-N 2.88Å
833	S	36.8	Very low	49.4	Very low	123 Å²	123	109 Å²	109	86%	0.86	66%	0.655	S	S	*	*			trans	-55.3	95.7	168.3	52.7	0	0	0	0	113.3	G835	S833-G835 PolarHBondContact O-N 2.9Å
834	N	36.5	Very low	52.5	Low	153 Å²	153	105.6 Å²	105.6	82%	0.818	63%	0.632	S	S	*	*			trans	-84.2	104.2	172.5	-83.8	-16.7	0	0	0	111.5	Q832	Q832-N834 PolarHBondContact O-N 2.88Å
835	G	44.6	Very low	55.6	Low	66 Å²	66	101.7 Å²	101.7	68%	0.68	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-56.3	146.2	153.6	0	0	0	0	0	109.6	S833 D837	S833-G835 PolarHBondContact O-N 2.9Å; G835-D837 PolarHBondContact O-N 3.12Å
836	R	58.4	Low	58.6	Low	103 Å²	103	98.3 Å²	98.3	39%	0.389	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-51	134.1	178.9	-68.4	179.1	-174.8	153.9	8.4	110.3	K816 E817 P838 L841	K816-R836 PolarHBondContact O-NH2 2.96Å; E817-R836 VanDerWaalsContact CG-NH1 3.34Å; E817-R836 IonicContact OE1-NH1 2.7Å; R836-P838 WeakPolarHBondContact O-CD 3.37Å; R836-L841 HydrophobicContact CB-CD1 4.45Å
837	D	76.4	Confident	62	Low	88 Å²	88	95.7 Å²	95.7	47%	0.471	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-49.8	119.5	175.6	173.2	14.2	0	0	0	110.8	G835 Q839 A840 L841	G835-D837 PolarHBondContact O-N 3.12Å; D837-Q839 PolarHBondContact O-N 3.46Å; D837-Q839 WeakPolarHBondContact OD1-CB 3.23Å; D837-Q839 PolarHBondContact OD1-N 3.02Å; D837-A840 HydrophobicContact CB-CB 4.09Å; D837-A840 WeakPolarHBondContact O-CB 3.42Å; D837-A840 PolarHBondContact O-N 2.98Å; D837-L841 PolarHBondContact O-N 2.94Å
838	P	79.9	Confident	65.2	Low	97 Å²	97	92.3 Å²	92.3	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-51.6	-34.3	176.8	-28	35.4	0	0	0	113.5	R836 A840 L841 A842	R836-P838 WeakPolarHBondContact O-CD 3.37Å; P838-A840 VanDerWaalsContact C-N 3.33Å; P838-A840 PolarHBondContact O-N 3.37Å; P838-L841 PolarHBondContact O-N 3.29Å; P838-A842 PolarHBondContact O-N 3.38Å
839	Q	84.1	Confident	68.4	Low	149 Å²	149	89.9 Å²	89.9	70%	0.696	51%	0.514	S	S	*	.	H	α-helix	trans	-66.8	-37.9	179.4	-166.3	173.8	12.2	0	0	111.4	D837 L841 A842 K843	D837-Q839 PolarHBondContact O-N 3.46Å; D837-Q839 WeakPolarHBondContact OD1-CB 3.23Å; D837-Q839 PolarHBondContact OD1-N 3.02Å; Q839-L841 VanDerWaalsContact C-N 3.3Å; Q839-L841 PolarHBondContact O-N 3.2Å; Q839-A842 PolarHBondContact O-N 2.96Å; Q839-K843 PolarHBondContact O-N 2.89Å
840	A	85.6	Confident	71.5	Confident	28 Å²	28	86.7 Å²	86.7	23%	0.231	50%	0.498	C	S	.	.	H	α-helix	trans	-69.5	-27.1	177.6	0	0	0	0	0	112.8	K816 D837 P838	K816-A840 VanDerWaalsContact NZ-CB 3.31Å; K816-A840 PolarHBondContact NZ-O 3.03Å; D837-A840 HydrophobicContact CB-CB 4.09Å; D837-A840 WeakPolarHBondContact O-CB 3.42Å; D837-A840 PolarHBondContact O-N 2.98Å; P838-A840 VanDerWaalsContact C-N 3.33Å; P838-A840 PolarHBondContact O-N 3.37Å
841	L	86.9	Confident	74.6	Confident	22 Å²	22	81.2 Å²	81.2	12%	0.115	46%	0.46	C	S	.	.	H	α-helix	trans	-77.3	-39.2	171.7	-67.7	171	0	0	0	111.5	P605 V627 L813 R836 D837 P838 Q839 A844	P605-L841 HydrophobicContact CG-CD1 4.23Å; V627-L841 HydrophobicContact CG2-CB 4.07Å; L813-L841 HydrophobicContact CD2-CD2 3.91Å; R836-L841 HydrophobicContact CB-CD1 4.45Å; D837-L841 PolarHBondContact O-N 2.94Å; P838-L841 PolarHBondContact O-N 3.29Å; Q839-L841 VanDerWaalsContact C-N 3.3Å; Q839-L841 PolarHBondContact O-N 3.2Å; L841-A844 PolarHBondContact O-N 3.36Å
842	A	89.3	Confident	77.8	Confident	45 Å²	45	81.5 Å²	81.5	37%	0.372	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-44.4	175.7	0	0	0	0	0	111.8	V627 P838 Q839 A844 V845 Q846	V627-A842 HydrophobicContact CG2-CB 4.13Å; P838-A842 PolarHBondContact O-N 3.38Å; Q839-A842 PolarHBondContact O-N 2.96Å; A842-A844 VanDerWaalsContact C-N 3.27Å; A842-A844 PolarHBondContact O-N 2.85Å; A842-V845 VanDerWaalsContact O-CG2 3.25Å; A842-V845 WeakPolarHBondContact O-CG2 3.32Å; A842-V845 PolarHBondContact O-N 3.38Å; A842-Q846 PolarHBondContact O-N 3.33Å
843	K	88.9	Confident	80.8	Confident	160 Å²	160	80 Å²	80	70%	0.696	43%	0.43	S	S	*	.	H	α-helix	trans	-61.9	-33.9	176.3	-170.6	174.3	-178.1	177.6	0	112.8	Q839 V845 Q846	Q839-K843 PolarHBondContact O-N 2.89Å; K843-V845 VanDerWaalsContact C-N 3.31Å; K843-V845 PolarHBondContact O-N 3.46Å; K843-Q846 WeakPolarHBondContact O-CB 3.33Å; K843-Q846 PolarHBondContact O-N 3.08Å
844	A	89.3	Confident	83.5	Confident	23 Å²	23	76 Å²	76	19%	0.19	40%	0.401	C	S	.	.	H	α-helix	trans	-68.8	-28.3	-178.2	0	0	0	0	0	113.4	H812 L813 L841 A842	H812-A844 WeakPolarHBondContact CB-O 3.45Å; L813-A844 HydrophobicContact CD2-CB 3.84Å; L841-A844 PolarHBondContact O-N 3.36Å; A842-A844 VanDerWaalsContact C-N 3.27Å; A842-A844 PolarHBondContact O-N 2.85Å
845	V	92.6	Very high	86.4	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.018	36%	0.364	C	S	.	.	H	α-helix	trans	-94.8	-3.1	176.7	-58.7	0	0	0	0	112.8	V625 V627 A809 L813 A842 K843 I847	V625-V845 HydrophobicContact CG1-CB 4.29Å; V625-V845 WeakPolarHBondContact CG1-O 3.49Å; V627-V845 HydrophobicContact CG1-CG1 3.95Å; V627-V845 HydrophobicContact CG1-CG2 4.02Å; A809-V845 HydrophobicContact CB-CB 4.18Å; A809-V845 HydrophobicContact CB-CG1 3.85Å; L813-V845 HydrophobicContact CD1-CG1 4.25Å; L813-V845 HydrophobicContact CD2-CG1 3.89Å; L813-V845 HydrophobicContact CG-CG1 3.91Å; A842-V845 VanDerWaalsContact O-CG2 3.25Å; A842-V845 WeakPolarHBondContact O-CG2 3.32Å; A842-V845 PolarHBondContact O-N 3.38Å; K843-V845 VanDerWaalsContact C-N 3.31Å; K843-V845 PolarHBondContact O-N 3.46Å; V845-I847 PolarHBondContact O-N 3.47Å
846	Q	92.6	Very high	89	Confident	134 Å²	134	66.5 Å²	66.5	63%	0.626	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-71.6	124.8	177.6	-170.1	172	8.1	0	0	109.9	T534 A842 K843	T534-Q846 WeakPolarHBondContact CB-O 3.36Å; T534-Q846 WeakPolarHBondContact CG2-O 3.36Å; A842-Q846 PolarHBondContact O-N 3.33Å; K843-Q846 WeakPolarHBondContact O-CB 3.33Å; K843-Q846 PolarHBondContact O-N 3.08Å
847	I	93.9	Very high	90.8	Very high	16 Å²	16	61.7 Å²	61.7	8%	0.082	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-84.9	146.4	-176.2	-59.8	-56.7	0	0	0	109.9	D533 T534 V845 T851 L852 Y856	D533-I847 HydrophobicContact CB-CD1 4.43Å; T534-I847 HydrophobicContact CG2-CD1 4.15Å; V845-I847 PolarHBondContact O-N 3.47Å; I847-T851 HydrophobicContact CG2-CG2 3.36Å; I847-L852 HydrophobicContact CB-CD2 4.05Å; I847-L852 HydrophobicContact CG2-CD2 4.35Å; I847-Y856 HydrophobicContact CD1-CD2 4.48Å; I847-Y856 HydrophobicContact CD1-CE1 4.33Å; I847-Y856 HydrophobicContact CD1-CE2 3.62Å; I847-Y856 WeakPolarHBondContact CD1-OH 3.46Å; I847-Y856 HydrophobicContact CG1-CE1 4.18Å; I847-Y856 HydrophobicContact CG1-CE2 4.35Å; I847-Y856 WeakPolarHBondContact CG1-OH 3.23Å; I847-Y856 HydrophobicContact CG2-CE1 4.37Å
848	H	96.3	Very high	91.5	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.153	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60.9	149.2	177.3	-171.7	-96.1	0	0	0	111.2	D533 T534 L535 G537 D850 T851 L852	D533-H848 WeakPolarHBondContact O-CB 3.5Å; D533-H848 PolarHBondContact O-N 2.53Å; T534-H848 WeakPolarHBondContact O-CB 3.2Å; L535-H848 PolarHBondContact O-CD2 3.27Å; L535-H848 VanDerWaalsContact O-CD2 3.23Å; G537-H848 WeakPolarHBondContact CA-ND1 3.4Å; H848-D850 VanDerWaalsContact C-N 3.32Å; H848-D850 IonicContact CE1-OD2 2.65Å; H848-D850 PolarHBondContact CE1-OD2 3.39Å; H848-D850 PolarHBondContact ND1-N 3.11Å; H848-D850 IonicContact ND1-OD2 3.65Å; H848-D850 PolarHBondContact O-N 3.06Å; H848-T851 WeakPolarHBondContact O-CA 3.32Å; H848-T851 WeakPolarHBondContact O-CB 3.29Å; H848-T851 PolarHBondContact O-N 2.97Å; H848-L852 PolarHBondContact O-N 3.43Å; H848-L852 VanDerWaalsContact O-N 3.09Å
849	H	92.9	Very high	92.1	Very high	125 Å²	125	55.6 Å²	55.6	58%	0.579	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.3	-175.3	74.8	-85.1	0	0	0	113.5	T851 L852	H849-T851 PolarHBondContact O-N 2.92Å; H849-L852 PolarHBondContact O-N 3.41Å
850	D	92.1	Very high	92.5	Very high	81 Å²	81	50.7 Å²	50.7	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.1	175.3	-66.5	-36.7	0	0	0	113.2	H848 T854	H848-D850 VanDerWaalsContact C-N 3.32Å; H848-D850 IonicContact CE1-OD2 2.65Å; H848-D850 PolarHBondContact CE1-OD2 3.39Å; H848-D850 PolarHBondContact ND1-N 3.11Å; H848-D850 IonicContact ND1-OD2 3.65Å; H848-D850 PolarHBondContact O-N 3.06Å; D850-T854 WeakPolarHBondContact O-CG2 3.39Å
851	T	94.8	Very high	92.9	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-23.1	-177.9	-53.7	0	0	0	0	112.1	D533 G537 I847 H848 H849 R853 T854 Y856	D533-T851 HydrophobicContact CB-CG2 4.4Å; D533-T851 PolarHBondContact O-OG1 2.9Å; G537-T851 VanDerWaalsContact CA-OG1 3.23Å; G537-T851 WeakPolarHBondContact CA-OG1 3.5Å; I847-T851 HydrophobicContact CG2-CG2 3.36Å; H848-T851 WeakPolarHBondContact O-CA 3.32Å; H848-T851 WeakPolarHBondContact O-CB 3.29Å; H848-T851 PolarHBondContact O-N 2.97Å; H849-T851 PolarHBondContact O-N 2.92Å; T851-R853 PolarHBondContact O-N 2.8Å; T851-T854 WeakPolarHBondContact CG2-OG1 3.37Å; T851-T854 WeakPolarHBondContact O-CB 3.41Å; T851-T854 PolarHBondContact O-N 3.19Å; T851-T854 PolarHBondContact O-OG1 3.09Å; T851-Y856 HydrophobicContact CG2-CD1 3.74Å; T851-Y856 HydrophobicContact CG2-CD2 4.33Å; T851-Y856 HydrophobicContact CG2-CG 3.62Å
852	L	92.1	Very high	93.3	Very high	80 Å²	80	53.7 Å²	53.7	42%	0.419	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.8	-176.6	-72.4	173.5	0	0	0	113.6	I847 H848 H849	I847-L852 HydrophobicContact CB-CD2 4.05Å; I847-L852 HydrophobicContact CG2-CD2 4.35Å; H848-L852 PolarHBondContact O-N 3.43Å; H848-L852 VanDerWaalsContact O-N 3.09Å; H849-L852 PolarHBondContact O-N 3.41Å
853	R	92.4	Very high	93.5	Very high	145 Å²	145	54.3 Å²	54.3	55%	0.547	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.8	-176.9	-57.8	-178.6	-172.7	157.5	10.5	113.7	T851	T851-R853 PolarHBondContact O-N 2.8Å
854	T	95.1	Very high	93.8	Very high	40 Å²	40	47.2 Å²	47.2	25%	0.245	23%	0.228	C	C	.	.	S	Bend	trans	-112	159.1	-174.4	74.3	0	0	0	0	111.8	D850 T851 Y856	D850-T854 WeakPolarHBondContact O-CG2 3.39Å; T851-T854 WeakPolarHBondContact CG2-OG1 3.37Å; T851-T854 WeakPolarHBondContact O-CB 3.41Å; T851-T854 PolarHBondContact O-N 3.19Å; T851-T854 PolarHBondContact O-OG1 3.09Å; T854-Y856 PolarHBondContact O-N 3.14Å; T854-Y856 PolarHBondContact OG1-N 3.33Å
855	M	97.4	Very high	94.2	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.039	23%	0.231	C	C	.	.			trans	-89.5	51.4	169.9	-70.1	-178.5	76.2	0	0	111.1	V565 Y621 V787 Y801 F857 A858	V565-M855 HydrophobicContact CG1-CB 3.56Å; V565-M855 HydrophobicContact CG1-CE 3.94Å; V565-M855 HydrophobicContact CG1-CG 4.1Å; V565-M855 HydrophobicContact CG1-SD 3.5Å; V565-M855 VanDerWaalsContact CG1-SD 3.5Å; Y621-M855 HydrophobicContact CD2-CE 4.41Å; Y621-M855 PolarHBondContact N-SD 3.27Å; Y621-M855 VanDerWaalsContact N-SD 3.4Å; Y621-M855 WeakPolarHBondContact O-CG 3.38Å; V787-M855 HydrophobicContact CG2-CE 4.25Å; Y801-M855 HydrophobicContact CD2-CE 4.37Å; Y801-M855 HydrophobicContact CE1-CE 4.1Å; Y801-M855 HydrophobicContact CE2-CE 3.89Å; M855-F857 HydrophobicContact CB-CE1 4.35Å; M855-F857 HydrophobicContact CB-CE2 4.43Å; M855-F857 HydrophobicContact CB-CZ 4.08Å; M855-F857 HydrophobicContact CE-CE2 3.97Å; M855-F857 HydrophobicContact CE-CZ 4.07Å; M855-F857 HydrophobicContact CG-CE1 4.36Å; M855-F857 HydrophobicContact CG-CE2 4.48Å; M855-F857 HydrophobicContact CG-CZ 3.87Å; M855-F857 PolarHBondContact O-N 2.9Å; M855-F857 VanDerWaalsContact O-N 3.09Å; M855-A858 HydrophobicContact CB-CB 4.41Å; M855-A858 WeakPolarHBondContact O-CB 3.45Å; M855-A858 PolarHBondContact O-N 2.92Å
856	Y	97.4	Very high	94.3	Very high	12 Å²	12	52.5 Å²	52.5	5%	0.047	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.9	-178	71.6	-80.3	0	0	0	113.6	D533 A623 R808 I847 T851 T854 A858	D533-Y856 HydrophobicContact CB-CD2 3.91Å; D533-Y856 HydrophobicContact CB-CE2 4.37Å; D533-Y856 WeakPolarHBondContact OD2-CD2 3.48Å; A623-Y856 HydrophobicContact CB-CE1 4.26Å; R808-Y856 HydrophobicContact CB-CE2 4.41Å; R808-Y856 HydrophobicContact CG-CD2 4.12Å; R808-Y856 HydrophobicContact CG-CE2 3.66Å; R808-Y856 PolarHBondContact NH1-O 3.11Å; R808-Y856 PolarHBondContact NH2-O 3.19Å; I847-Y856 HydrophobicContact CD1-CD2 4.48Å; I847-Y856 HydrophobicContact CD1-CE1 4.33Å; I847-Y856 HydrophobicContact CD1-CE2 3.62Å; I847-Y856 WeakPolarHBondContact CD1-OH 3.46Å; I847-Y856 HydrophobicContact CG1-CE1 4.18Å; I847-Y856 HydrophobicContact CG1-CE2 4.35Å; I847-Y856 WeakPolarHBondContact CG1-OH 3.23Å; I847-Y856 HydrophobicContact CG2-CE1 4.37Å; T851-Y856 HydrophobicContact CG2-CD1 3.74Å; T851-Y856 HydrophobicContact CG2-CD2 4.33Å; T851-Y856 HydrophobicContact CG2-CG 3.62Å; T854-Y856 PolarHBondContact O-N 3.14Å; T854-Y856 PolarHBondContact OG1-N 3.33Å; Y856-A858 PolarHBondContact O-N 3.47Å
857	F	96.9	Very high	94.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.1	177.9	52.4	-94.2	0	0	0	113.9	A623 Y801 L804 V805 R808 M855	A623-F857 HydrophobicContact CB-CD1 3.93Å; A623-F857 HydrophobicContact CB-CE1 3.67Å; Y801-F857 HydrophobicContact CD1-CD2 4.22Å; Y801-F857 AromaticContact CD1-CE2 3.7Å; Y801-F857 HydrophobicContact CD1-CE2 3.7Å; Y801-F857 HydrophobicContact CD2-CE2 4.43Å; Y801-F857 HydrophobicContact CE1-CE2 4.43Å; Y801-F857 HydrophobicContact CG-CD2 4.49Å; Y801-F857 AromaticContact CG-CE2 3.7Å; Y801-F857 HydrophobicContact CG-CE2 3.7Å; Y801-F857 HydrophobicContact CG-CZ 4.5Å; L804-F857 HydrophobicContact CB-CB 4.28Å; L804-F857 HydrophobicContact CB-CD2 4.38Å; V805-F857 HydrophobicContact CG2-CB 3.78Å; V805-F857 HydrophobicContact CG2-CD1 3.44Å; V805-F857 VanDerWaalsContact CG2-CD1 3.44Å; V805-F857 HydrophobicContact CG2-CD2 4.14Å; V805-F857 HydrophobicContact CG2-CE1 4.01Å; V805-F857 HydrophobicContact CG2-CG 3.51Å; R808-F857 PolarHBondContact NH2-O 3.42Å; M855-F857 HydrophobicContact CB-CE1 4.35Å; M855-F857 HydrophobicContact CB-CE2 4.43Å; M855-F857 HydrophobicContact CB-CZ 4.08Å; M855-F857 HydrophobicContact CE-CE2 3.97Å; M855-F857 HydrophobicContact CE-CZ 4.07Å; M855-F857 HydrophobicContact CG-CE1 4.36Å; M855-F857 HydrophobicContact CG-CE2 4.48Å; M855-F857 HydrophobicContact CG-CZ 3.87Å; M855-F857 PolarHBondContact O-N 2.9Å; M855-F857 VanDerWaalsContact O-N 3.09Å
858	A	91.9	Very high	94.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	23%	0.228	C	C	.	.			trans	-65.2	0	-175.8	0	0	0	0	0	116	K562 V565 K566 R788 M855 Y856	K562-A858 PolarHBondContact NZ-O 3.08Å; K562-A858 PolarHBondContact NZ-OXT 2.92Å; V565-A858 HydrophobicContact CG1-CB 4.02Å; K566-A858 WeakPolarHBondContact CE-O 3.46Å; K566-A858 HydrophobicContact CG-CB 4.45Å; K566-A858 PolarHBondContact NZ-O 3.35Å; R788-A858 WeakPolarHBondContact CD-OXT 3.45Å; R788-A858 WeakPolarHBondContact CG-OXT 3.34Å; R788-A858 PolarHBondContact NE-OXT 3.38Å; M855-A858 HydrophobicContact CB-CB 4.41Å; M855-A858 WeakPolarHBondContact O-CB 3.45Å; M855-A858 PolarHBondContact O-N 2.92Å; Y856-A858 PolarHBondContact O-N 3.47Å

Retrieved 858 of 858 residues in 252.8 ms (Link to these results)

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