A0A087XJP6_POEFO Loading...

Protein argonaute-1

AlphaFold DB , UniProt , Accession A0A087XJP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 858 aa.

						>A0A087XJP6_POEFO|A0A087XJP6
MEPGPSGAVPLGAFPPPLQQVFHAPRRPGMGTVGKPIKLLANYFEVEIPKMDVYHYEVDIKPDKCPRRVNREVVEYMVQHFKPQLFGDRKPVYDGKKNIYTVLALPIGSEKVDFEVTIPGEGKDRIFKVSIRWLAKVSWRLLQETLVSGRLQVPLDSVQALDVAMRHLASMRYTPVGRSFFSPPEGYYHPLGGGREVWFGFHQSVRPAMWKMMLNIDVSATAFYKAQPVIEFMCEVLDIRNIDEQPKTLTDSQRVRFTKEIKGLKVEVTHCGQMKRKYRVCNVTRRPASHQTFPLQLESGQTVECTVAQYFKQKYNLQLKYPHLPCLQVGQEQKHTYLPLEVCNIVAGQRCIKKLTDNQTSTMIKATARSAPDRQEEISRLMKNANFNLDPYIQEFGIKVKDDMAEVTGRVLPAPILQYGGRNRAIATPNQGVWDMRGKQFYNGIEIKVWAIACFAPQKQCREEVLKNFTDQLRKISKDAGMPIQGQPCFCKYAQGADSVEPMFRHLKNTYSGLQLIIVILPGKTPVYAEVKRVGDTLLGMATQCVQVKNVVKTSPQTLSNLCLKINVKLGGINNILVPHQRSAVFQQPVIFLGADVTHPPAGDGKKPSITAVVGSMDAHPSRYCATVRVQRPRQEVIQDLASMVRELLIQFYKSTRYKPTRIIFYRDGVSEGQFRQVLYYELLAIREACISLEKEYQPGITYIVVQKRHHTRLFCADRNERVGRSGNIPAGTTVDTDITHPYEFDFYLCSHAGIQGTSRPSHYHVLWDDNCFTADEFQLLTYQLCHTYVRCTRSVSIPAPAYYAHLVAFRARYHLVDKEHDSAEGSHVSGQSNGRDPQALAKAVQIHHDTLRTMYFA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	27.1	Very low	244 Å²	244	134.4 Å²	134.4	100%	1.202	85%	0.849	S	S	*	*				0	99.1	0	-73.1	-175.6	-137.9	0	0	107.4
2	E	23.3	Very low	27	Very low	192 Å²	192	129.1 Å²	129.1	90%	0.897	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-67.6	140.7	175	-65.4	177	140.3	0	0	110.4
3	P	28.4	Very low	27.1	Very low	129 Å²	129	126.6 Å²	126.6	84%	0.838	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-85.9	121.6	161.6	26.6	-15.7	0	0	0	109.2
4	G	25	Very low	27.2	Very low	66 Å²	66	131.6 Å²	131.6	68%	0.68	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-66.3	168.2	-174.2	0	0	0	0	0	115.7	S6	G4-S6 PolarHBondContact O-N 2.78Å
5	P	29.3	Very low	27.7	Very low	135 Å²	135	129.2 Å²	129.2	88%	0.877	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.6	127.2	-173.2	28.7	-32.2	0	0	0	111.6	G7	P5-G7 PolarHBondContact O-N 2.85Å
6	S	27.9	Very low	28	Very low	121 Å²	121	127.9 Å²	127.9	85%	0.846	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65.4	116.6	171.3	41.7	0	0	0	0	110.4	G4	G4-S6 PolarHBondContact O-N 2.78Å
7	G	24.2	Very low	28.9	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-57.1	136.5	-179.2	0	0	0	0	0	113.1	P5 V9	P5-G7 PolarHBondContact O-N 2.85Å; G7-V9 PolarHBondContact O-N 3.34Å
8	A	26.2	Very low	30.3	Very low	99 Å²	99	124.8 Å²	124.8	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-60.1	125	170.5	0	0	0	0	0	110.2
9	V	24.1	Very low	31.5	Very low	134 Å²	134	127.3 Å²	127.3	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.1	125.9	169.9	-179	0	0	0	0	108.3	G7 L11	G7-V9 PolarHBondContact O-N 3.34Å; V9-L11 PolarHBondContact O-N 2.87Å
10	P	25.3	Very low	32.7	Very low	113 Å²	113	126 Å²	126	73%	0.734	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62	130.1	178.8	-16.3	28.5	0	0	0	109.8	G12	P10-G12 PolarHBondContact O-N 2.91Å
11	L	27.6	Very low	34.5	Very low	175 Å²	175	124.4 Å²	124.4	92%	0.916	77%	0.767	S	S	*	*			trans	-52.1	114.1	163.7	-79	155.4	0	0	0	107.6	V9 A13	V9-L11 PolarHBondContact O-N 2.87Å; L11-A13 PolarHBondContact O-N 3.03Å
12	G	26.5	Very low	36.9	Very low	71 Å²	71	114.4 Å²	114.4	73%	0.732	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-48	131.1	-175.5	0	0	0	0	0	111.8	P10 F14	P10-G12 PolarHBondContact O-N 2.91Å; G12-F14 PolarHBondContact O-N 2.71Å
13	A	27.9	Very low	40	Very low	97 Å²	97	109.8 Å²	109.8	80%	0.802	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-46.4	132.6	174.5	0	0	0	0	0	110.5	L11	L11-A13 PolarHBondContact O-N 3.03Å
14	F	29.4	Very low	43	Very low	196 Å²	196	104.9 Å²	104.9	86%	0.86	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-51.7	134.2	166.1	-73.6	-90.9	0	0	0	108.4	G12	G12-F14 PolarHBondContact O-N 2.71Å
15	P	33.8	Very low	46.4	Very low	96 Å²	96	103.3 Å²	103.3	62%	0.623	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-56.6	146.2	171.2	23.9	-30.6	0	0	0	108.8
16	P	32.7	Very low	49.5	Very low	108 Å²	108	104 Å²	104	70%	0.701	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-53.1	152.7	176.6	22.4	-31.8	0	0	0	110.1	L18	P16-L18 PolarHBondContact O-N 3.44Å
17	P	43.1	Very low	52.7	Low	121 Å²	121	99.8 Å²	99.8	79%	0.786	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-53.6	119.9	177.2	21.3	-30.2	0	0	0	108.5	Q19	P17-Q19 PolarHBondContact O-N 3.33Å
18	L	53.8	Low	56.2	Low	80 Å²	80	100 Å²	100	42%	0.419	58%	0.582	S	S	.	*			trans	-53.5	101.8	174.7	-78.6	159.4	0	0	0	107.6	P16 Q20 Y680	P16-L18 PolarHBondContact O-N 3.44Å; L18-Q20 PolarHBondContact O-N 3.08Å; L18-Y680 HydrophobicContact CD2-CD1 3.63Å; L18-Y680 HydrophobicContact CD2-CD2 4.11Å; L18-Y680 HydrophobicContact CD2-CE1 3.57Å; L18-Y680 HydrophobicContact CD2-CE2 4.05Å; L18-Y680 HydrophobicContact CD2-CG 3.9Å
19	Q	53.9	Low	59.5	Low	171 Å²	171	96.8 Å²	96.8	80%	0.799	56%	0.559	S	S	*	*			trans	-57.2	128.5	169.4	-84	178.3	-22.3	0	0	107.1	P17 V21	P17-Q19 PolarHBondContact O-N 3.33Å; Q19-V21 PolarHBondContact O-N 3.47Å
20	Q	55.1	Low	62.9	Low	101 Å²	101	94.7 Å²	94.7	47%	0.472	54%	0.541	S	S	.	.			trans	-65.6	95.7	-175.2	-73.3	-179.9	-10.3	0	0	109.9	L18 H23	L18-Q20 PolarHBondContact O-N 3.08Å; Q20-H23 PolarHBondContact OE1-CE1 2.9Å; Q20-H23 VanDerWaalsContact OE1-CE1 3.23Å
21	V	70.4	Confident	66.4	Low	94 Å²	94	89.7 Å²	89.7	57%	0.57	51%	0.51	S	S	*	.			trans	-92.8	-30.5	173.6	-177.2	0	0	0	0	111.5	Q19	Q19-V21 PolarHBondContact O-N 3.47Å
22	F	86.2	Confident	69.7	Low	34 Å²	34	86.7 Å²	86.7	15%	0.149	50%	0.5	C	S	.	.			trans	-118.4	125.9	-177.6	-53.4	-59.2	0	0	0	111.5	L679 Y680 L683 L684 W768	F22-L679 HydrophobicContact CB-CD2 4.07Å; F22-Y680 AromaticContact CD2-CD2 3.92Å; F22-Y680 HydrophobicContact CD2-CD2 3.92Å; F22-Y680 AromaticContact CE2-CD2 3.95Å; F22-Y680 HydrophobicContact CE2-CD2 3.95Å; F22-Y680 HydrophobicContact CE2-CE2 4.33Å; F22-L683 HydrophobicContact CD1-CD2 3.96Å; F22-L683 HydrophobicContact CD2-CD2 4.38Å; F22-L683 HydrophobicContact CE1-CD2 4.13Å; F22-L683 HydrophobicContact CG-CD2 4.11Å; F22-L683 HydrophobicContact CZ-CD2 4.41Å; F22-L684 HydrophobicContact CE2-CD1 4.38Å; F22-L684 HydrophobicContact CE2-CD2 4.04Å; F22-L684 HydrophobicContact CE2-CG 3.94Å; F22-L684 HydrophobicContact CZ-CD2 3.78Å; F22-L684 HydrophobicContact CZ-CG 4.2Å; F22-W768 HydrophobicContact CB-CE3 4.32Å; F22-W768 HydrophobicContact CB-CZ3 4.16Å; F22-W768 HydrophobicContact CD1-CE3 4.28Å; F22-W768 HydrophobicContact CD1-CH2 4.03Å; F22-W768 AromaticContact CD1-CZ3 3.77Å; F22-W768 HydrophobicContact CD1-CZ3 3.77Å; F22-W768 HydrophobicContact CG-CZ3 4.41Å
23	H	88.6	Confident	73.1	Confident	95 Å²	95	85.8 Å²	85.8	44%	0.44	48%	0.48	S	S	.	.			trans	-113	142.8	173.6	-63.8	-83.6	0	0	0	109.9	Q20 Q152	Q20-H23 PolarHBondContact OE1-CE1 2.9Å; Q20-H23 VanDerWaalsContact OE1-CE1 3.23Å; H23-Q152 PolarHBondContact CE1-NE2 3.28Å; H23-Q152 PolarHBondContact ND1-NE2 2.77Å
24	A	92.8	Very high	76.4	Confident	26 Å²	26	82.4 Å²	82.4	22%	0.215	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-61.3	138.6	171.4	0	0	0	0	0	109.9	E744 L767	A24-E744 HydrophobicContact CB-CG 4.2Å; A24-L767 WeakPolarHBondContact CA-O 3.09Å; A24-L767 HydrophobicContact CB-CD2 4.38Å
25	P	95.2	Very high	79.7	Confident	32 Å²	32	79.6 Å²	79.6	21%	0.208	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.4	178.2	26.8	-34.4	0	0	0	110.5	F745 V766 L767 D769	P25-F745 PolarHBondContact O-N 2.98Å; P25-V766 WeakPolarHBondContact CD-O 3.5Å; P25-V766 HydrophobicContact CG-CB 4.39Å; P25-V766 HydrophobicContact CG-CG1 3.85Å; P25-L767 VanDerWaalsContact CD-C 3.49Å; P25-D769 HydrophobicContact CG-CB 4.25Å
26	R	94.6	Very high	82.8	Confident	150 Å²	150	79.2 Å²	79.2	57%	0.566	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-68.5	151.3	169.1	-62.3	-179.9	103.8	-174.5	2	109.1	P28 G149 Y743	R26-P28 WeakPolarHBondContact O-CD 3.24Å; R26-G149 PolarHBondContact NH2-O 3.49Å; R26-Y743 CarbonylContact C-O 3.57Å; R26-Y743 WeakPolarHBondContact CA-O 3.35Å
27	R	96	Very high	85.9	Confident	32 Å²	32	74.2 Å²	74.2	12%	0.121	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-55.7	122	175.3	-170.6	-174.6	-54.2	-77.4	-6.3	109.6	G29 M30 D736 H741 Y743 E744 F745 D746	R27-G29 VanDerWaalsContact C-N 3.26Å; R27-G29 VanDerWaalsContact CG-O 3.25Å; R27-G29 WeakPolarHBondContact CG-O 3.4Å; R27-G29 PolarHBondContact O-N 3.28Å; R27-M30 WeakPolarHBondContact CD-SD 3.43Å; R27-D736 PolarHBondContact NH1-O 3.13Å; R27-H741 PolarHBondContact NH2-O 2.94Å; R27-Y743 PolarHBondContact N-O 2.75Å; R27-E744 PolarHBondContact NH2-O 3.18Å; R27-F745 HydrophobicContact CG-CD1 4.38Å; R27-D746 IonicContact CZ-OD1 2.65Å; R27-D746 PolarHBondContact NH1-O 2.89Å; R27-D746 IonicContact NH1-OD1 3.62Å; R27-D746 IonicContact NH2-OD1 2.75Å; R27-D746 PolarHBondContact NH2-OD1 2.92Å
28	P	96.5	Very high	88.6	Confident	75 Å²	75	75.3 Å²	75.3	49%	0.487	40%	0.399	S	S	.	.			trans	-73.5	-20.9	-176.7	29	-35.3	0	0	0	112.6	R26 F745 F773	R26-P28 WeakPolarHBondContact O-CD 3.24Å; P28-F745 HydrophobicContact CG-CD2 4.03Å; P28-F745 HydrophobicContact CG-CE1 4.42Å; P28-F745 HydrophobicContact CG-CE2 3.77Å; P28-F745 HydrophobicContact CG-CG 4.48Å; P28-F745 HydrophobicContact CG-CZ 3.99Å; P28-F773 VanDerWaalsContact CG-O 3.25Å; P28-F773 WeakPolarHBondContact CG-O 3.44Å
29	G	95.7	Very high	90.7	Very high	32 Å²	32	71.5 Å²	71.5	33%	0.33	38%	0.379	S	S	.	.			trans	168.4	179.7	179.9	0	0	0	0	0	110.3	R27 A775	R27-G29 VanDerWaalsContact C-N 3.26Å; R27-G29 VanDerWaalsContact CG-O 3.25Å; R27-G29 WeakPolarHBondContact CG-O 3.4Å; R27-G29 PolarHBondContact O-N 3.28Å; G29-A775 WeakPolarHBondContact O-CB 3.47Å
30	M	96.3	Very high	92.8	Very high	89 Å²	89	64.8 Å²	64.8	44%	0.438	35%	0.348	S	S	.	.			trans	-93.1	146.5	169	-55.5	-54.9	-177.3	0	0	109.3	R27 M209 T737	R27-M30 WeakPolarHBondContact CD-SD 3.43Å; M30-M209 HydrophobicContact CE-CE 3.43Å; M30-M209 VanDerWaalsContact CE-CE 3.43Å; M30-M209 HydrophobicContact CE-SD 3.66Å; M30-M209 HydrophobicContact SD-CE 4.17Å; M30-T737 HydrophobicContact CE-CG2 4.3Å; M30-T737 HydrophobicContact CG-CG2 4.2Å; M30-T737 HydrophobicContact SD-CG2 3.85Å
31	G	97.5	Very high	94.9	Very high	8 Å²	8	60 Å²	60	8%	0.082	33%	0.326	C	S	.	.			trans	-70.3	146.9	171.7	0	0	0	0	0	111.1	R410 D736 D776	G31-R410 VanDerWaalsContact O-CZ 3.22Å; G31-R410 PolarHBondContact O-NE 3.26Å; G31-D736 PolarHBondContact N-OD2 3.12Å; G31-D776 WeakPolarHBondContact CA-OD1 3.37Å
32	T	98	Very high	96.2	Very high	113 Å²	113	55.5 Å²	55.5	69%	0.693	30%	0.299	S	S	*	.			trans	-120.7	-17.9	-175.7	63.6	0	0	0	0	112.3	D776	T32-D776 PolarHBondContact N-OD1 2.88Å; T32-D776 PolarHBondContact N-OD2 3.15Å; T32-D776 PolarHBondContact OG1-OD2 2.96Å
33	V	97.8	Very high	96.8	Very high	51 Å²	51	53.9 Å²	53.9	31%	0.309	29%	0.292	S	S	.	.			trans	-80.5	141.3	-177.4	177.9	0	0	0	0	111.1	R410 L412 P413 D776 L780	V33-R410 WeakPolarHBondContact O-CD 3.06Å; V33-R410 PolarHBondContact O-NH1 3.37Å; V33-L412 WeakPolarHBondContact O-CD2 3.4Å; V33-P413 HydrophobicContact CG1-CG 4.19Å; V33-D776 WeakPolarHBondContact CB-OD1 3.48Å; V33-D776 HydrophobicContact CG2-CB 4.1Å; V33-D776 PolarHBondContact N-OD1 3.43Å; V33-L780 HydrophobicContact CB-CD1 4.49Å; V33-L780 HydrophobicContact CG1-CD1 4.23Å; V33-L780 HydrophobicContact CG1-CD2 4.27Å; V33-L780 HydrophobicContact CG2-CD1 4.46Å
34	G	97.7	Very high	97.3	Very high	26 Å²	26	49.4 Å²	49.4	27%	0.268	27%	0.271	S	S	.	.	S	Bend	trans	109.5	155.9	174.4	0	0	0	0	0	113.1	V411	G34-V411 CarbonylContact C-O 3.6Å; G34-V411 WeakPolarHBondContact CA-O 3.44Å
35	K	98.1	Very high	97.5	Very high	138 Å²	138	49.9 Å²	49.9	60%	0.6	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.7	179.8	-176.5	-166.8	168.9	-163.7	0	109.4	R410 V411	K35-R410 CarbonylContact O-C 3.59Å; K35-R410 WeakPolarHBondContact O-CA 3.43Å; K35-V411 PolarHBondContact N-O 3.02Å; K35-V411 PolarHBondContact O-N 3.35Å
36	P	98.4	Very high	97.6	Very high	88 Å²	88	48.6 Å²	48.6	57%	0.571	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	142.4	173.2	-23.8	34	0	0	0	112.1	T408 G409	P36-T408 HydrophobicContact CB-CG2 4.35Å; P36-G409 CarbonylContact C-O 3.59Å; P36-G409 WeakPolarHBondContact CA-O 3.28Å
37	I	98.6	Very high	97.6	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.5	175.6	177.7	167.3	0	0	0	109.4	L39 G409 V411 E721 P730 T733	I37-L39 HydrophobicContact CD1-CD2 3.96Å; I37-L39 HydrophobicContact CG1-CD2 3.84Å; I37-L39 HydrophobicContact CG1-CG 4.38Å; I37-L39 HydrophobicContact CG2-CD1 4.39Å; I37-L39 HydrophobicContact CG2-CD2 4.33Å; I37-L39 HydrophobicContact CG2-CG 4.29Å; I37-G409 PolarHBondContact N-O 2.9Å; I37-G409 PolarHBondContact O-N 2.98Å; I37-V411 HydrophobicContact CB-CG2 4.05Å; I37-V411 HydrophobicContact CD1-CG2 4.25Å; I37-V411 HydrophobicContact CG2-CG2 3.71Å; I37-E721 HydrophobicContact CD1-CB 4.24Å; I37-E721 VanDerWaalsContact CD1-OE2 3.3Å; I37-E721 WeakPolarHBondContact CD1-OE2 3.08Å; I37-E721 WeakPolarHBondContact CG1-OE2 3.34Å; I37-P730 HydrophobicContact CD1-CG 3.78Å; I37-T733 HydrophobicContact CG2-CG2 4.22Å
38	K	98.7	Very high	97.5	Very high	143 Å²	143	45.9 Å²	45.9	62%	0.622	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	127	176.2	-68.2	-172.7	177.5	-173.7	0	110.4	A717	K38-A717 HydrophobicContact CB-CB 3.84Å; K38-A717 WeakPolarHBondContact O-CB 3.5Å; K38-A717 PolarHBondContact O-N 2.99Å
39	L	98.8	Very high	97.4	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.5	-174.8	-57.9	174.5	0	0	0	111.6	I37 E406 V407 L714 F715 I729 T733 V735	I37-L39 HydrophobicContact CD1-CD2 3.96Å; I37-L39 HydrophobicContact CG1-CD2 3.84Å; I37-L39 HydrophobicContact CG1-CG 4.38Å; I37-L39 HydrophobicContact CG2-CD1 4.39Å; I37-L39 HydrophobicContact CG2-CD2 4.33Å; I37-L39 HydrophobicContact CG2-CG 4.29Å; L39-E406 WeakPolarHBondContact O-CA 3.23Å; L39-V407 WeakPolarHBondContact CA-O 3.44Å; L39-V407 WeakPolarHBondContact CB-O 3.26Å; L39-V407 PolarHBondContact N-O 2.81Å; L39-V407 PolarHBondContact O-N 2.89Å; L39-L714 HydrophobicContact CD1-CD1 4.4Å; L39-F715 CarbonylContact C-O 3.56Å; L39-F715 VanDerWaalsContact CA-O 3.22Å; L39-F715 WeakPolarHBondContact CA-O 3.38Å; L39-I729 HydrophobicContact CD2-CG2 3.63Å; L39-T733 HydrophobicContact CD1-CG2 3.59Å; L39-T733 HydrophobicContact CD2-CG2 4.26Å; L39-V735 HydrophobicContact CD1-CG2 3.59Å
40	L	98.8	Very high	97.3	Very high	29 Å²	29	49.1 Å²	49.1	15%	0.152	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.9	165	-65.4	169	0	0	0	108.5	M404 A405 E406 L714 F715 A717	L40-M404 HydrophobicContact CB-CB 4.15Å; L40-M404 HydrophobicContact CB-SD 4.18Å; L40-M404 HydrophobicContact CD2-CB 4.28Å; L40-A405 WeakPolarHBondContact CA-O 3.36Å; L40-E406 HydrophobicContact CD2-CG 3.73Å; L40-L714 WeakPolarHBondContact O-CA 3.28Å; L40-F715 HydrophobicContact CB-CB 4.42Å; L40-F715 PolarHBondContact N-O 2.85Å; L40-F715 WeakPolarHBondContact O-CD2 3.18Å; L40-F715 PolarHBondContact O-N 3.15Å; L40-A717 HydrophobicContact CG-CB 4.17Å
41	A	98.6	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.7	173.3	0	0	0	0	0	109.8	Y43 M404 A405 V407 R713 L714 I739	A41-Y43 HydrophobicContact CB-CD2 4.37Å; A41-Y43 PolarHBondContact O-N 3.44Å; A41-M404 WeakPolarHBondContact O-CB 3.46Å; A41-M404 WeakPolarHBondContact O-CG 3.33Å; A41-A405 PolarHBondContact N-O 3.41Å; A41-A405 PolarHBondContact O-N 3.1Å; A41-V407 HydrophobicContact CB-CG2 4.14Å; A41-R713 WeakPolarHBondContact CA-O 3.38Å; A41-L714 HydrophobicContact CB-CD2 3.98Å; A41-I739 HydrophobicContact CB-CD1 3.92Å; A41-I739 HydrophobicContact CB-CG2 4Å
42	N	98.4	Very high	97.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-74.4	45.4	172.6	68	-29.4	0	0	0	113	N215 I216 I378 M404 H711 T712 R713 F715	N42-N215 PolarHBondContact ND2-ND2 2.84Å; N42-N215 WeakPolarHBondContact O-CA 3.39Å; N42-N215 PolarHBondContact O-ND2 3.37Å; N42-N215 PolarHBondContact OD1-ND2 2.93Å; N42-I216 VanDerWaalsContact CB-O 3.32Å; N42-I216 WeakPolarHBondContact CB-O 3.3Å; N42-I216 PolarHBondContact ND2-O 2.93Å; N42-I216 PolarHBondContact O-N 3.25Å; N42-I378 HydrophobicContact CB-CD1 4.07Å; N42-I378 HydrophobicContact CB-CG2 4.34Å; N42-M404 HydrophobicContact CB-CE 4.23Å; N42-H711 PolarHBondContact ND2-O 2.97Å; N42-T712 WeakPolarHBondContact OD1-CA 3.28Å; N42-R713 PolarHBondContact N-O 3.46Å; N42-R713 PolarHBondContact OD1-N 2.68Å; N42-R713 PolarHBondContact OD1-O 2.91Å; N42-F715 HydrophobicContact CB-CE2 4.31Å
43	Y	98.4	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.9	178	-83.4	-130.2	0	0	0	106.2	A41 R206 M213 L214 N215 A405 T712 I739 Y748	A41-Y43 HydrophobicContact CB-CD2 4.37Å; A41-Y43 PolarHBondContact O-N 3.44Å; Y43-R206 WeakPolarHBondContact OH-CD 3.42Å; Y43-R206 PolarHBondContact OH-NE 3.24Å; Y43-M213 HydrophobicContact CD1-CB 3.44Å; Y43-M213 VanDerWaalsContact CD1-CB 3.44Å; Y43-M213 HydrophobicContact CD1-CG 3.8Å; Y43-M213 HydrophobicContact CE1-CB 4.15Å; Y43-M213 HydrophobicContact CG-CB 4.27Å; Y43-L214 WeakPolarHBondContact CA-O 3.44Å; Y43-N215 HydrophobicContact CD2-CB 4.08Å; Y43-N215 WeakPolarHBondContact CD2-ND2 3.43Å; Y43-N215 HydrophobicContact CE2-CB 3.8Å; Y43-N215 VanDerWaalsContact CE2-ND2 3.3Å; Y43-N215 WeakPolarHBondContact CE2-ND2 3.48Å; Y43-A405 WeakPolarHBondContact O-CB 3.26Å; Y43-A405 PolarHBondContact O-N 3.33Å; Y43-T712 HydrophobicContact CD2-CG2 4.43Å; Y43-T712 HydrophobicContact CE2-CG2 3.65Å; Y43-T712 PolarHBondContact OH-OG1 2.92Å; Y43-I739 HydrophobicContact CD1-CB 3.78Å; Y43-I739 HydrophobicContact CD1-CG2 3.76Å; Y43-I739 HydrophobicContact CE1-CB 3.92Å; Y43-I739 HydrophobicContact CE1-CG2 4.41Å; Y43-I739 HydrophobicContact CG-CB 4.25Å; Y43-I739 HydrophobicContact CG-CG2 3.89Å; Y43-Y748 PolarHBondContact OH-OH 2.84Å
44	F	97.9	Very high	97.1	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.7	-176.7	-61.4	-85.6	0	0	0	107	V46 L214 I216 I378 M382 V400 K401 D402 D403 M404	F44-V46 PolarHBondContact O-N 3.41Å; F44-L214 HydrophobicContact CB-CB 4.27Å; F44-L214 WeakPolarHBondContact CD2-O 3.19Å; F44-L214 PolarHBondContact N-O 2.73Å; F44-L214 PolarHBondContact O-N 2.85Å; F44-I216 HydrophobicContact CD2-CB 4.2Å; F44-I216 HydrophobicContact CD2-CG1 4.14Å; F44-I216 HydrophobicContact CE2-CB 3.94Å; F44-I216 HydrophobicContact CE2-CG1 4.35Å; F44-I378 HydrophobicContact CE2-CG2 4.07Å; F44-I378 HydrophobicContact CZ-CG2 3.93Å; F44-M382 HydrophobicContact CB-CE 4.02Å; F44-M382 HydrophobicContact CD1-CE 3.72Å; F44-M382 HydrophobicContact CD1-CG 4.02Å; F44-M382 HydrophobicContact CD1-SD 4.27Å; F44-M382 HydrophobicContact CD2-CE 4.07Å; F44-M382 HydrophobicContact CD2-CG 4.15Å; F44-M382 HydrophobicContact CD2-SD 3.84Å; F44-M382 HydrophobicContact CE1-CB 4.34Å; F44-M382 HydrophobicContact CE1-CE 4.25Å; F44-M382 HydrophobicContact CE1-CG 3.55Å; F44-M382 HydrophobicContact CE1-SD 4.34Å; F44-M382 HydrophobicContact CE2-CG 3.71Å; F44-M382 HydrophobicContact CE2-SD 3.94Å; F44-M382 HydrophobicContact CG-CE 3.64Å; F44-M382 HydrophobicContact CG-CG 4.31Å; F44-M382 HydrophobicContact CG-SD 4.04Å; F44-M382 HydrophobicContact CZ-CG 3.39Å; F44-M382 HydrophobicContact CZ-SD 4.2Å; F44-V400 HydrophobicContact CB-CG1 4.05Å; F44-K401 WeakPolarHBondContact CB-O 3.46Å; F44-K401 WeakPolarHBondContact CD1-O 3.09Å; F44-D402 VanDerWaalsContact CE1-O 3.27Å; F44-D402 WeakPolarHBondContact CE1-O 3.21Å; F44-D403 VanDerWaalsContact CD1-O 3.29Å; F44-D403 WeakPolarHBondContact CD1-O 2.9Å; F44-M404 HydrophobicContact CE1-CB 4.46Å; F44-M404 HydrophobicContact CE1-CG 3.87Å; F44-M404 HydrophobicContact CZ-CE 4.4Å; F44-M404 HydrophobicContact CZ-CG 3.67Å
45	E	97.1	Very high	97.1	Very high	36 Å²	36	43.8 Å²	43.8	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.4	-176.3	-67.4	174.9	-129	0	0	110.6	K211 M213 V400 K401	E45-K211 HydrophobicContact CG-CD 4.34Å; E45-K211 WeakPolarHBondContact OE2-CD 3.27Å; E45-K211 IonicContact OE2-NZ 3.73Å; E45-K211 PolarHBondContact OE2-NZ 2.77Å; E45-M213 HydrophobicContact CB-SD 4.47Å; E45-M213 HydrophobicContact CG-CE 4.04Å; E45-M213 HydrophobicContact CG-SD 3.93Å; E45-V400 WeakPolarHBondContact O-CA 3.45Å; E45-K401 HydrophobicContact CB-CB 4.1Å; E45-K401 HydrophobicContact CB-CD 4.33Å; E45-K401 HydrophobicContact CG-CD 4.42Å; E45-K401 PolarHBondContact O-N 2.82Å; E45-K401 IonicContact OE1-NZ 2.71Å; E45-K401 PolarHBondContact OE1-NZ 2.82Å; E45-K401 VanDerWaalsContact OE1-NZ 3.16Å
46	V	96.9	Very high	97	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.6	177.4	-174.4	0	0	0	0	109	F44 I48 M165 M212 L214 I398 K399	F44-V46 PolarHBondContact O-N 3.41Å; V46-I48 HydrophobicContact CG1-CG2 3.89Å; V46-M165 HydrophobicContact CG1-SD 4.25Å; V46-M165 HydrophobicContact CG2-CE 4.22Å; V46-M165 HydrophobicContact CG2-SD 4.3Å; V46-M212 HydrophobicContact CB-CB 4.07Å; V46-M212 PolarHBondContact N-O 2.65Å; V46-L214 HydrophobicContact CG2-CB 3.65Å; V46-I398 HydrophobicContact CG1-CG2 3.59Å; V46-K399 CarbonylContact C-O 3.59Å; V46-K399 WeakPolarHBondContact CA-O 3.42Å
47	E	95.6	Very high	97	Very high	112 Å²	112	35.1 Å²	35.1	52%	0.523	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.1	169	-59.4	-175.8	165.4	0	0	109	I398 K399	E47-I398 WeakPolarHBondContact O-CA 3.43Å; E47-K399 HydrophobicContact CB-CB 4.19Å; E47-K399 PolarHBondContact N-O 3Å; E47-K399 PolarHBondContact O-N 2.94Å
48	I	94.3	Very high	96.8	Very high	13 Å²	13	35 Å²	35	7%	0.067	16%	0.164	C	C	.	.			trans	-117.4	144.7	178.5	64.4	-178.5	0	0	0	110.1	V46 W139 L142 Q143 L161 M212	V46-I48 HydrophobicContact CG1-CG2 3.89Å; I48-W139 HydrophobicContact CB-CE3 4.36Å; I48-W139 HydrophobicContact CD1-CB 4.39Å; I48-L142 HydrophobicContact CD1-CD2 3.83Å; I48-L142 HydrophobicContact CD1-CG 4.24Å; I48-Q143 HydrophobicContact CD1-CG 3.7Å; I48-Q143 HydrophobicContact CG1-CG 3.67Å; I48-Q143 PolarHBondContact O-NE2 2.82Å; I48-L161 HydrophobicContact CG2-CD1 3.93Å; I48-L161 HydrophobicContact CG2-CD2 3.78Å; I48-M212 HydrophobicContact CD1-CG 4.1Å
49	P	94.5	Very high	96.7	Very high	35 Å²	35	30.1 Å²	30.1	23%	0.227	15%	0.145	C	C	.	.			trans	-75.4	151.3	176.4	29.5	-34.2	0	0	0	112	M51 W139 F396	P49-M51 VanDerWaalsContact C-N 3.26Å; P49-M51 HydrophobicContact CB-CG 4.28Å; P49-M51 HydrophobicContact CB-SD 4.13Å; P49-M51 HydrophobicContact CG-CE 3.61Å; P49-M51 HydrophobicContact CG-CG 3.94Å; P49-M51 HydrophobicContact CG-SD 3.6Å; P49-M51 PolarHBondContact O-N 3.21Å; P49-W139 HydrophobicContact CG-CE3 4.06Å; P49-W139 HydrophobicContact CG-CZ3 4.16Å; P49-F396 VanDerWaalsContact CG-O 3.25Å; P49-F396 WeakPolarHBondContact CG-O 3.26Å
50	K	93.3	Very high	96.6	Very high	141 Å²	141	30.4 Å²	30.4	61%	0.613	15%	0.147	S	C	*	.	S	Bend	trans	-79.6	68.5	174.9	-72.1	-178.3	-178.5	-176.1	0	111.6
51	M	94.3	Very high	96.3	Very high	47 Å²	47	34.8 Å²	34.8	23%	0.232	16%	0.164	C	C	.	.			trans	-132	169.6	-176.9	72.1	-173.3	-173.3	0	0	112.9	P49 V53 V102 W139 F396	P49-M51 VanDerWaalsContact C-N 3.26Å; P49-M51 HydrophobicContact CB-CG 4.28Å; P49-M51 HydrophobicContact CB-SD 4.13Å; P49-M51 HydrophobicContact CG-CE 3.61Å; P49-M51 HydrophobicContact CG-CG 3.94Å; P49-M51 HydrophobicContact CG-SD 3.6Å; P49-M51 PolarHBondContact O-N 3.21Å; M51-V53 HydrophobicContact CE-CG2 4.1Å; M51-V102 HydrophobicContact CE-CB 4.44Å; M51-V102 HydrophobicContact CE-CG1 3.76Å; M51-W139 HydrophobicContact CE-CE3 3.89Å; M51-W139 HydrophobicContact CE-CZ3 3.61Å; M51-W139 HydrophobicContact CG-CE3 4.41Å; M51-W139 WeakPolarHBondContact O-CB 2.92Å; M51-W139 PolarHBondContact O-N 2.88Å; M51-F396 HydrophobicContact CE-CD1 4.32Å; M51-F396 VanDerWaalsContact CE-O 3.31Å; M51-F396 WeakPolarHBondContact CE-O 3.26Å
52	D	95.6	Very high	96	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.8	165.8	-65.2	-27.3	0	0	0	109.7	V137 S138	D52-V137 WeakPolarHBondContact CA-O 3.35Å; D52-S138 WeakPolarHBondContact OD1-CA 3.48Å; D52-S138 VanDerWaalsContact OD1-CB 3.24Å; D52-S138 WeakPolarHBondContact OD1-CB 3.44Å; D52-S138 PolarHBondContact OD1-OG 3.38Å
53	V	96.9	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.8	174.7	175.5	0	0	0	0	108.7	M51 Y100 V137 W139 F396	M51-V53 HydrophobicContact CE-CG2 4.1Å; V53-Y100 HydrophobicContact CG1-CD1 4.05Å; V53-Y100 HydrophobicContact CG1-CG 4.37Å; V53-V137 HydrophobicContact CB-CB 4.39Å; V53-V137 PolarHBondContact N-O 3.14Å; V53-V137 PolarHBondContact O-N 2.9Å; V53-W139 HydrophobicContact CG2-CD2 3.85Å; V53-W139 HydrophobicContact CG2-CE3 4.04Å; V53-W139 HydrophobicContact CG2-CG 4.43Å; V53-W139 HydrophobicContact CG2-CH2 4.14Å; V53-W139 HydrophobicContact CG2-CZ2 3.94Å; V53-W139 HydrophobicContact CG2-CZ3 4.19Å; V53-F396 HydrophobicContact CG1-CE1 3.77Å; V53-F396 HydrophobicContact CG2-CD1 4.37Å; V53-F396 HydrophobicContact CG2-CE1 4.31Å
54	Y	97.4	Very high	94.8	Very high	47 Å²	47	52.8 Å²	52.8	18%	0.184	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.5	-178	-63.7	-96.8	0	0	0	110	Y100 T101 V102 A104 K136	Y54-Y100 VanDerWaalsContact O-CA 3.24Å; Y54-Y100 WeakPolarHBondContact O-CA 3.31Å; Y54-T101 PolarHBondContact N-O 3.31Å; Y54-T101 PolarHBondContact O-N 2.98Å; Y54-V102 WeakPolarHBondContact CE2-O 3.47Å; Y54-A104 HydrophobicContact CD1-CB 3.82Å; Y54-A104 HydrophobicContact CE1-CB 3.58Å; Y54-A104 HydrophobicContact CE2-CB 4.41Å; Y54-A104 HydrophobicContact CG-CB 4.33Å; Y54-K136 HydrophobicContact CD1-CG 4.34Å; Y54-K136 HydrophobicContact CE1-CD 4.44Å; Y54-K136 HydrophobicContact CE1-CG 4.23Å
55	H	97.8	Very high	94.2	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128	-179.8	178.8	-157.5	0	0	0	110.6	N98 Y100 L134 A135 V137	H55-N98 PolarHBondContact CE1-OD1 3.35Å; H55-N98 PolarHBondContact NE2-OD1 3.31Å; H55-Y100 HydrophobicContact CB-CD1 3.82Å; H55-Y100 HydrophobicContact CB-CE1 3.65Å; H55-Y100 AromaticContact CD2-CE1 3.46Å; H55-Y100 VanDerWaalsContact CD2-CE1 3.46Å; H55-Y100 WeakPolarHBondContact CD2-CE1 3.42Å; H55-Y100 AromaticContact CD2-CZ 3.72Å; H55-Y100 AromaticContact CG-CE1 3.46Å; H55-Y100 VanDerWaalsContact CG-CE1 3.46Å; H55-Y100 AromaticContact NE2-CZ 4Å; H55-L134 WeakPolarHBondContact CE1-CD2 3.49Å; H55-L134 PolarHBondContact O-N 2.86Å; H55-A135 PolarHBondContact N-O 3.04Å; H55-A135 PolarHBondContact O-N 3.47Å; H55-V137 HydrophobicContact CB-CG2 3.99Å
56	Y	97.4	Very high	93.8	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139	177.7	-59.1	-90.5	0	0	0	110.5	I99 T101 A104 L105 I107 I131 R132 W133	Y56-I99 PolarHBondContact N-O 3.26Å; Y56-I99 PolarHBondContact O-N 3.31Å; Y56-T101 HydrophobicContact CE2-CG2 4.47Å; Y56-T101 WeakPolarHBondContact CE2-OG1 3.46Å; Y56-A104 WeakPolarHBondContact OH-CA 3.44Å; Y56-L105 HydrophobicContact CD1-CD1 4.24Å; Y56-L105 HydrophobicContact CD2-CD1 4.12Å; Y56-L105 HydrophobicContact CE1-CB 4.13Å; Y56-L105 HydrophobicContact CE1-CD1 4.08Å; Y56-L105 HydrophobicContact CE1-CG 4.32Å; Y56-L105 HydrophobicContact CE2-CB 4.48Å; Y56-L105 HydrophobicContact CE2-CD1 3.94Å; Y56-L105 HydrophobicContact CE2-CG 3.95Å; Y56-L105 HydrophobicContact CG-CD1 4.28Å; Y56-L105 PolarHBondContact OH-N 3.21Å; Y56-I107 HydrophobicContact CD1-CD1 3.79Å; Y56-I107 HydrophobicContact CD1-CG1 4.49Å; Y56-I107 HydrophobicContact CE1-CD1 3.67Å; Y56-I107 HydrophobicContact CE1-CG1 3.9Å; Y56-I131 HydrophobicContact CD1-CG2 4.03Å; Y56-I131 HydrophobicContact CG-CG2 4.27Å; Y56-R132 CarbonylContact C-O 3.53Å; Y56-R132 VanDerWaalsContact CA-O 3.28Å; Y56-R132 WeakPolarHBondContact CA-O 3.43Å; Y56-W133 HydrophobicContact CD1-CB 3.98Å; Y56-W133 HydrophobicContact CE1-CB 3.79Å; Y56-W133 AromaticContact CE1-CD1 3.76Å; Y56-W133 HydrophobicContact CE1-CG 4.19Å; Y56-W133 AromaticContact CZ-CD1 4Å
57	E	96.7	Very high	93.5	Very high	42 Å²	42	62.9 Å²	62.9	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133	164.3	-171	180	-167.6	0	0	109.2	K97 I131 R132	E57-K97 CarbonylContact C-O 3.56Å; E57-K97 VanDerWaalsContact CA-O 3.26Å; E57-K97 WeakPolarHBondContact CA-O 3.45Å; E57-K97 IonicContact OE1-NZ 2.95Å; E57-K97 PolarHBondContact OE1-NZ 2.95Å; E57-I131 WeakPolarHBondContact O-CA 3.31Å; E57-R132 PolarHBondContact N-O 2.92Å; E57-R132 PolarHBondContact O-N 3.01Å; E57-R132 IonicContact OE2-CZ 3.62Å; E57-R132 IonicContact OE2-NE 3.6Å; E57-R132 IonicContact OE2-NH2 2.68Å; E57-R132 PolarHBondContact OE2-NH2 2.8Å
58	V	96.1	Very high	93.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.6	169.9	63.5	0	0	0	0	110.5	I60 Y93 K97 I99 V129 S130 I131	V58-I60 HydrophobicContact CG2-CG1 4.09Å; V58-Y93 HydrophobicContact CG1-CD2 4.1Å; V58-Y93 HydrophobicContact CG1-CE2 3.36Å; V58-K97 PolarHBondContact N-O 3.24Å; V58-K97 WeakPolarHBondContact O-CA 3.35Å; V58-I99 HydrophobicContact CB-CD1 3.85Å; V58-I99 HydrophobicContact CB-CG1 4.26Å; V58-I99 HydrophobicContact CG1-CD1 3.9Å; V58-I99 HydrophobicContact CG1-CG1 3.88Å; V58-I99 HydrophobicContact CG2-CD1 4.17Å; V58-V129 HydrophobicContact CG2-CG1 3.54Å; V58-S130 CarbonylContact C-O 3.57Å; V58-S130 VanDerWaalsContact CA-O 3.26Å; V58-S130 WeakPolarHBondContact CA-O 3.46Å; V58-I131 HydrophobicContact CG2-CG1 4.4Å
59	D	96.1	Very high	93.1	Very high	40 Å²	40	65.9 Å²	65.9	21%	0.214	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.9	172.4	-177.8	52.6	0	0	0	109.2	K61 V129 S130	D59-K61 WeakPolarHBondContact OD2-CE 3.33Å; D59-V129 CarbonylContact O-C 3.56Å; D59-V129 WeakPolarHBondContact O-CA 3.42Å; D59-S130 WeakPolarHBondContact CB-OG 3.42Å; D59-S130 PolarHBondContact N-O 2.8Å; D59-S130 PolarHBondContact O-N 3.09Å; D59-S130 PolarHBondContact O-OG 2.9Å
60	I	95.5	Very high	93.1	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.3	-175.9	-58.5	174.6	0	0	0	108.1	V58 P62 D63 N70 V73 V74 F127 V129	V58-I60 HydrophobicContact CG2-CG1 4.09Å; I60-P62 CarbonylContact O-C 3.54Å; I60-D63 VanDerWaalsContact O-CA 3.27Å; I60-D63 WeakPolarHBondContact O-CA 3.42Å; I60-D63 PolarHBondContact O-N 2.82Å; I60-N70 HydrophobicContact CD1-CB 3.87Å; I60-V73 HydrophobicContact CD1-CB 4.38Å; I60-V73 HydrophobicContact CD1-CG1 4.24Å; I60-V73 HydrophobicContact CG2-CG1 4.24Å; I60-V74 HydrophobicContact CD1-CG2 4.09Å; I60-F127 HydrophobicContact CG2-CB 4.42Å; I60-F127 HydrophobicContact CG2-CD1 3.87Å; I60-V129 HydrophobicContact CG1-CG1 4.17Å; I60-V129 HydrophobicContact CG1-CG2 4.29Å; I60-V129 HydrophobicContact CG2-CG2 4.4Å
61	K	94.4	Very high	93.2	Very high	121 Å²	121	59.5 Å²	59.5	53%	0.526	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.6	174.2	-67.6	-177.1	-179.4	178.1	0	110.4	D59 F127 K128	D59-K61 WeakPolarHBondContact OD2-CE 3.33Å; K61-F127 WeakPolarHBondContact O-CA 3.41Å; K61-K128 HydrophobicContact CB-CB 4.33Å; K61-K128 PolarHBondContact N-O 3.09Å; K61-K128 PolarHBondContact O-N 3.39Å
62	P	91.3	Very high	93.1	Very high	71 Å²	71	60.7 Å²	60.7	46%	0.461	29%	0.288	S	S	.	.	S	Bend	cis	-70.3	144.1	2.4	27.9	-35.4	0	0	0	114.8	I60 F127	I60-P62 CarbonylContact O-C 3.54Å; P62-F127 HydrophobicContact CG-CE1 4.27Å
63	D	83.9	Confident	93	Very high	114 Å²	114	57.6 Å²	57.6	61%	0.61	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.3	-168.4	67	-28.9	0	0	0	114.8	I60 C65	I60-D63 VanDerWaalsContact O-CA 3.27Å; I60-D63 WeakPolarHBondContact O-CA 3.42Å; I60-D63 PolarHBondContact O-N 2.82Å; D63-C65 VanDerWaalsContact C-N 3.32Å; D63-C65 PolarHBondContact O-N 2.91Å
64	K	86.9	Confident	93	Very high	194 Å²	194	57.8 Å²	57.8	84%	0.843	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	17	-179.1	-67.8	178.1	-175.4	174.8	0	113.9
65	C	86.3	Confident	92.9	Very high	30 Å²	30	57.9 Å²	57.9	20%	0.203	28%	0.275	C	S	.	.			trans	-71.5	145.7	178.6	-77.5	0	0	0	0	112.2	D63 V69 N70	D63-C65 VanDerWaalsContact C-N 3.32Å; D63-C65 PolarHBondContact O-N 2.91Å; C65-V69 HydrophobicContact CB-CB 4.28Å; C65-V69 HydrophobicContact CB-CG1 4.2Å; C65-N70 WeakPolarHBondContact CB-OD1 2.86Å
66	P	87.9	Confident	92.7	Very high	87 Å²	87	61 Å²	61	57%	0.565	29%	0.287	S	S	*	.			trans	-58.4	145.1	171.2	-22.1	32.5	0	0	0	111.2	R68 V69 N70	P66-R68 PolarHBondContact O-N 3.04Å; P66-V69 HydrophobicContact CB-CG2 4.3Å; P66-V69 HydrophobicContact CG-CG2 4.19Å; P66-V69 WeakPolarHBondContact O-CA 3.35Å; P66-V69 WeakPolarHBondContact O-CB 3.33Å; P66-V69 PolarHBondContact O-N 3.44Å; P66-N70 PolarHBondContact O-N 3.42Å; P66-N70 VanDerWaalsContact O-N 3.09Å
67	R	91.6	Very high	92.6	Very high	137 Å²	137	60.9 Å²	60.9	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-52.1	-34.1	179.4	-64	-167.1	-166.7	-168.8	4.8	114	N70 R71 K96	R67-N70 PolarHBondContact O-N 2.8Å; R67-R71 WeakPolarHBondContact O-CG 3.46Å; R67-R71 PolarHBondContact O-N 2.9Å; R67-K96 HydrophobicContact CG-CG 4.3Å; R67-K96 VanDerWaalsContact NH2-CE 3.28Å
68	R	89.8	Confident	92.5	Very high	167 Å²	167	60 Å²	60	63%	0.63	28%	0.284	S	S	*	.	H	α-helix	trans	-62.1	-44	175.5	178.4	173.4	172.5	160.2	4.1	111.7	P66 N70 R71 E72	P66-R68 PolarHBondContact O-N 3.04Å; R68-N70 VanDerWaalsContact C-N 3.34Å; R68-R71 WeakPolarHBondContact O-CB 3.08Å; R68-R71 PolarHBondContact O-N 2.9Å; R68-E72 WeakPolarHBondContact CG-OE1 3.43Å; R68-E72 IonicContact NE-OE1 3.47Å; R68-E72 PolarHBondContact NE-OE1 2.98Å; R68-E72 WeakPolarHBondContact O-CG 3.24Å; R68-E72 PolarHBondContact O-N 3.33Å
69	V	90.5	Very high	92.3	Very high	21 Å²	21	65.8 Å²	65.8	13%	0.127	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-43.1	175.8	178.2	0	0	0	0	110	C65 P66 R71 E72 V73 F127	C65-V69 HydrophobicContact CB-CB 4.28Å; C65-V69 HydrophobicContact CB-CG1 4.2Å; P66-V69 HydrophobicContact CB-CG2 4.3Å; P66-V69 HydrophobicContact CG-CG2 4.19Å; P66-V69 WeakPolarHBondContact O-CA 3.35Å; P66-V69 WeakPolarHBondContact O-CB 3.33Å; P66-V69 PolarHBondContact O-N 3.44Å; V69-R71 PolarHBondContact O-N 2.85Å; V69-E72 WeakPolarHBondContact O-CB 3.35Å; V69-E72 PolarHBondContact O-N 2.83Å; V69-E72 VanDerWaalsContact O-N 3.11Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.36Å; V69-V73 PolarHBondContact O-N 2.84Å; V69-F127 HydrophobicContact CG1-CE1 4.4Å; V69-F127 HydrophobicContact CG1-CZ 3.98Å
70	N	94.9	Very high	92.2	Very high	14 Å²	14	69 Å²	69	8%	0.075	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-37.3	176.5	-65.1	-0.2	0	0	0	112.2	I60 C65 P66 R67 R68 V73 V74 Y93 G95	I60-N70 HydrophobicContact CD1-CB 3.87Å; C65-N70 WeakPolarHBondContact CB-OD1 2.86Å; P66-N70 PolarHBondContact O-N 3.42Å; P66-N70 VanDerWaalsContact O-N 3.09Å; R67-N70 PolarHBondContact O-N 2.8Å; R68-N70 VanDerWaalsContact C-N 3.34Å; N70-V73 PolarHBondContact O-N 2.97Å; N70-V74 WeakPolarHBondContact O-CG2 3.32Å; N70-V74 PolarHBondContact O-N 2.85Å; N70-Y93 HydrophobicContact CB-CE1 4.09Å; N70-Y93 WeakPolarHBondContact O-CE1 3.42Å; N70-G95 PolarHBondContact ND2-O 3.37Å
71	R	95	Very high	92.1	Very high	27 Å²	27	70.2 Å²	70.2	10%	0.102	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-43.1	174.9	-70.9	173.4	-179.4	-76.7	-5.3	111.7	R67 R68 V69 V73 V74 E75 Y93 D94	R67-R71 WeakPolarHBondContact O-CG 3.46Å; R67-R71 PolarHBondContact O-N 2.9Å; R68-R71 WeakPolarHBondContact O-CB 3.08Å; R68-R71 PolarHBondContact O-N 2.9Å; V69-R71 PolarHBondContact O-N 2.85Å; R71-V73 VanDerWaalsContact C-N 3.31Å; R71-V73 PolarHBondContact O-N 3.09Å; R71-V74 PolarHBondContact O-N 3.45Å; R71-E75 WeakPolarHBondContact O-CB 3.33Å; R71-E75 PolarHBondContact O-N 3.24Å; R71-Y93 HydrophobicContact CG-CD1 4.02Å; R71-Y93 HydrophobicContact CG-CE1 4.31Å; R71-Y93 PolarHBondContact NH1-O 2.95Å; R71-Y93 PolarHBondContact NH2-O 3.24Å; R71-D94 PolarHBondContact NH2-O 3.08Å
72	E	92.7	Very high	92	Very high	72 Å²	72	69 Å²	69	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-40.7	173.8	-68.3	164.5	-167.6	0	0	111.5	R68 V69 Y76 I118	R68-E72 WeakPolarHBondContact CG-OE1 3.43Å; R68-E72 IonicContact NE-OE1 3.47Å; R68-E72 PolarHBondContact NE-OE1 2.98Å; R68-E72 WeakPolarHBondContact O-CG 3.24Å; R68-E72 PolarHBondContact O-N 3.33Å; V69-E72 WeakPolarHBondContact O-CB 3.35Å; V69-E72 PolarHBondContact O-N 2.83Å; V69-E72 VanDerWaalsContact O-N 3.11Å; E72-Y76 WeakPolarHBondContact O-CB 3.26Å; E72-Y76 PolarHBondContact O-N 2.85Å; E72-I118 HydrophobicContact CB-CD1 4.4Å
73	V	94.7	Very high	92	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-51.3	173.9	175.6	0	0	0	0	111.1	I60 V69 N70 R71 Y76 M77 V116 I118 F127 V129	I60-V73 HydrophobicContact CD1-CB 4.38Å; I60-V73 HydrophobicContact CD1-CG1 4.24Å; I60-V73 HydrophobicContact CG2-CG1 4.24Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.36Å; V69-V73 PolarHBondContact O-N 2.84Å; N70-V73 PolarHBondContact O-N 2.97Å; R71-V73 VanDerWaalsContact C-N 3.31Å; R71-V73 PolarHBondContact O-N 3.09Å; V73-Y76 PolarHBondContact O-N 3.47Å; V73-M77 WeakPolarHBondContact O-CB 3.37Å; V73-M77 PolarHBondContact O-N 3.21Å; V73-V116 HydrophobicContact CG1-CB 4.32Å; V73-V116 HydrophobicContact CG1-CG1 4.16Å; V73-I118 HydrophobicContact CB-CD1 4.11Å; V73-I118 HydrophobicContact CG2-CD1 3.48Å; V73-I118 VanDerWaalsContact CG2-CD1 3.48Å; V73-F127 HydrophobicContact CG1-CB 4.15Å; V73-F127 HydrophobicContact CG1-CG 4.31Å; V73-F127 HydrophobicContact CG2-CB 4.48Å; V73-F127 HydrophobicContact CG2-CD1 3.88Å; V73-F127 HydrophobicContact CG2-CD2 3.78Å; V73-F127 HydrophobicContact CG2-CE1 3.98Å; V73-F127 HydrophobicContact CG2-CE2 3.87Å; V73-F127 HydrophobicContact CG2-CG 3.78Å; V73-F127 HydrophobicContact CG2-CZ 3.98Å; V73-V129 HydrophobicContact CG1-CG2 3.52Å
74	V	95.9	Very high	92.2	Very high	5 Å²	5	71.7 Å²	71.7	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-66.8	-40.3	-178.2	172.7	0	0	0	0	111.1	I60 N70 R71 Y76 M77 V78 Y93 I99	I60-V74 HydrophobicContact CD1-CG2 4.09Å; N70-V74 WeakPolarHBondContact O-CG2 3.32Å; N70-V74 PolarHBondContact O-N 2.85Å; R71-V74 PolarHBondContact O-N 3.45Å; V74-Y76 PolarHBondContact O-N 2.92Å; V74-M77 HydrophobicContact CB-CE 4.42Å; V74-M77 HydrophobicContact CG1-CE 4.1Å; V74-M77 HydrophobicContact CG2-CE 4.22Å; V74-M77 WeakPolarHBondContact O-CB 3.26Å; V74-M77 PolarHBondContact O-N 2.96Å; V74-V78 HydrophobicContact CG1-CG2 4.25Å; V74-V78 WeakPolarHBondContact O-CG2 3.41Å; V74-V78 PolarHBondContact O-N 2.92Å; V74-Y93 HydrophobicContact CB-CD1 3.78Å; V74-Y93 HydrophobicContact CB-CE1 4.02Å; V74-Y93 HydrophobicContact CB-CG 4.38Å; V74-Y93 HydrophobicContact CG1-CD1 4.09Å; V74-Y93 HydrophobicContact CG1-CG 4.22Å; V74-Y93 HydrophobicContact CG2-CD1 3.67Å; V74-Y93 HydrophobicContact CG2-CE1 3.45Å; V74-Y93 VanDerWaalsContact CG2-CE1 3.45Å; V74-Y93 HydrophobicContact CG2-CE2 4.47Å; V74-Y93 HydrophobicContact CG2-CG 4.23Å; V74-I99 HydrophobicContact CG1-CD1 3.96Å; V74-I99 HydrophobicContact CG2-CD1 4.36Å
75	E	94.5	Very high	92.3	Very high	49 Å²	49	62.7 Å²	62.7	23%	0.229	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-49.3	175.9	-178	62	-153.4	0	0	111.6	R71 M77 V78 Q79 M171	R71-E75 WeakPolarHBondContact O-CB 3.33Å; R71-E75 PolarHBondContact O-N 3.24Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 2.86Å; E75-V78 PolarHBondContact O-N 2.82Å; E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.39Å; E75-Q79 VanDerWaalsContact O-N 3.09Å; E75-Q79 PolarHBondContact OE1-NE2 2.84Å; E75-M171 WeakPolarHBondContact OE2-CE 3.28Å
76	Y	94.4	Very high	92.7	Very high	80 Å²	80	61.3 Å²	61.3	31%	0.314	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-40.5	177.2	-167	-82.9	0	0	0	111.6	E72 V73 V74 Q79 H80 V116 T117	E72-Y76 WeakPolarHBondContact O-CB 3.26Å; E72-Y76 PolarHBondContact O-N 2.85Å; V73-Y76 PolarHBondContact O-N 3.47Å; V74-Y76 PolarHBondContact O-N 2.92Å; Y76-Q79 PolarHBondContact O-N 3.03Å; Y76-H80 HydrophobicContact CD1-CB 4.16Å; Y76-H80 HydrophobicContact CE1-CB 4Å; Y76-H80 VanDerWaalsContact O-CB 3.26Å; Y76-H80 WeakPolarHBondContact O-CB 3.5Å; Y76-H80 PolarHBondContact O-N 3.42Å; Y76-V116 HydrophobicContact CD1-CG1 3.82Å; Y76-V116 HydrophobicContact CG-CG1 4.47Å; Y76-T117 WeakPolarHBondContact CE1-O 3.41Å; Y76-T117 VanDerWaalsContact CZ-O 3.29Å
77	M	94.8	Very high	92.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-44	175.5	-175.8	-176.2	59.9	0	0	111.8	V73 V74 E75 Q79 H80 F81 F86 I99 V116 V129 I131	V73-M77 WeakPolarHBondContact O-CB 3.37Å; V73-M77 PolarHBondContact O-N 3.21Å; V74-M77 HydrophobicContact CB-CE 4.42Å; V74-M77 HydrophobicContact CG1-CE 4.1Å; V74-M77 HydrophobicContact CG2-CE 4.22Å; V74-M77 WeakPolarHBondContact O-CB 3.26Å; V74-M77 PolarHBondContact O-N 2.96Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 2.86Å; M77-Q79 VanDerWaalsContact C-N 3.31Å; M77-Q79 PolarHBondContact O-N 2.85Å; M77-H80 PolarHBondContact O-N 3.01Å; M77-F81 HydrophobicContact CB-CD2 4.49Å; M77-F81 HydrophobicContact CG-CD2 3.77Å; M77-F81 HydrophobicContact CG-CE2 4.35Å; M77-F81 WeakPolarHBondContact O-CB 3.16Å; M77-F81 WeakPolarHBondContact O-CD2 3.46Å; M77-F81 PolarHBondContact O-N 3.34Å; M77-F86 HydrophobicContact CE-CZ 3.91Å; M77-F86 HydrophobicContact CG-CE2 4.12Å; M77-F86 HydrophobicContact CG-CZ 4.34Å; M77-F86 WeakPolarHBondContact O-CE2 3.38Å; M77-I99 HydrophobicContact CE-CD1 4.34Å; M77-V116 HydrophobicContact CB-CG1 4.28Å; M77-V116 HydrophobicContact CB-CG2 3.84Å; M77-V116 HydrophobicContact CG-CG2 3.89Å; M77-V116 HydrophobicContact SD-CG2 4.25Å; M77-V129 HydrophobicContact CE-CG1 4.14Å; M77-V129 HydrophobicContact SD-CB 4.02Å; M77-V129 HydrophobicContact SD-CG1 3.52Å; M77-V129 VanDerWaalsContact SD-CG1 3.52Å; M77-I131 HydrophobicContact CE-CD1 3.74Å; M77-I131 HydrophobicContact CE-CG1 4.49Å; M77-I131 HydrophobicContact SD-CD1 3.93Å
78	V	94.7	Very high	93	Very high	25 Å²	25	58 Å²	58	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-42	177.8	173.9	0	0	0	0	111.1	V74 E75 K82 F86 P91	V74-V78 HydrophobicContact CG1-CG2 4.25Å; V74-V78 WeakPolarHBondContact O-CG2 3.41Å; V74-V78 PolarHBondContact O-N 2.92Å; E75-V78 PolarHBondContact O-N 2.82Å; V78-K82 PolarHBondContact O-N 3.4Å; V78-F86 HydrophobicContact CB-CD2 4.33Å; V78-F86 HydrophobicContact CB-CE2 4.47Å; V78-F86 HydrophobicContact CG1-CB 4.4Å; V78-F86 HydrophobicContact CG1-CD2 4.43Å; V78-F86 HydrophobicContact CG1-CG 4.24Å; V78-F86 HydrophobicContact CG2-CD1 4.28Å; V78-F86 HydrophobicContact CG2-CD2 4.38Å; V78-F86 HydrophobicContact CG2-CE1 4.13Å; V78-F86 HydrophobicContact CG2-CE2 4.22Å; V78-F86 HydrophobicContact CG2-CG 4.4Å; V78-F86 HydrophobicContact CG2-CZ 4.1Å; V78-P91 HydrophobicContact CG1-CG 4.46Å; V78-P91 HydrophobicContact CG2-CG 3.94Å
79	Q	92.7	Very high	93.2	Very high	121 Å²	121	53.1 Å²	53.1	57%	0.565	26%	0.264	S	S	*	.	H	α-helix	trans	-69.9	-46.3	178.8	-66.2	176	9.5	0	0	112.3	E75 Y76 M77	E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.39Å; E75-Q79 VanDerWaalsContact O-N 3.09Å; E75-Q79 PolarHBondContact OE1-NE2 2.84Å; Y76-Q79 PolarHBondContact O-N 3.03Å; M77-Q79 VanDerWaalsContact C-N 3.31Å; M77-Q79 PolarHBondContact O-N 2.85Å
80	H	93.1	Very high	93.5	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.495	28%	0.275	S	S	.	.	H	α-helix	trans	-74	-39.6	-173.9	-167.8	76	0	0	0	112.8	Y76 M77 K82	Y76-H80 HydrophobicContact CD1-CB 4.16Å; Y76-H80 HydrophobicContact CE1-CB 4Å; Y76-H80 VanDerWaalsContact O-CB 3.26Å; Y76-H80 WeakPolarHBondContact O-CB 3.5Å; Y76-H80 PolarHBondContact O-N 3.42Å; M77-H80 PolarHBondContact O-N 3.01Å; H80-K82 VanDerWaalsContact C-N 3.32Å
81	F	93.3	Very high	93.6	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.145	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	24.2	179.7	-62.4	-81.8	0	0	0	112.8	M77 Q84 L85 F86 F114 E115 V116	M77-F81 HydrophobicContact CB-CD2 4.49Å; M77-F81 HydrophobicContact CG-CD2 3.77Å; M77-F81 HydrophobicContact CG-CE2 4.35Å; M77-F81 WeakPolarHBondContact O-CB 3.16Å; M77-F81 WeakPolarHBondContact O-CD2 3.46Å; M77-F81 PolarHBondContact O-N 3.34Å; F81-Q84 VanDerWaalsContact CA-OE1 3.24Å; F81-Q84 PolarHBondContact O-N 3.28Å; F81-L85 HydrophobicContact CB-CB 4.49Å; F81-L85 PolarHBondContact O-N 2.65Å; F81-F86 HydrophobicContact CB-CD2 4.24Å; F81-F86 HydrophobicContact CB-CE2 4.07Å; F81-F86 PolarHBondContact O-N 3.3Å; F81-F114 AromaticContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CE1 4.08Å; F81-F114 HydrophobicContact CD2-CD1 4.21Å; F81-F114 AromaticContact CE1-CD1 3.77Å; F81-F114 HydrophobicContact CE1-CD1 3.77Å; F81-F114 HydrophobicContact CE1-CE1 4.43Å; F81-F114 HydrophobicContact CE2-CB 4.26Å; F81-F114 HydrophobicContact CE2-CD1 4.2Å; F81-F114 AromaticContact CG-CD1 4Å; F81-F114 HydrophobicContact CG-CD1 4Å; F81-F114 HydrophobicContact CG-CE1 4.34Å; F81-F114 HydrophobicContact CZ-CB 4.3Å; F81-F114 AromaticContact CZ-CD1 3.98Å; F81-F114 HydrophobicContact CZ-CD1 3.98Å; F81-E115 WeakPolarHBondContact CZ-O 3.3Å; F81-V116 HydrophobicContact CE2-CG2 4.19Å
82	K	92.4	Very high	93.8	Very high	96 Å²	96	54.3 Å²	54.3	42%	0.417	27%	0.268	S	S	.	.	I	π-helix	trans	-56.7	-50	178.8	-166.4	-173.7	178.7	-167.5	0	111.8	V78 H80 Q84 F86 G87 D88	V78-K82 PolarHBondContact O-N 3.4Å; H80-K82 VanDerWaalsContact C-N 3.32Å; K82-Q84 PolarHBondContact O-N 3.47Å; K82-F86 PolarHBondContact O-N 3.05Å; K82-G87 WeakPolarHBondContact CE-O 3.28Å; K82-G87 WeakPolarHBondContact CG-O 3.31Å; K82-G87 WeakPolarHBondContact O-CA 3.19Å; K82-G87 PolarHBondContact O-N 2.89Å; K82-D88 WeakPolarHBondContact CE-OD1 3.46Å; K82-D88 IonicContact NZ-OD1 3.59Å; K82-D88 PolarHBondContact NZ-OD1 3.17Å
83	P	90.9	Very high	94	Very high	114 Å²	114	51 Å²	51	74%	0.74	25%	0.253	S	S	*	.	I	π-helix	trans	-67.4	-34	-177.6	-20.7	34.2	0	0	0	114
84	Q	88.3	Confident	94.1	Very high	126 Å²	126	52 Å²	52	59%	0.589	26%	0.258	S	S	*	.	I	π-helix	trans	-86.7	-35	-173.2	-56.4	85.6	-3.6	0	0	113.1	F81 K82	F81-Q84 VanDerWaalsContact CA-OE1 3.24Å; F81-Q84 PolarHBondContact O-N 3.28Å; K82-Q84 PolarHBondContact O-N 3.47Å
85	L	90.8	Very high	94	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.257	C	S	.	.	I	π-helix	trans	-126.3	-55	-168.1	-178.9	63	0	0	0	113.2	F81 L105 P106 I107 F114 I131	F81-L85 HydrophobicContact CB-CB 4.49Å; F81-L85 PolarHBondContact O-N 2.65Å; L85-L105 HydrophobicContact CD1-CB 4.05Å; L85-L105 HydrophobicContact CD1-CD1 4.32Å; L85-L105 HydrophobicContact CD1-CD2 4.49Å; L85-L105 HydrophobicContact CG-CD1 4.49Å; L85-L105 HydrophobicContact CG-CD2 4.43Å; L85-P106 HydrophobicContact CD1-CG 4.38Å; L85-P106 WeakPolarHBondContact O-CD 3.46Å; L85-I107 HydrophobicContact CD1-CG2 3.41Å; L85-I107 VanDerWaalsContact CD1-CG2 3.41Å; L85-F114 HydrophobicContact CD2-CE1 4.27Å; L85-F114 HydrophobicContact CD2-CE2 3.94Å; L85-F114 HydrophobicContact CD2-CZ 3.6Å; L85-I131 HydrophobicContact CD2-CD1 3.76Å
86	F	93	Very high	94	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	27%	0.269	C	S	.	.	I	π-helix	trans	-85.7	-28.7	-165.7	-59.9	-73.4	0	0	0	113.1	M77 V78 F81 K82 D88 R89 P91 L105 I131	M77-F86 HydrophobicContact CE-CZ 3.91Å; M77-F86 HydrophobicContact CG-CE2 4.12Å; M77-F86 HydrophobicContact CG-CZ 4.34Å; M77-F86 WeakPolarHBondContact O-CE2 3.38Å; V78-F86 HydrophobicContact CB-CD2 4.33Å; V78-F86 HydrophobicContact CB-CE2 4.47Å; V78-F86 HydrophobicContact CG1-CB 4.4Å; V78-F86 HydrophobicContact CG1-CD2 4.43Å; V78-F86 HydrophobicContact CG1-CG 4.24Å; V78-F86 HydrophobicContact CG2-CD1 4.28Å; V78-F86 HydrophobicContact CG2-CD2 4.38Å; V78-F86 HydrophobicContact CG2-CE1 4.13Å; V78-F86 HydrophobicContact CG2-CE2 4.22Å; V78-F86 HydrophobicContact CG2-CG 4.4Å; V78-F86 HydrophobicContact CG2-CZ 4.1Å; F81-F86 HydrophobicContact CB-CD2 4.24Å; F81-F86 HydrophobicContact CB-CE2 4.07Å; F81-F86 PolarHBondContact O-N 3.3Å; K82-F86 PolarHBondContact O-N 3.05Å; F86-D88 PolarHBondContact O-N 2.91Å; F86-R89 WeakPolarHBondContact O-CB 3.27Å; F86-R89 WeakPolarHBondContact O-CD 3.15Å; F86-R89 VanDerWaalsContact O-CG 3.28Å; F86-R89 WeakPolarHBondContact O-CG 3.22Å; F86-R89 PolarHBondContact O-N 2.71Å; F86-R89 VanDerWaalsContact O-N 3.08Å; F86-R89 PolarHBondContact O-NH1 3.44Å; F86-P91 HydrophobicContact CD1-CG 3.46Å; F86-P91 VanDerWaalsContact CD1-CG 3.46Å; F86-P91 HydrophobicContact CE1-CG 3.82Å; F86-P91 HydrophobicContact CG-CG 4.39Å; F86-L105 HydrophobicContact CD1-CD2 3.84Å; F86-L105 HydrophobicContact CE1-CD1 4.23Å; F86-L105 HydrophobicContact CE1-CD2 4.3Å; F86-I131 HydrophobicContact CZ-CD1 4.07Å
87	G	92.8	Very high	94.1	Very high	26 Å²	26	55.2 Å²	55.2	27%	0.268	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-136.8	-171.2	0	0	0	0	0	110.1	K82 R89	K82-G87 WeakPolarHBondContact CE-O 3.28Å; K82-G87 WeakPolarHBondContact CG-O 3.31Å; K82-G87 WeakPolarHBondContact O-CA 3.19Å; K82-G87 PolarHBondContact O-N 2.89Å; G87-R89 VanDerWaalsContact C-N 3.27Å; G87-R89 PolarHBondContact O-N 3.04Å
88	D	92.9	Very high	94.2	Very high	130 Å²	130	56.8 Å²	56.8	70%	0.695	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	3.2	175.9	-64.3	-46.4	0	0	0	114.8	K82 F86	K82-D88 WeakPolarHBondContact CE-OD1 3.46Å; K82-D88 IonicContact NZ-OD1 3.59Å; K82-D88 PolarHBondContact NZ-OD1 3.17Å; F86-D88 PolarHBondContact O-N 2.91Å
89	R	94.9	Very high	94.4	Very high	63 Å²	63	55.6 Å²	55.6	24%	0.238	27%	0.274	C	S	.	.			trans	-66.4	146.7	179.4	-58.6	163.7	-176.9	68.3	-0.2	110.2	F86 G87 P91 L103 A104 E395	F86-R89 WeakPolarHBondContact O-CB 3.27Å; F86-R89 WeakPolarHBondContact O-CD 3.15Å; F86-R89 VanDerWaalsContact O-CG 3.28Å; F86-R89 WeakPolarHBondContact O-CG 3.22Å; F86-R89 PolarHBondContact O-N 2.71Å; F86-R89 VanDerWaalsContact O-N 3.08Å; F86-R89 PolarHBondContact O-NH1 3.44Å; G87-R89 VanDerWaalsContact C-N 3.27Å; G87-R89 PolarHBondContact O-N 3.04Å; R89-P91 WeakPolarHBondContact O-CD 3.25Å; R89-L103 HydrophobicContact CG-CB 4.43Å; R89-L103 PolarHBondContact NE-O 3.4Å; R89-A104 PolarHBondContact NE-O 3.15Å; R89-A104 PolarHBondContact NH2-O 3.26Å; R89-E395 WeakPolarHBondContact CA-OE1 3.46Å
90	K	96.8	Very high	94.6	Very high	80 Å²	80	50 Å²	50	35%	0.348	25%	0.248	S	C	.	.			trans	-114.4	89.1	173.4	-60.8	176.2	-169.6	161.1	0	110.9	P391 Y392 E395	K90-P391 HydrophobicContact CD-CB 4.22Å; K90-Y392 HydrophobicContact CB-CD1 3.87Å; K90-Y392 HydrophobicContact CB-CE1 3.98Å; K90-E395 HydrophobicContact CB-CB 4.2Å; K90-E395 HydrophobicContact CB-CG 3.95Å; K90-E395 HydrophobicContact CD-CB 4.45Å; K90-E395 PolarHBondContact N-OE1 2.84Å; K90-E395 VanDerWaalsContact N-OE1 3.09Å
91	P	97.5	Very high	94.9	Very high	7 Å²	7	45 Å²	45	5%	0.045	22%	0.224	C	C	.	.			trans	-64.2	145.3	-179	-16.6	29.3	0	0	0	112	V78 F86 R89 I99 Y100 T101	V78-P91 HydrophobicContact CG1-CG 4.46Å; V78-P91 HydrophobicContact CG2-CG 3.94Å; F86-P91 HydrophobicContact CD1-CG 3.46Å; F86-P91 VanDerWaalsContact CD1-CG 3.46Å; F86-P91 HydrophobicContact CE1-CG 3.82Å; F86-P91 HydrophobicContact CG-CG 4.39Å; R89-P91 WeakPolarHBondContact O-CD 3.25Å; P91-I99 HydrophobicContact CB-CG2 3.74Å; P91-Y100 WeakPolarHBondContact CA-O 3.45Å; P91-T101 HydrophobicContact CB-CG2 3.81Å; P91-T101 HydrophobicContact CG-CG2 3.94Å
92	V	98.3	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.4	171.7	-63.4	0	0	0	0	110.2	I99 Y100 V163 A164 H167 Y392 F396	V92-I99 CarbonylContact O-C 3.48Å; V92-I99 WeakPolarHBondContact O-CA 3.32Å; V92-Y100 HydrophobicContact CG2-CD2 4.3Å; V92-Y100 PolarHBondContact N-O 3.16Å; V92-Y100 PolarHBondContact O-N 3.31Å; V92-V163 HydrophobicContact CB-CG1 4.35Å; V92-V163 HydrophobicContact CG2-CG1 4.15Å; V92-A164 HydrophobicContact CG1-CB 4.39Å; V92-A164 HydrophobicContact CG2-CB 4.03Å; V92-H167 HydrophobicContact CB-CB 3.98Å; V92-H167 HydrophobicContact CG1-CB 3.88Å; V92-Y392 HydrophobicContact CG1-CD1 3.81Å; V92-Y392 HydrophobicContact CG1-CG 4.17Å; V92-F396 HydrophobicContact CB-CE2 4.32Å; V92-F396 HydrophobicContact CB-CZ 4.46Å; V92-F396 HydrophobicContact CG1-CD2 4.29Å; V92-F396 HydrophobicContact CG1-CE2 3.67Å; V92-F396 HydrophobicContact CG1-CZ 4.28Å; V92-F396 HydrophobicContact CG2-CE1 4.27Å; V92-F396 HydrophobicContact CG2-CE2 3.79Å; V92-F396 HydrophobicContact CG2-CZ 3.49Å; V92-F396 VanDerWaalsContact CG2-CZ 3.49Å
93	Y	98	Very high	95.1	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140	-170.1	179.5	-136.3	0	0	0	112.9	V58 N70 R71 V74 G95 K96 N98 I99 H167	V58-Y93 HydrophobicContact CG1-CD2 4.1Å; V58-Y93 HydrophobicContact CG1-CE2 3.36Å; N70-Y93 HydrophobicContact CB-CE1 4.09Å; N70-Y93 WeakPolarHBondContact O-CE1 3.42Å; R71-Y93 HydrophobicContact CG-CD1 4.02Å; R71-Y93 HydrophobicContact CG-CE1 4.31Å; R71-Y93 PolarHBondContact NH1-O 2.95Å; R71-Y93 PolarHBondContact NH2-O 3.24Å; V74-Y93 HydrophobicContact CB-CD1 3.78Å; V74-Y93 HydrophobicContact CB-CE1 4.02Å; V74-Y93 HydrophobicContact CB-CG 4.38Å; V74-Y93 HydrophobicContact CG1-CD1 4.09Å; V74-Y93 HydrophobicContact CG1-CG 4.22Å; V74-Y93 HydrophobicContact CG2-CD1 3.67Å; V74-Y93 HydrophobicContact CG2-CE1 3.45Å; V74-Y93 VanDerWaalsContact CG2-CE1 3.45Å; V74-Y93 HydrophobicContact CG2-CE2 4.47Å; V74-Y93 HydrophobicContact CG2-CG 4.23Å; Y93-G95 VanDerWaalsContact C-N 3.35Å; Y93-G95 VanDerWaalsContact CZ-CA 3.46Å; Y93-G95 VanDerWaalsContact OH-C 3.29Å; Y93-K96 VanDerWaalsContact CZ-N 3.28Å; Y93-K96 WeakPolarHBondContact OH-CA 3.24Å; Y93-K96 PolarHBondContact OH-N 2.72Å; Y93-K96 VanDerWaalsContact OH-N 3.14Å; Y93-K96 PolarHBondContact OH-O 2.98Å; Y93-N98 VanDerWaalsContact CD2-O 3.28Å; Y93-N98 WeakPolarHBondContact CD2-O 3.37Å; Y93-I99 HydrophobicContact CD2-CD1 4.42Å; Y93-I99 HydrophobicContact CD2-CG1 3.57Å; Y93-I99 HydrophobicContact CE2-CG1 4.26Å; Y93-I99 HydrophobicContact CG-CG1 4.17Å; Y93-H167 PolarHBondContact N-ND1 3.29Å
94	D	95.1	Very high	95.3	Very high	21 Å²	21	41.2 Å²	41.2	11%	0.112	21%	0.21	C	C	.	.			trans	-82.8	-7.9	178.9	79.7	-21.2	0	0	0	114.3	R71 K96 K97 N98 V163	R71-D94 PolarHBondContact NH2-O 3.08Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 WeakPolarHBondContact OD1-CA 3.33Å; D94-K96 PolarHBondContact OD1-N 3.47Å; D94-K97 PolarHBondContact OD1-N 3.07Å; D94-N98 HydrophobicContact CB-CB 4.34Å; D94-N98 PolarHBondContact N-O 3.31Å; D94-N98 VanDerWaalsContact N-O 3.15Å; D94-N98 PolarHBondContact OD1-N 3.29Å; D94-N98 PolarHBondContact OD2-ND2 2.72Å; D94-V163 HydrophobicContact CB-CG1 4.21Å; D94-V163 HydrophobicContact CB-CG2 3.77Å
95	G	94.5	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	83.8	7.9	-177.5	0	0	0	0	0	113.9	N70 Y93	N70-G95 PolarHBondContact ND2-O 3.37Å; Y93-G95 VanDerWaalsContact C-N 3.35Å; Y93-G95 VanDerWaalsContact CZ-CA 3.46Å; Y93-G95 VanDerWaalsContact OH-C 3.29Å
96	K	94.6	Very high	95.7	Very high	109 Å²	109	39.6 Å²	39.6	47%	0.474	21%	0.21	S	C	.	.	S	Bend	trans	-129.7	-76.7	178.6	-77.2	-173.7	158.4	-170.3	0	112.9	R67 Y93 D94	R67-K96 HydrophobicContact CG-CG 4.3Å; R67-K96 VanDerWaalsContact NH2-CE 3.28Å; Y93-K96 VanDerWaalsContact CZ-N 3.28Å; Y93-K96 WeakPolarHBondContact OH-CA 3.24Å; Y93-K96 PolarHBondContact OH-N 2.72Å; Y93-K96 VanDerWaalsContact OH-N 3.14Å; Y93-K96 PolarHBondContact OH-O 2.98Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 WeakPolarHBondContact OD1-CA 3.33Å; D94-K96 PolarHBondContact OD1-N 3.47Å
97	K	96.3	Very high	95.4	Very high	93 Å²	93	40.9 Å²	40.9	40%	0.404	22%	0.217	S	C	.	.	S	Bend	trans	-141.6	-8.8	-166.5	-77	-159	161.2	-150.3	0	114.1	E57 V58 D94	E57-K97 CarbonylContact C-O 3.56Å; E57-K97 VanDerWaalsContact CA-O 3.26Å; E57-K97 WeakPolarHBondContact CA-O 3.45Å; E57-K97 IonicContact OE1-NZ 2.95Å; E57-K97 PolarHBondContact OE1-NZ 2.95Å; V58-K97 PolarHBondContact N-O 3.24Å; V58-K97 WeakPolarHBondContact O-CA 3.35Å; D94-K97 PolarHBondContact OD1-N 3.07Å
98	N	97.6	Very high	95	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.171	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.9	-169.3	-56.8	-67.4	0	0	0	110.6	H55 Y93 D94 Y100	H55-N98 PolarHBondContact CE1-OD1 3.35Å; H55-N98 PolarHBondContact NE2-OD1 3.31Å; Y93-N98 VanDerWaalsContact CD2-O 3.28Å; Y93-N98 WeakPolarHBondContact CD2-O 3.37Å; D94-N98 HydrophobicContact CB-CB 4.34Å; D94-N98 PolarHBondContact N-O 3.31Å; D94-N98 VanDerWaalsContact N-O 3.15Å; D94-N98 PolarHBondContact OD1-N 3.29Å; D94-N98 PolarHBondContact OD2-ND2 2.72Å; N98-Y100 HydrophobicContact CB-CE2 3.84Å
99	I	97.8	Very high	94.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.1	170.3	-67.9	178.3	0	0	0	108.9	Y56 V58 V74 M77 P91 V92 Y93	Y56-I99 PolarHBondContact N-O 3.26Å; Y56-I99 PolarHBondContact O-N 3.31Å; V58-I99 HydrophobicContact CB-CD1 3.85Å; V58-I99 HydrophobicContact CB-CG1 4.26Å; V58-I99 HydrophobicContact CG1-CD1 3.9Å; V58-I99 HydrophobicContact CG1-CG1 3.88Å; V58-I99 HydrophobicContact CG2-CD1 4.17Å; V74-I99 HydrophobicContact CG1-CD1 3.96Å; V74-I99 HydrophobicContact CG2-CD1 4.36Å; M77-I99 HydrophobicContact CE-CD1 4.34Å; P91-I99 HydrophobicContact CB-CG2 3.74Å; V92-I99 CarbonylContact O-C 3.48Å; V92-I99 WeakPolarHBondContact O-CA 3.32Å; Y93-I99 HydrophobicContact CD2-CD1 4.42Å; Y93-I99 HydrophobicContact CD2-CG1 3.57Å; Y93-I99 HydrophobicContact CE2-CG1 4.26Å; Y93-I99 HydrophobicContact CG-CG1 4.17Å
100	Y	98.3	Very high	94.1	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.6	174.1	-55.4	-89.5	0	0	0	111.4	V53 Y54 H55 P91 V92 N98 V137 A160 V163	V53-Y100 HydrophobicContact CG1-CD1 4.05Å; V53-Y100 HydrophobicContact CG1-CG 4.37Å; Y54-Y100 VanDerWaalsContact O-CA 3.24Å; Y54-Y100 WeakPolarHBondContact O-CA 3.31Å; H55-Y100 HydrophobicContact CB-CD1 3.82Å; H55-Y100 HydrophobicContact CB-CE1 3.65Å; H55-Y100 AromaticContact CD2-CE1 3.46Å; H55-Y100 VanDerWaalsContact CD2-CE1 3.46Å; H55-Y100 WeakPolarHBondContact CD2-CE1 3.42Å; H55-Y100 AromaticContact CD2-CZ 3.72Å; H55-Y100 AromaticContact CG-CE1 3.46Å; H55-Y100 VanDerWaalsContact CG-CE1 3.46Å; H55-Y100 AromaticContact NE2-CZ 4Å; P91-Y100 WeakPolarHBondContact CA-O 3.45Å; V92-Y100 HydrophobicContact CG2-CD2 4.3Å; V92-Y100 PolarHBondContact N-O 3.16Å; V92-Y100 PolarHBondContact O-N 3.31Å; N98-Y100 HydrophobicContact CB-CE2 3.84Å; Y100-V137 HydrophobicContact CE1-CG2 4.4Å; Y100-A160 HydrophobicContact CD1-CB 3.8Å; Y100-A160 HydrophobicContact CE1-CB 3.64Å; Y100-A160 HydrophobicContact CE2-CB 4.47Å; Y100-A160 HydrophobicContact CG-CB 4.28Å; Y100-V163 HydrophobicContact CD2-CB 4.2Å; Y100-V163 HydrophobicContact CD2-CG1 3.96Å; Y100-V163 HydrophobicContact CE2-CB 4.06Å; Y100-V163 HydrophobicContact CE2-CG1 4.1Å; Y100-V163 HydrophobicContact CE2-CG2 4.1Å
101	T	97.9	Very high	93.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.3	172.8	62.8	0	0	0	0	111.2	Y54 Y56 P91 L103 L105	Y54-T101 PolarHBondContact N-O 3.31Å; Y54-T101 PolarHBondContact O-N 2.98Å; Y56-T101 HydrophobicContact CE2-CG2 4.47Å; Y56-T101 WeakPolarHBondContact CE2-OG1 3.46Å; P91-T101 HydrophobicContact CB-CG2 3.81Å; P91-T101 HydrophobicContact CG-CG2 3.94Å; T101-L103 WeakPolarHBondContact CB-O 3.41Å; T101-L103 PolarHBondContact OG1-O 2.98Å; T101-L105 HydrophobicContact CG2-CD2 4.15Å; T101-L105 HydrophobicContact CG2-CG 4.25Å
102	V	96.3	Very high	93.6	Very high	20 Å²	20	48.2 Å²	48.2	12%	0.121	27%	0.269	C	S	.	.	S	Bend	trans	-78	-33	177.2	-66.1	0	0	0	0	113.4	M51 Y54 E395 F396	M51-V102 HydrophobicContact CE-CB 4.44Å; M51-V102 HydrophobicContact CE-CG1 3.76Å; Y54-V102 WeakPolarHBondContact CE2-O 3.47Å; V102-E395 HydrophobicContact CG1-CG 4.24Å; V102-E395 WeakPolarHBondContact CG1-O 3.4Å; V102-E395 HydrophobicContact CG2-CG 3.95Å; V102-E395 WeakPolarHBondContact CG2-OE1 3.28Å; V102-F396 HydrophobicContact CG1-CB 4.23Å; V102-F396 HydrophobicContact CG1-CD1 3.68Å; V102-F396 HydrophobicContact CG1-CD2 3.92Å; V102-F396 HydrophobicContact CG1-CE1 3.96Å; V102-F396 HydrophobicContact CG1-CE2 4.16Å; V102-F396 HydrophobicContact CG1-CG 3.69Å; V102-F396 HydrophobicContact CG1-CZ 4.19Å
103	L	94.6	Very high	93.4	Very high	103 Å²	103	53.7 Å²	53.7	54%	0.539	30%	0.299	S	S	.	.	S	Bend	trans	-115.2	147	174.3	-65.3	176.8	0	0	0	109.3	R89 T101 L105	R89-L103 HydrophobicContact CG-CB 4.43Å; R89-L103 PolarHBondContact NE-O 3.4Å; T101-L103 WeakPolarHBondContact CB-O 3.41Å; T101-L103 PolarHBondContact OG1-O 2.98Å; L103-L105 PolarHBondContact O-N 3.02Å
104	A	94.8	Very high	93.2	Very high	41 Å²	41	55 Å²	55	34%	0.339	30%	0.304	S	S	.	.			trans	-54.5	133.3	174.5	0	0	0	0	0	110.2	Y54 Y56 R89	Y54-A104 HydrophobicContact CD1-CB 3.82Å; Y54-A104 HydrophobicContact CE1-CB 3.58Å; Y54-A104 HydrophobicContact CE2-CB 4.41Å; Y54-A104 HydrophobicContact CG-CB 4.33Å; Y56-A104 WeakPolarHBondContact OH-CA 3.44Å; R89-A104 PolarHBondContact NE-O 3.15Å; R89-A104 PolarHBondContact NH2-O 3.26Å
105	L	94.7	Very high	93.2	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	32%	0.324	C	S	.	.			trans	-66	147.1	162.9	-64.4	178.7	0	0	0	109.1	Y56 L85 F86 T101 L103 I107	Y56-L105 HydrophobicContact CD1-CD1 4.24Å; Y56-L105 HydrophobicContact CD2-CD1 4.12Å; Y56-L105 HydrophobicContact CE1-CB 4.13Å; Y56-L105 HydrophobicContact CE1-CD1 4.08Å; Y56-L105 HydrophobicContact CE1-CG 4.32Å; Y56-L105 HydrophobicContact CE2-CB 4.48Å; Y56-L105 HydrophobicContact CE2-CD1 3.94Å; Y56-L105 HydrophobicContact CE2-CG 3.95Å; Y56-L105 HydrophobicContact CG-CD1 4.28Å; Y56-L105 PolarHBondContact OH-N 3.21Å; L85-L105 HydrophobicContact CD1-CB 4.05Å; L85-L105 HydrophobicContact CD1-CD1 4.32Å; L85-L105 HydrophobicContact CD1-CD2 4.49Å; L85-L105 HydrophobicContact CG-CD1 4.49Å; L85-L105 HydrophobicContact CG-CD2 4.43Å; F86-L105 HydrophobicContact CD1-CD2 3.84Å; F86-L105 HydrophobicContact CE1-CD1 4.23Å; F86-L105 HydrophobicContact CE1-CD2 4.3Å; T101-L105 HydrophobicContact CG2-CD2 4.15Å; T101-L105 HydrophobicContact CG2-CG 4.25Å; L103-L105 PolarHBondContact O-N 3.02Å; L105-I107 HydrophobicContact CB-CD1 4.23Å; L105-I107 HydrophobicContact CB-CG1 3.95Å; L105-I107 HydrophobicContact CD1-CD1 4.3Å; L105-I107 PolarHBondContact O-N 3.38Å
106	P	92.3	Very high	93.1	Very high	92 Å²	92	59.4 Å²	59.4	60%	0.597	33%	0.325	S	S	*	.	S	Bend	trans	-73.5	51.5	177.9	34.3	-38.1	0	0	0	111.8	L85	L85-P106 HydrophobicContact CD1-CG 4.38Å; L85-P106 WeakPolarHBondContact O-CD 3.46Å
107	I	87.8	Confident	93	Very high	29 Å²	29	56.4 Å²	56.4	15%	0.149	32%	0.315	C	S	.	.			trans	-127	141.6	175.6	62.8	-178.9	0	0	0	108.4	Y56 L85 L105 V112 I131	Y56-I107 HydrophobicContact CD1-CD1 3.79Å; Y56-I107 HydrophobicContact CD1-CG1 4.49Å; Y56-I107 HydrophobicContact CE1-CD1 3.67Å; Y56-I107 HydrophobicContact CE1-CG1 3.9Å; L85-I107 HydrophobicContact CD1-CG2 3.41Å; L85-I107 VanDerWaalsContact CD1-CG2 3.41Å; L105-I107 HydrophobicContact CB-CD1 4.23Å; L105-I107 HydrophobicContact CB-CG1 3.95Å; L105-I107 HydrophobicContact CD1-CD1 4.3Å; L105-I107 PolarHBondContact O-N 3.38Å; I107-V112 HydrophobicContact CB-CG2 4.2Å; I107-V112 HydrophobicContact CG2-CG2 3.92Å; I107-I131 HydrophobicContact CD1-CB 4.42Å; I107-I131 HydrophobicContact CD1-CG2 3.65Å
108	G	84.2	Confident	92.5	Very high	54 Å²	54	52.7 Å²	52.7	56%	0.557	30%	0.3	S	S	*	.			trans	-72.8	-155.9	174.1	0	0	0	0	0	112.4
109	S	82.6	Confident	91.6	Very high	90 Å²	90	55.2 Å²	55.2	63%	0.629	32%	0.318	S	S	*	.	S	Bend	trans	-76.7	-13.7	170.7	51.1	0	0	0	0	113.3
110	E	86.4	Confident	90.1	Very high	156 Å²	156	56.4 Å²	56.4	73%	0.729	33%	0.331	S	S	*	.	S	Bend	trans	-73	153.3	-179.9	-65.4	-167.3	170.1	0	0	112.2
111	K	90.9	Very high	88.2	Confident	110 Å²	110	62.3 Å²	62.3	48%	0.478	36%	0.358	S	S	.	.			trans	-78.4	127.6	177.6	-177.4	-177	176.9	-178.4	0	109	D113 S130 R132	K111-D113 WeakPolarHBondContact CE-OD1 3.45Å; K111-S130 WeakPolarHBondContact CE-OG 3.32Å; K111-S130 PolarHBondContact NZ-OG 3.29Å; K111-R132 HydrophobicContact CB-CB 4.46Å
112	V	93.3	Very high	86.6	Confident	49 Å²	49	64.9 Å²	64.9	30%	0.297	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.5	176.8	-171.4	0	0	0	0	109.4	I107 F114 S130 I131	I107-V112 HydrophobicContact CB-CG2 4.2Å; I107-V112 HydrophobicContact CG2-CG2 3.92Å; V112-F114 HydrophobicContact CB-CE2 3.87Å; V112-F114 HydrophobicContact CB-CZ 4.2Å; V112-F114 HydrophobicContact CG1-CD2 4.41Å; V112-F114 HydrophobicContact CG1-CE1 4.31Å; V112-F114 HydrophobicContact CG1-CE2 3.56Å; V112-F114 HydrophobicContact CG1-CZ 3.48Å; V112-F114 VanDerWaalsContact CG1-CZ 3.48Å; V112-S130 CarbonylContact O-C 3.47Å; V112-S130 VanDerWaalsContact O-CA 3.26Å; V112-S130 WeakPolarHBondContact O-CA 3.44Å; V112-I131 PolarHBondContact N-O 3.15Å; V112-I131 PolarHBondContact O-N 2.81Å
113	D	94.4	Very high	85.6	Confident	116 Å²	116	72.6 Å²	72.6	62%	0.62	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.7	-179.6	-69.3	-19.7	0	0	0	110.9	K111 V129 S130	K111-D113 WeakPolarHBondContact CE-OD1 3.45Å; D113-V129 CarbonylContact C-O 3.57Å; D113-V129 WeakPolarHBondContact CA-O 3.35Å; D113-S130 WeakPolarHBondContact OD1-CB 3.46Å
114	F	93.9	Very high	85.1	Confident	29 Å²	29	72.8 Å²	72.8	13%	0.127	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.8	179.9	-61.7	-87.2	0	0	0	109.6	F81 L85 V112 V116 V129 I131	F81-F114 AromaticContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CD1 3.78Å; F81-F114 HydrophobicContact CD1-CE1 4.08Å; F81-F114 HydrophobicContact CD2-CD1 4.21Å; F81-F114 AromaticContact CE1-CD1 3.77Å; F81-F114 HydrophobicContact CE1-CD1 3.77Å; F81-F114 HydrophobicContact CE1-CE1 4.43Å; F81-F114 HydrophobicContact CE2-CB 4.26Å; F81-F114 HydrophobicContact CE2-CD1 4.2Å; F81-F114 AromaticContact CG-CD1 4Å; F81-F114 HydrophobicContact CG-CD1 4Å; F81-F114 HydrophobicContact CG-CE1 4.34Å; F81-F114 HydrophobicContact CZ-CB 4.3Å; F81-F114 AromaticContact CZ-CD1 3.98Å; F81-F114 HydrophobicContact CZ-CD1 3.98Å; L85-F114 HydrophobicContact CD2-CE1 4.27Å; L85-F114 HydrophobicContact CD2-CE2 3.94Å; L85-F114 HydrophobicContact CD2-CZ 3.6Å; V112-F114 HydrophobicContact CB-CE2 3.87Å; V112-F114 HydrophobicContact CB-CZ 4.2Å; V112-F114 HydrophobicContact CG1-CD2 4.41Å; V112-F114 HydrophobicContact CG1-CE1 4.31Å; V112-F114 HydrophobicContact CG1-CE2 3.56Å; V112-F114 HydrophobicContact CG1-CZ 3.48Å; V112-F114 VanDerWaalsContact CG1-CZ 3.48Å; F114-V116 HydrophobicContact CB-CG2 4.45Å; F114-V129 PolarHBondContact N-O 3.23Å; F114-V129 PolarHBondContact O-N 3.25Å; F114-I131 HydrophobicContact CD2-CD1 4.38Å; F114-I131 HydrophobicContact CD2-CG1 4.5Å; F114-I131 HydrophobicContact CE2-CD1 4.11Å; F114-I131 HydrophobicContact CE2-CG1 4.39Å
115	E	94.8	Very high	84.7	Confident	113 Å²	113	75.4 Å²	75.4	53%	0.528	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.4	167.4	-169.2	166	103.8	0	0	109.2	F81 I126	F81-E115 WeakPolarHBondContact CZ-O 3.3Å; E115-I126 HydrophobicContact CG-CG2 3.44Å; E115-I126 VanDerWaalsContact CG-CG2 3.44Å
116	V	92.3	Very high	84.6	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.006	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.8	-176	-175.3	0	0	0	0	108.8	V73 Y76 M77 F81 F114 F127 V129	V73-V116 HydrophobicContact CG1-CB 4.32Å; V73-V116 HydrophobicContact CG1-CG1 4.16Å; Y76-V116 HydrophobicContact CD1-CG1 3.82Å; Y76-V116 HydrophobicContact CG-CG1 4.47Å; M77-V116 HydrophobicContact CB-CG1 4.28Å; M77-V116 HydrophobicContact CB-CG2 3.84Å; M77-V116 HydrophobicContact CG-CG2 3.89Å; M77-V116 HydrophobicContact SD-CG2 4.25Å; F81-V116 HydrophobicContact CE2-CG2 4.19Å; F114-V116 HydrophobicContact CB-CG2 4.45Å; V116-F127 HydrophobicContact CB-CB 4.46Å; V116-F127 PolarHBondContact N-O 3Å; V116-F127 PolarHBondContact O-N 3.41Å; V116-V129 HydrophobicContact CB-CG2 4.11Å; V116-V129 HydrophobicContact CG2-CB 4.09Å; V116-V129 HydrophobicContact CG2-CG2 3.59Å
117	T	91.1	Very high	84.7	Confident	46 Å²	46	75.8 Å²	75.8	28%	0.282	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.6	-179.9	-58.3	0	0	0	0	110.1	Y76 D124 I126	Y76-T117 WeakPolarHBondContact CE1-O 3.41Å; Y76-T117 VanDerWaalsContact CZ-O 3.29Å; T117-D124 HydrophobicContact CG2-CB 3.75Å; T117-I126 HydrophobicContact CG2-CG1 4.38Å
118	I	86.1	Confident	85.1	Confident	15 Å²	15	81.1 Å²	81.1	8%	0.077	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.6	174.1	-56.1	-176.8	0	0	0	109.3	E72 V73 G120 R125 F127	E72-I118 HydrophobicContact CB-CD1 4.4Å; V73-I118 HydrophobicContact CB-CD1 4.11Å; V73-I118 HydrophobicContact CG2-CD1 3.48Å; V73-I118 VanDerWaalsContact CG2-CD1 3.48Å; I118-G120 PolarHBondContact O-N 3.11Å; I118-R125 PolarHBondContact N-O 2.89Å; I118-R125 PolarHBondContact O-N 3.44Å; I118-F127 HydrophobicContact CB-CE2 4.41Å; I118-F127 HydrophobicContact CD1-CD2 4.12Å; I118-F127 HydrophobicContact CD1-CE2 3.76Å; I118-F127 HydrophobicContact CG1-CD2 4.16Å; I118-F127 HydrophobicContact CG1-CE2 4.07Å
119	P	79.3	Confident	85.7	Confident	85 Å²	85	78.6 Å²	78.6	55%	0.552	41%	0.411	S	S	*	.			trans	-55.5	126.7	171.7	-22.3	32	0	0	0	111.1
120	G	66.5	Low	86.4	Confident	26 Å²	26	74.6 Å²	74.6	27%	0.268	38%	0.383	S	S	.	.			trans	-110.4	159.3	176.5	0	0	0	0	0	112.5	I118 G122 K123	I118-G120 PolarHBondContact O-N 3.11Å; G120-G122 PolarHBondContact O-N 3.43Å; G120-K123 WeakPolarHBondContact CA-O 3.49Å
121	E	58.7	Low	86.9	Confident	128 Å²	128	67.2 Å²	67.2	60%	0.598	35%	0.349	S	S	*	.	S	Bend	trans	-70	82.8	168.1	-70.1	-179.1	-158.9	0	0	109.4	K275	E121-K275 PolarHBondContact OE2-N 3.43Å
122	G	63.6	Low	87.1	Confident	55 Å²	55	67.1 Å²	67.1	57%	0.567	35%	0.345	S	S	*	.	S	Bend	trans	110.9	-37.4	174.9	0	0	0	0	0	116.1	G120	G120-G122 PolarHBondContact O-N 3.43Å
123	K	74.7	Confident	87.2	Confident	181 Å²	181	69.5 Å²	69.5	79%	0.787	35%	0.349	S	S	*	.	S	Bend	trans	-137.7	131.9	173.2	-77.8	-169.6	176.8	-172.4	0	110.3	G120	G120-K123 WeakPolarHBondContact CA-O 3.49Å
124	D	84.1	Confident	87.2	Confident	107 Å²	107	67.8 Å²	67.8	57%	0.572	34%	0.34	S	S	*	.			trans	-61.2	144.4	172.7	-66	-19.6	0	0	0	110.9	T117	T117-D124 HydrophobicContact CG2-CB 3.75Å
125	R	88	Confident	87.3	Confident	96 Å²	96	68 Å²	68	36%	0.362	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.7	179.5	-65	179.8	-68.2	163.6	-0.1	108.3	I118 F127	I118-R125 PolarHBondContact N-O 2.89Å; I118-R125 PolarHBondContact O-N 3.44Å; R125-F127 HydrophobicContact CB-CD2 4.36Å; R125-F127 HydrophobicContact CB-CE2 3.56Å; R125-F127 HydrophobicContact CB-CZ 4.15Å; R125-F127 WeakPolarHBondContact O-CD2 3.4Å
126	I	91.8	Very high	87.4	Confident	98 Å²	98	68.3 Å²	68.3	50%	0.503	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.2	178.5	-55.2	174.2	0	0	0	108.8	E115 T117	E115-I126 HydrophobicContact CG-CG2 3.44Å; E115-I126 VanDerWaalsContact CG-CG2 3.44Å; T117-I126 HydrophobicContact CG2-CG1 4.38Å
127	F	94.9	Very high	87.6	Confident	7 Å²	7	68.7 Å²	68.7	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.9	176.7	-65.4	-92.2	0	0	0	109.8	I60 K61 P62 V69 V73 V116 I118 R125 V129	I60-F127 HydrophobicContact CG2-CB 4.42Å; I60-F127 HydrophobicContact CG2-CD1 3.87Å; K61-F127 WeakPolarHBondContact O-CA 3.41Å; P62-F127 HydrophobicContact CG-CE1 4.27Å; V69-F127 HydrophobicContact CG1-CE1 4.4Å; V69-F127 HydrophobicContact CG1-CZ 3.98Å; V73-F127 HydrophobicContact CG1-CB 4.15Å; V73-F127 HydrophobicContact CG1-CG 4.31Å; V73-F127 HydrophobicContact CG2-CB 4.48Å; V73-F127 HydrophobicContact CG2-CD1 3.88Å; V73-F127 HydrophobicContact CG2-CD2 3.78Å; V73-F127 HydrophobicContact CG2-CE1 3.98Å; V73-F127 HydrophobicContact CG2-CE2 3.87Å; V73-F127 HydrophobicContact CG2-CG 3.78Å; V73-F127 HydrophobicContact CG2-CZ 3.98Å; V116-F127 HydrophobicContact CB-CB 4.46Å; V116-F127 PolarHBondContact N-O 3Å; V116-F127 PolarHBondContact O-N 3.41Å; I118-F127 HydrophobicContact CB-CE2 4.41Å; I118-F127 HydrophobicContact CD1-CD2 4.12Å; I118-F127 HydrophobicContact CD1-CE2 3.76Å; I118-F127 HydrophobicContact CG1-CD2 4.16Å; I118-F127 HydrophobicContact CG1-CE2 4.07Å; R125-F127 HydrophobicContact CB-CD2 4.36Å; R125-F127 HydrophobicContact CB-CE2 3.56Å; R125-F127 HydrophobicContact CB-CZ 4.15Å; R125-F127 WeakPolarHBondContact O-CD2 3.4Å; F127-V129 HydrophobicContact CB-CG2 4.21Å
128	K	96.2	Very high	87.8	Confident	141 Å²	141	68 Å²	68	61%	0.613	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	113	167.6	-64.3	-173.9	177.6	-169.9	0	107.6	K61	K61-K128 HydrophobicContact CB-CB 4.33Å; K61-K128 PolarHBondContact N-O 3.09Å; K61-K128 PolarHBondContact O-N 3.39Å
129	V	96.9	Very high	88.2	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.1	-178.4	-174.3	0	0	0	0	108.2	V58 D59 I60 V73 M77 D113 F114 V116 F127	V58-V129 HydrophobicContact CG2-CG1 3.54Å; D59-V129 CarbonylContact O-C 3.56Å; D59-V129 WeakPolarHBondContact O-CA 3.42Å; I60-V129 HydrophobicContact CG1-CG1 4.17Å; I60-V129 HydrophobicContact CG1-CG2 4.29Å; I60-V129 HydrophobicContact CG2-CG2 4.4Å; V73-V129 HydrophobicContact CG1-CG2 3.52Å; M77-V129 HydrophobicContact CE-CG1 4.14Å; M77-V129 HydrophobicContact SD-CB 4.02Å; M77-V129 HydrophobicContact SD-CG1 3.52Å; M77-V129 VanDerWaalsContact SD-CG1 3.52Å; D113-V129 CarbonylContact C-O 3.57Å; D113-V129 WeakPolarHBondContact CA-O 3.35Å; F114-V129 PolarHBondContact N-O 3.23Å; F114-V129 PolarHBondContact O-N 3.25Å; V116-V129 HydrophobicContact CB-CG2 4.11Å; V116-V129 HydrophobicContact CG2-CB 4.09Å; V116-V129 HydrophobicContact CG2-CG2 3.59Å; F127-V129 HydrophobicContact CB-CG2 4.21Å
130	S	95.9	Very high	88.9	Confident	7 Å²	7	69.6 Å²	69.6	5%	0.049	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.3	178.3	62.6	0	0	0	0	111.5	V58 D59 K111 V112 D113	V58-S130 CarbonylContact C-O 3.57Å; V58-S130 VanDerWaalsContact CA-O 3.26Å; V58-S130 WeakPolarHBondContact CA-O 3.46Å; D59-S130 WeakPolarHBondContact CB-OG 3.42Å; D59-S130 PolarHBondContact N-O 2.8Å; D59-S130 PolarHBondContact O-N 3.09Å; D59-S130 PolarHBondContact O-OG 2.9Å; K111-S130 WeakPolarHBondContact CE-OG 3.32Å; K111-S130 PolarHBondContact NZ-OG 3.29Å; V112-S130 CarbonylContact O-C 3.47Å; V112-S130 VanDerWaalsContact O-CA 3.26Å; V112-S130 WeakPolarHBondContact O-CA 3.44Å; D113-S130 WeakPolarHBondContact OD1-CB 3.46Å
131	I	96.8	Very high	90.1	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134	-175	-58.2	176.2	0	0	0	108.5	Y56 E57 V58 M77 L85 F86 I107 V112 F114	Y56-I131 HydrophobicContact CD1-CG2 4.03Å; Y56-I131 HydrophobicContact CG-CG2 4.27Å; E57-I131 WeakPolarHBondContact O-CA 3.31Å; V58-I131 HydrophobicContact CG2-CG1 4.4Å; M77-I131 HydrophobicContact CE-CD1 3.74Å; M77-I131 HydrophobicContact CE-CG1 4.49Å; M77-I131 HydrophobicContact SD-CD1 3.93Å; L85-I131 HydrophobicContact CD2-CD1 3.76Å; F86-I131 HydrophobicContact CZ-CD1 4.07Å; I107-I131 HydrophobicContact CD1-CB 4.42Å; I107-I131 HydrophobicContact CD1-CG2 3.65Å; V112-I131 PolarHBondContact N-O 3.15Å; V112-I131 PolarHBondContact O-N 2.81Å; F114-I131 HydrophobicContact CD2-CD1 4.38Å; F114-I131 HydrophobicContact CD2-CG1 4.5Å; F114-I131 HydrophobicContact CE2-CD1 4.11Å; F114-I131 HydrophobicContact CE2-CG1 4.39Å
132	R	96	Very high	91.7	Very high	107 Å²	107	65.6 Å²	65.6	40%	0.404	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134	175.7	179.8	177.9	62.2	165.8	-0.2	110	Y56 E57 K111	Y56-R132 CarbonylContact C-O 3.53Å; Y56-R132 VanDerWaalsContact CA-O 3.28Å; Y56-R132 WeakPolarHBondContact CA-O 3.43Å; E57-R132 PolarHBondContact N-O 2.92Å; E57-R132 PolarHBondContact O-N 3.01Å; E57-R132 IonicContact OE2-CZ 3.62Å; E57-R132 IonicContact OE2-NE 3.6Å; E57-R132 IonicContact OE2-NH2 2.68Å; E57-R132 PolarHBondContact OE2-NH2 2.8Å; K111-R132 HydrophobicContact CB-CB 4.46Å
133	W	96.1	Very high	93	Very high	99 Å²	99	65 Å²	65	38%	0.375	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.8	171	178.1	79.8	0	0	0	110.8	Y56 A135 K136	Y56-W133 HydrophobicContact CD1-CB 3.98Å; Y56-W133 HydrophobicContact CE1-CB 3.79Å; Y56-W133 AromaticContact CE1-CD1 3.76Å; Y56-W133 HydrophobicContact CE1-CG 4.19Å; Y56-W133 AromaticContact CZ-CD1 4Å; W133-A135 PolarHBondContact NE1-O 3.44Å; W133-K136 HydrophobicContact CZ2-CG 4.42Å
134	L	94.7	Very high	93.7	Very high	81 Å²	81	61.2 Å²	61.2	42%	0.424	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-53	-177.9	-164.3	75.4	0	0	0	112.4	H55	H55-L134 WeakPolarHBondContact CE1-CD2 3.49Å; H55-L134 PolarHBondContact O-N 2.86Å
135	A	95.4	Very high	93.9	Very high	33 Å²	33	56.2 Å²	56.2	27%	0.273	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164.8	-172.9	0	0	0	0	0	113	H55 W133	H55-A135 PolarHBondContact N-O 3.04Å; H55-A135 PolarHBondContact O-N 3.47Å; W133-A135 PolarHBondContact NE1-O 3.44Å
136	K	95.6	Very high	93.9	Very high	120 Å²	120	51.9 Å²	51.9	52%	0.522	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	158.9	-75.3	-176.9	176.3	-176.8	0	109.2	Y54 W133	Y54-K136 HydrophobicContact CD1-CG 4.34Å; Y54-K136 HydrophobicContact CE1-CD 4.44Å; Y54-K136 HydrophobicContact CE1-CG 4.23Å; W133-K136 HydrophobicContact CZ2-CG 4.42Å
137	V	96.4	Very high	93.6	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.9	180	178.6	0	0	0	0	108.4	D52 V53 H55 Y100 S157 A160	D52-V137 WeakPolarHBondContact CA-O 3.35Å; V53-V137 HydrophobicContact CB-CB 4.39Å; V53-V137 PolarHBondContact N-O 3.14Å; V53-V137 PolarHBondContact O-N 2.9Å; H55-V137 HydrophobicContact CB-CG2 3.99Å; Y100-V137 HydrophobicContact CE1-CG2 4.4Å; V137-S157 VanDerWaalsContact CG1-CA 3.43Å; V137-S157 WeakPolarHBondContact CG1-OG 3.43Å; V137-A160 HydrophobicContact CG1-CB 4.13Å
138	S	95.8	Very high	93.1	Very high	32 Å²	32	53.7 Å²	53.7	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.9	-172.9	-163.1	0	0	0	0	112.9	D52 R140 L141 L142 S157	D52-S138 WeakPolarHBondContact OD1-CA 3.48Å; D52-S138 VanDerWaalsContact OD1-CB 3.24Å; D52-S138 WeakPolarHBondContact OD1-CB 3.44Å; D52-S138 PolarHBondContact OD1-OG 3.38Å; S138-R140 VanDerWaalsContact C-N 3.28Å; S138-L141 PolarHBondContact O-N 3.32Å; S138-L142 PolarHBondContact O-N 3.03Å; S138-S157 PolarHBondContact O-OG 3.44Å
139	W	95.1	Very high	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-75.6	-19.3	171.6	-74.8	-6.7	0	0	0	113.1	I48 P49 M51 V53 L142 Q143 S157 L161 F396 I398	I48-W139 HydrophobicContact CB-CE3 4.36Å; I48-W139 HydrophobicContact CD1-CB 4.39Å; P49-W139 HydrophobicContact CG-CE3 4.06Å; P49-W139 HydrophobicContact CG-CZ3 4.16Å; M51-W139 HydrophobicContact CE-CE3 3.89Å; M51-W139 HydrophobicContact CE-CZ3 3.61Å; M51-W139 HydrophobicContact CG-CE3 4.41Å; M51-W139 WeakPolarHBondContact O-CB 2.92Å; M51-W139 PolarHBondContact O-N 2.88Å; V53-W139 HydrophobicContact CG2-CD2 3.85Å; V53-W139 HydrophobicContact CG2-CE3 4.04Å; V53-W139 HydrophobicContact CG2-CG 4.43Å; V53-W139 HydrophobicContact CG2-CH2 4.14Å; V53-W139 HydrophobicContact CG2-CZ2 3.94Å; V53-W139 HydrophobicContact CG2-CZ3 4.19Å; W139-L142 PolarHBondContact O-N 3.48Å; W139-Q143 PolarHBondContact O-N 3.37Å; W139-Q143 VanDerWaalsContact O-N 3.07Å; W139-S157 PolarHBondContact NE1-O 2.88Å; W139-L161 HydrophobicContact CH2-CD1 3.97Å; W139-L161 HydrophobicContact CZ2-CB 3.98Å; W139-L161 HydrophobicContact CZ2-CD1 3.95Å; W139-F396 HydrophobicContact CH2-CB 4.07Å; W139-F396 AromaticContact CH2-CD1 3.49Å; W139-F396 HydrophobicContact CH2-CD1 3.49Å; W139-F396 VanDerWaalsContact CH2-CD1 3.49Å; W139-F396 HydrophobicContact CH2-CE1 4.39Å; W139-F396 HydrophobicContact CH2-CG 4.21Å; W139-F396 HydrophobicContact CZ2-CD1 4.25Å; W139-F396 HydrophobicContact CZ3-CB 4.26Å; W139-F396 HydrophobicContact CZ3-CD1 4.09Å; W139-I398 HydrophobicContact CH2-CD1 3.89Å; W139-I398 HydrophobicContact CH2-CG1 4.15Å; W139-I398 HydrophobicContact CZ3-CD1 4.34Å; W139-I398 HydrophobicContact CZ3-CG1 4.08Å
140	R	93.4	Very high	91.3	Very high	133 Å²	133	57.6 Å²	57.6	50%	0.502	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-49.9	167.3	-177	-178.1	-62	172.4	1.4	110.8	S138 L142 Q143 E144	S138-R140 VanDerWaalsContact C-N 3.28Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.28Å; R140-Q143 PolarHBondContact O-N 2.93Å; R140-E144 VanDerWaalsContact CG-OE1 3.31Å; R140-E144 WeakPolarHBondContact CG-OE1 3.38Å; R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 3.04Å
141	L	92	Very high	90.6	Very high	70 Å²	70	61.7 Å²	61.7	37%	0.366	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-40.1	177.3	179.9	62.9	0	0	0	112	S138 E144 T145 L151 P154	S138-L141 PolarHBondContact O-N 3.32Å; L141-E144 PolarHBondContact O-N 3.01Å; L141-T145 WeakPolarHBondContact O-CB 3.44Å; L141-T145 PolarHBondContact O-N 3.1Å; L141-T145 PolarHBondContact O-OG1 3.45Å; L141-L151 HydrophobicContact CD1-CD1 3.73Å; L141-P154 HydrophobicContact CD2-CB 4.49Å; L141-P154 HydrophobicContact CG-CG 4.4Å
142	L	92.9	Very high	90.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-50.6	175.6	178.2	58.6	0	0	0	110.8	I48 S138 W139 R140 T145 L146 V153 P154 V158 M212	I48-L142 HydrophobicContact CD1-CD2 3.83Å; I48-L142 HydrophobicContact CD1-CG 4.24Å; S138-L142 PolarHBondContact O-N 3.03Å; W139-L142 PolarHBondContact O-N 3.48Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.28Å; L142-T145 WeakPolarHBondContact O-CB 3.36Å; L142-T145 PolarHBondContact O-N 3.17Å; L142-L146 HydrophobicContact CD1-CD1 4.29Å; L142-L146 HydrophobicContact CD1-CG 4.32Å; L142-L146 HydrophobicContact CG-CD1 4.23Å; L142-L146 VanDerWaalsContact O-CG 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.46Å; L142-L146 PolarHBondContact O-N 3.06Å; L142-V153 HydrophobicContact CD1-CG1 3.94Å; L142-P154 HydrophobicContact CB-CG 3.99Å; L142-P154 HydrophobicContact CD1-CG 3.99Å; L142-V158 HydrophobicContact CD1-CG2 3.96Å; L142-V158 HydrophobicContact CD2-CG2 4.45Å; L142-M212 HydrophobicContact CD1-SD 4.12Å; L142-M212 HydrophobicContact CD2-CG 4.17Å; L142-M212 HydrophobicContact CD2-SD 3.97Å; L142-M212 HydrophobicContact CG-SD 4.25Å
143	Q	89.9	Confident	89.8	Confident	43 Å²	43	61 Å²	61	20%	0.201	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-46.1	178.6	-70.6	-170.2	-29.4	0	0	113.2	I48 W139 R140 T145 L146 V147	I48-Q143 HydrophobicContact CD1-CG 3.7Å; I48-Q143 HydrophobicContact CG1-CG 3.67Å; I48-Q143 PolarHBondContact O-NE2 2.82Å; W139-Q143 PolarHBondContact O-N 3.37Å; W139-Q143 VanDerWaalsContact O-N 3.07Å; R140-Q143 PolarHBondContact O-N 2.93Å; Q143-T145 PolarHBondContact O-N 2.91Å; Q143-L146 PolarHBondContact O-N 3.14Å; Q143-L146 VanDerWaalsContact O-N 3.17Å; Q143-V147 WeakPolarHBondContact O-CG2 3.3Å; Q143-V147 PolarHBondContact O-N 3.36Å; Q143-V147 VanDerWaalsContact O-N 3.08Å
144	E	89.1	Confident	89.6	Confident	101 Å²	101	57.6 Å²	57.6	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-36.1	177.4	-72.5	171.1	-171.9	0	0	111.5	R140 L141 S148	R140-E144 VanDerWaalsContact CG-OE1 3.31Å; R140-E144 WeakPolarHBondContact CG-OE1 3.38Å; R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 3.04Å; L141-E144 PolarHBondContact O-N 3.01Å; E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.47Å; E144-S148 PolarHBondContact O-OG 2.91Å
145	T	88.9	Confident	89.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-42.4	176.5	-57.6	0	0	0	0	112.2	L141 L142 Q143 V147 G149 L151 V153	L141-T145 WeakPolarHBondContact O-CB 3.44Å; L141-T145 PolarHBondContact O-N 3.1Å; L141-T145 PolarHBondContact O-OG1 3.45Å; L142-T145 WeakPolarHBondContact O-CB 3.36Å; L142-T145 PolarHBondContact O-N 3.17Å; Q143-T145 PolarHBondContact O-N 2.91Å; T145-V147 VanDerWaalsContact C-N 3.31Å; T145-V147 PolarHBondContact O-N 2.94Å; T145-G149 VanDerWaalsContact O-CA 3.31Å; T145-G149 WeakPolarHBondContact O-CA 3.39Å; T145-G149 PolarHBondContact O-N 3.27Å; T145-L151 HydrophobicContact CG2-CB 4.06Å; T145-L151 WeakPolarHBondContact CG2-O 3.48Å; T145-V153 HydrophobicContact CG2-CG2 4.35Å
146	L	88.5	Confident	89.2	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-31.9	179.2	-63.4	170	0	0	0	112.9	L142 Q143 P207 W210 M212 P742	L142-L146 HydrophobicContact CD1-CD1 4.29Å; L142-L146 HydrophobicContact CD1-CG 4.32Å; L142-L146 HydrophobicContact CG-CD1 4.23Å; L142-L146 VanDerWaalsContact O-CG 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.46Å; L142-L146 PolarHBondContact O-N 3.06Å; Q143-L146 PolarHBondContact O-N 3.14Å; Q143-L146 VanDerWaalsContact O-N 3.17Å; L146-P207 HydrophobicContact CD2-CB 3.6Å; L146-W210 PolarHBondContact O-N 2.86Å; L146-M212 HydrophobicContact CD1-CG 3.78Å; L146-M212 HydrophobicContact CD1-SD 3.57Å; L146-M212 VanDerWaalsContact CD1-SD 3.57Å; L146-M212 HydrophobicContact CD2-SD 4.26Å; L146-M212 HydrophobicContact CG-SD 4.49Å; L146-P742 HydrophobicContact CD2-CB 4.35Å; L146-P742 HydrophobicContact CD2-CG 4.09Å
147	V	85.8	Confident	89.2	Confident	87 Å²	87	56.7 Å²	56.7	53%	0.527	28%	0.284	S	S	.	.	H	α-helix	trans	-85.7	-45.3	179.6	177.1	0	0	0	0	111.9	Q143 T145 W210	Q143-V147 WeakPolarHBondContact O-CG2 3.3Å; Q143-V147 PolarHBondContact O-N 3.36Å; Q143-V147 VanDerWaalsContact O-N 3.08Å; T145-V147 VanDerWaalsContact C-N 3.31Å; T145-V147 PolarHBondContact O-N 2.94Å; V147-W210 HydrophobicContact CG1-CE3 4.41Å; V147-W210 HydrophobicContact CG1-CZ3 4.43Å; V147-W210 WeakPolarHBondContact O-CZ3 3.31Å
148	S	83.3	Confident	89.1	Confident	55 Å²	55	57.2 Å²	57.2	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-79.4	-29.6	-176.8	69.2	0	0	0	0	113.1	E144 R150	E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.47Å; E144-S148 PolarHBondContact O-OG 2.91Å; S148-R150 PolarHBondContact O-N 2.84Å; S148-R150 PolarHBondContact OG-N 2.99Å
149	G	78.1	Confident	89.1	Confident	11 Å²	11	59.5 Å²	59.5	11%	0.113	29%	0.294	C	S	.	.			trans	61.9	5.3	-171.1	0	0	0	0	0	114.7	R26 T145	R26-G149 PolarHBondContact NH2-O 3.49Å; T145-G149 VanDerWaalsContact O-CA 3.31Å; T145-G149 WeakPolarHBondContact O-CA 3.39Å; T145-G149 PolarHBondContact O-N 3.27Å
150	R	76.8	Confident	89.2	Confident	213 Å²	213	59.5 Å²	59.5	80%	0.804	29%	0.294	S	S	*	.			trans	-82.4	-29.1	-170.5	-67.6	-177.3	-176	-175.7	0	113.9	S148	S148-R150 PolarHBondContact O-N 2.84Å; S148-R150 PolarHBondContact OG-N 2.99Å
151	L	82	Confident	89.4	Confident	93 Å²	93	53.1 Å²	53.1	49%	0.487	27%	0.27	S	S	.	.	S	Bend	trans	-103.4	160	-178.4	-62.4	175	0	0	0	110.6	L141 T145 Y743	L141-L151 HydrophobicContact CD1-CD1 3.73Å; T145-L151 HydrophobicContact CG2-CB 4.06Å; T145-L151 WeakPolarHBondContact CG2-O 3.48Å; L151-Y743 VanDerWaalsContact O-CE1 3.22Å; L151-Y743 WeakPolarHBondContact O-CE1 3.33Å
152	Q	86	Confident	89.5	Confident	83 Å²	83	51.1 Å²	51.1	39%	0.388	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-69	140.4	169.3	-72.5	-171.1	7	0	0	110	H23 P154 Y743	H23-Q152 PolarHBondContact CE1-NE2 3.28Å; H23-Q152 PolarHBondContact ND1-NE2 2.77Å; Q152-P154 WeakPolarHBondContact O-CD 3.49Å; Q152-Y743 WeakPolarHBondContact CA-OH 3.37Å
153	V	89.7	Confident	89.7	Confident	12 Å²	12	51.6 Å²	51.6	7%	0.073	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-57.4	123.2	176.6	-179	0	0	0	0	110	L142 T145 L155 V158 P207 P742 Y743	L142-V153 HydrophobicContact CD1-CG1 3.94Å; T145-V153 HydrophobicContact CG2-CG2 4.35Å; V153-L155 PolarHBondContact O-N 3.2Å; V153-V158 HydrophobicContact CG1-CG2 3.75Å; V153-P207 HydrophobicContact CG1-CB 4.12Å; V153-P207 HydrophobicContact CG1-CG 4.22Å; V153-P207 HydrophobicContact CG2-CB 4.41Å; V153-P742 HydrophobicContact CG2-CG 3.91Å; V153-Y743 HydrophobicContact CG2-CE1 3.74Å; V153-Y743 PolarHBondContact N-OH 3.41Å; V153-Y743 VanDerWaalsContact N-OH 3.15Å
154	P	91.8	Very high	90	Very high	26 Å²	26	49.6 Å²	49.6	17%	0.169	25%	0.253	C	S	.	.			trans	-71.6	98.9	179.1	27.2	-32.6	0	0	0	110.2	L141 L142 Q152 D156 S157 V158	L141-P154 HydrophobicContact CD2-CB 4.49Å; L141-P154 HydrophobicContact CG-CG 4.4Å; L142-P154 HydrophobicContact CB-CG 3.99Å; L142-P154 HydrophobicContact CD1-CG 3.99Å; Q152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-D156 VanDerWaalsContact C-N 3.26Å; P154-D156 PolarHBondContact O-N 3.33Å; P154-S157 WeakPolarHBondContact O-CB 3.4Å; P154-S157 PolarHBondContact O-N 3.14Å; P154-V158 PolarHBondContact O-N 2.73Å
155	L	90.5	Very high	90.4	Very high	104 Å²	104	44.8 Å²	44.8	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-34.5	-174.2	-64.9	-179.7	0	0	0	113.2	V153 S157 V158 Q159	V153-L155 PolarHBondContact O-N 3.2Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.25Å; L155-V158 PolarHBondContact O-N 3.08Å; L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 PolarHBondContact O-N 3.38Å
156	D	92.5	Very high	90.7	Very high	107 Å²	107	46.3 Å²	46.3	57%	0.572	24%	0.236	S	C	*	.	H	α-helix	trans	-64.8	-33.4	177.6	-59.5	-17.3	0	0	0	111.5	P154 Q159 A160	P154-D156 VanDerWaalsContact C-N 3.26Å; P154-D156 PolarHBondContact O-N 3.33Å; D156-Q159 PolarHBondContact O-N 2.91Å; D156-A160 WeakPolarHBondContact O-CB 3.19Å; D156-A160 PolarHBondContact O-N 3.21Å
157	S	95.3	Very high	91	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-41.8	174.2	-61.8	0	0	0	0	112.1	V137 S138 W139 P154 L155 Q159 A160 L161	V137-S157 VanDerWaalsContact CG1-CA 3.43Å; V137-S157 WeakPolarHBondContact CG1-OG 3.43Å; S138-S157 PolarHBondContact O-OG 3.44Å; W139-S157 PolarHBondContact NE1-O 2.88Å; P154-S157 WeakPolarHBondContact O-CB 3.4Å; P154-S157 PolarHBondContact O-N 3.14Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.25Å; S157-Q159 VanDerWaalsContact C-N 3.32Å; S157-A160 PolarHBondContact O-N 3.44Å; S157-L161 PolarHBondContact O-N 3.45Å; S157-L161 VanDerWaalsContact O-N 3.11Å
158	V	94.8	Very high	91.5	Very high	20 Å²	20	43.1 Å²	43.1	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.2	179.8	0	0	0	0	110.5	L142 V153 P154 L155 L161 D162 M212	L142-V158 HydrophobicContact CD1-CG2 3.96Å; L142-V158 HydrophobicContact CD2-CG2 4.45Å; V153-V158 HydrophobicContact CG1-CG2 3.75Å; P154-V158 PolarHBondContact O-N 2.73Å; L155-V158 PolarHBondContact O-N 3.08Å; V158-L161 PolarHBondContact O-N 3.48Å; V158-D162 WeakPolarHBondContact O-CB 3.43Å; V158-D162 PolarHBondContact O-N 3.34Å; V158-M212 HydrophobicContact CG1-CE 4.08Å; V158-M212 HydrophobicContact CG2-CE 4.09Å
159	Q	95.1	Very high	91.9	Very high	79 Å²	79	41 Å²	41	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-65.1	-44.4	176.7	-178.9	175.7	-13.6	0	0	112.1	L155 D156 S157 L161 D162 V163	L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 PolarHBondContact O-N 3.38Å; D156-Q159 PolarHBondContact O-N 2.91Å; S157-Q159 VanDerWaalsContact C-N 3.32Å; Q159-L161 VanDerWaalsContact C-N 3.3Å; Q159-L161 PolarHBondContact O-N 3.27Å; Q159-D162 PolarHBondContact O-N 3.11Å; Q159-V163 HydrophobicContact CG-CG2 4.44Å; Q159-V163 VanDerWaalsContact O-CG2 3.31Å; Q159-V163 WeakPolarHBondContact O-CG2 3.22Å; Q159-V163 PolarHBondContact O-N 3.5Å
160	A	96.8	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-44.4	176.2	0	0	0	0	0	111.4	Y100 V137 D156 S157 V163 A164	Y100-A160 HydrophobicContact CD1-CB 3.8Å; Y100-A160 HydrophobicContact CE1-CB 3.64Å; Y100-A160 HydrophobicContact CE2-CB 4.47Å; Y100-A160 HydrophobicContact CG-CB 4.28Å; V137-A160 HydrophobicContact CG1-CB 4.13Å; D156-A160 WeakPolarHBondContact O-CB 3.19Å; D156-A160 PolarHBondContact O-N 3.21Å; S157-A160 PolarHBondContact O-N 3.44Å; A160-V163 PolarHBondContact O-N 2.85Å; A160-A164 PolarHBondContact O-N 3.28Å
161	L	96.8	Very high	93.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-43.9	176.2	-175.8	60	0	0	0	112.3	I48 W139 S157 V158 Q159 V163 A164 M165 V205 M212 I398	I48-L161 HydrophobicContact CG2-CD1 3.93Å; I48-L161 HydrophobicContact CG2-CD2 3.78Å; W139-L161 HydrophobicContact CH2-CD1 3.97Å; W139-L161 HydrophobicContact CZ2-CB 3.98Å; W139-L161 HydrophobicContact CZ2-CD1 3.95Å; S157-L161 PolarHBondContact O-N 3.45Å; S157-L161 VanDerWaalsContact O-N 3.11Å; V158-L161 PolarHBondContact O-N 3.48Å; Q159-L161 VanDerWaalsContact C-N 3.3Å; Q159-L161 PolarHBondContact O-N 3.27Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 3Å; L161-A164 PolarHBondContact O-N 3.22Å; L161-M165 HydrophobicContact CD1-CG 4.25Å; L161-M165 HydrophobicContact CD1-SD 4.32Å; L161-M165 HydrophobicContact CG-SD 4.39Å; L161-M165 WeakPolarHBondContact O-CG 3.14Å; L161-M165 PolarHBondContact O-N 2.84Å; L161-V205 HydrophobicContact CD2-CG1 3.66Å; L161-V205 HydrophobicContact CG-CG1 3.96Å; L161-M212 HydrophobicContact CD2-CB 4.12Å; L161-M212 HydrophobicContact CD2-CE 4.09Å; L161-M212 HydrophobicContact CD2-CG 3.89Å; L161-I398 HydrophobicContact CD1-CD1 3.45Å; L161-I398 VanDerWaalsContact CD1-CD1 3.45Å; L161-I398 HydrophobicContact CD1-CG1 3.96Å
162	D	95.2	Very high	93.8	Very high	27 Å²	27	37.7 Å²	37.7	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-37.4	176.6	-175.2	78.1	0	0	0	112.3	V158 Q159 R166 V205	V158-D162 WeakPolarHBondContact O-CB 3.43Å; V158-D162 PolarHBondContact O-N 3.34Å; Q159-D162 PolarHBondContact O-N 3.11Å; D162-R166 VanDerWaalsContact CG-CZ 3.43Å; D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.45Å; D162-R166 VanDerWaalsContact O-CG 3.3Å; D162-R166 WeakPolarHBondContact O-CG 3.43Å; D162-R166 PolarHBondContact O-N 3.37Å; D162-R166 IonicContact OD1-CZ 3.07Å; D162-R166 IonicContact OD1-NE 3.81Å; D162-R166 PolarHBondContact OD1-NE 3.02Å; D162-R166 IonicContact OD1-NH1 2.97Å; D162-R166 PolarHBondContact OD1-NH1 3.19Å; D162-R166 IonicContact OD1-NH2 3.49Å; D162-R166 PolarHBondContact OD1-NH2 2.62Å; D162-R166 IonicContact OD2-CZ 3.84Å; D162-R166 IonicContact OD2-NE 2.73Å; D162-R166 IonicContact OD2-NH1 3.1Å; D162-R166 PolarHBondContact OD2-NH1 3.35Å; D162-R166 IonicContact OD2-NH2 3.07Å; D162-R166 PolarHBondContact OD2-NH2 3.4Å; D162-V205 HydrophobicContact CB-CB 4.32Å; D162-V205 HydrophobicContact CB-CG2 4.35Å
163	V	96.8	Very high	94.2	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-44.6	175.2	172.2	0	0	0	0	111	V92 D94 Y100 Q159 A160 L161 R166 H167	V92-V163 HydrophobicContact CB-CG1 4.35Å; V92-V163 HydrophobicContact CG2-CG1 4.15Å; D94-V163 HydrophobicContact CB-CG1 4.21Å; D94-V163 HydrophobicContact CB-CG2 3.77Å; Y100-V163 HydrophobicContact CD2-CB 4.2Å; Y100-V163 HydrophobicContact CD2-CG1 3.96Å; Y100-V163 HydrophobicContact CE2-CB 4.06Å; Y100-V163 HydrophobicContact CE2-CG1 4.1Å; Y100-V163 HydrophobicContact CE2-CG2 4.1Å; Q159-V163 HydrophobicContact CG-CG2 4.44Å; Q159-V163 VanDerWaalsContact O-CG2 3.31Å; Q159-V163 WeakPolarHBondContact O-CG2 3.22Å; Q159-V163 PolarHBondContact O-N 3.5Å; A160-V163 PolarHBondContact O-N 2.85Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 3Å; V163-R166 PolarHBondContact O-N 2.92Å; V163-H167 PolarHBondContact O-N 3.27Å; V163-H167 VanDerWaalsContact O-N 3.14Å
164	A	97.2	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-52.4	177.7	0	0	0	0	0	111.5	V92 A160 L161 R166 H167 F396 I398	V92-A164 HydrophobicContact CG1-CB 4.39Å; V92-A164 HydrophobicContact CG2-CB 4.03Å; A160-A164 PolarHBondContact O-N 3.28Å; L161-A164 PolarHBondContact O-N 3.22Å; A164-R166 PolarHBondContact O-N 3.09Å; A164-H167 PolarHBondContact O-N 2.85Å; A164-F396 HydrophobicContact CB-CD1 4.38Å; A164-F396 HydrophobicContact CB-CG 4.31Å; A164-I398 HydrophobicContact CB-CD1 4.18Å
165	M	95.9	Very high	94.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-21	-177.3	-64	-167.8	78.4	0	0	113.9	V46 L161 Q203 V205 L214 I398 V400	V46-M165 HydrophobicContact CG1-SD 4.25Å; V46-M165 HydrophobicContact CG2-CE 4.22Å; V46-M165 HydrophobicContact CG2-SD 4.3Å; L161-M165 HydrophobicContact CD1-CG 4.25Å; L161-M165 HydrophobicContact CD1-SD 4.32Å; L161-M165 HydrophobicContact CG-SD 4.39Å; L161-M165 WeakPolarHBondContact O-CG 3.14Å; L161-M165 PolarHBondContact O-N 2.84Å; M165-Q203 PolarHBondContact O-NE2 3.04Å; M165-V205 HydrophobicContact CB-CG2 4.26Å; M165-V205 HydrophobicContact CG-CG2 4.2Å; M165-V205 HydrophobicContact SD-CG2 3.39Å; M165-V205 WeakPolarHBondContact SD-CG2 3.39Å; M165-L214 HydrophobicContact CE-CB 4.2Å; M165-L214 HydrophobicContact CE-CD1 3.6Å; M165-L214 HydrophobicContact CE-CD2 3.71Å; M165-L214 HydrophobicContact CE-CG 4.03Å; M165-L214 HydrophobicContact SD-CD1 4.06Å; M165-I398 HydrophobicContact CG-CD1 4.41Å; M165-V400 HydrophobicContact CE-CG2 3.53Å
166	R	95.3	Very high	94.5	Very high	32 Å²	32	36.6 Å²	36.6	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-99	-8.4	-178.4	-75.8	-173.3	179.4	145.3	19.2	114.1	D162 V163 A164 L168 A169 S170 F180 Q203	D162-R166 VanDerWaalsContact CG-CZ 3.43Å; D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.45Å; D162-R166 VanDerWaalsContact O-CG 3.3Å; D162-R166 WeakPolarHBondContact O-CG 3.43Å; D162-R166 PolarHBondContact O-N 3.37Å; D162-R166 IonicContact OD1-CZ 3.07Å; D162-R166 IonicContact OD1-NE 3.81Å; D162-R166 PolarHBondContact OD1-NE 3.02Å; D162-R166 IonicContact OD1-NH1 2.97Å; D162-R166 PolarHBondContact OD1-NH1 3.19Å; D162-R166 IonicContact OD1-NH2 3.49Å; D162-R166 PolarHBondContact OD1-NH2 2.62Å; D162-R166 IonicContact OD2-CZ 3.84Å; D162-R166 IonicContact OD2-NE 2.73Å; D162-R166 IonicContact OD2-NH1 3.1Å; D162-R166 PolarHBondContact OD2-NH1 3.35Å; D162-R166 IonicContact OD2-NH2 3.07Å; D162-R166 PolarHBondContact OD2-NH2 3.4Å; V163-R166 PolarHBondContact O-N 2.92Å; A164-R166 PolarHBondContact O-N 3.09Å; R166-L168 PolarHBondContact O-N 3.37Å; R166-A169 PolarHBondContact O-N 3.21Å; R166-S170 VanDerWaalsContact O-CB 3.29Å; R166-S170 WeakPolarHBondContact O-CB 3.36Å; R166-S170 PolarHBondContact O-N 2.88Å; R166-S170 PolarHBondContact O-OG 3.49Å; R166-F180 HydrophobicContact CB-CZ 4Å; R166-F180 HydrophobicContact CG-CE2 4.07Å; R166-F180 HydrophobicContact CG-CZ 3.88Å; R166-Q203 HydrophobicContact CG-CG 4.44Å; R166-Q203 VanDerWaalsContact CZ-O 3.3Å; R166-Q203 PolarHBondContact NE-O 3.19Å; R166-Q203 VanDerWaalsContact NE-O 3.15Å; R166-Q203 PolarHBondContact NH2-O 3.25Å
167	H	96.2	Very high	94.4	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-55.5	-166.9	-179.7	72.9	0	0	0	112.1	V92 Y93 V163 A164 S170 M171 Y392	V92-H167 HydrophobicContact CB-CB 3.98Å; V92-H167 HydrophobicContact CG1-CB 3.88Å; Y93-H167 PolarHBondContact N-ND1 3.29Å; V163-H167 PolarHBondContact O-N 3.27Å; V163-H167 VanDerWaalsContact O-N 3.14Å; A164-H167 PolarHBondContact O-N 2.85Å; H167-S170 WeakPolarHBondContact O-CB 3.37Å; H167-S170 PolarHBondContact O-N 3.44Å; H167-M171 PolarHBondContact O-N 2.87Å; H167-Y392 AromaticContact CD2-CD1 3.54Å; H167-Y392 AromaticContact CD2-CD2 3.67Å; H167-Y392 AromaticContact CD2-CE1 3.42Å; H167-Y392 VanDerWaalsContact CD2-CE1 3.42Å; H167-Y392 WeakPolarHBondContact CD2-CE1 3.13Å; H167-Y392 AromaticContact CD2-CE2 3.56Å; H167-Y392 AromaticContact CD2-CG 3.66Å; H167-Y392 AromaticContact CD2-CZ 3.43Å; H167-Y392 VanDerWaalsContact CD2-CZ 3.43Å; H167-Y392 AromaticContact NE2-CE1 3.51Å; H167-Y392 AromaticContact NE2-CZ 3.48Å
168	L	94.7	Very high	94.2	Very high	20 Å²	20	41 Å²	41	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-45.3	-178.9	-174.8	58.5	0	0	0	112.5	R166 S170 M171 R172 D390 Y392	R166-L168 PolarHBondContact O-N 3.37Å; L168-S170 PolarHBondContact O-N 2.93Å; L168-M171 PolarHBondContact O-N 2.85Å; L168-R172 HydrophobicContact CD1-CG 4.16Å; L168-R172 HydrophobicContact CG-CG 4.34Å; L168-R172 PolarHBondContact O-N 3.04Å; L168-D390 WeakPolarHBondContact CB-OD2 3.32Å; L168-D390 HydrophobicContact CD2-CB 4.24Å; L168-D390 VanDerWaalsContact CD2-CG 3.48Å; L168-D390 VanDerWaalsContact CD2-OD2 3.27Å; L168-D390 WeakPolarHBondContact CD2-OD2 3.4Å; L168-Y392 HydrophobicContact CB-CD2 4.13Å; L168-Y392 HydrophobicContact CB-CE2 4.47Å; L168-Y392 HydrophobicContact CD1-CE2 4.18Å
169	A	93.6	Very high	94.2	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-35	176.9	0	0	0	0	0	111.9	R166 M171 Y173 F180 F201	R166-A169 PolarHBondContact O-N 3.21Å; A169-M171 VanDerWaalsContact C-N 3.26Å; A169-M171 PolarHBondContact O-N 2.83Å; A169-Y173 HydrophobicContact CB-CD2 4.07Å; A169-Y173 HydrophobicContact CB-CE2 4.45Å; A169-Y173 WeakPolarHBondContact O-CB 3.25Å; A169-Y173 WeakPolarHBondContact O-CD2 3.36Å; A169-Y173 PolarHBondContact O-N 3.04Å; A169-F180 HydrophobicContact CB-CD1 4.09Å; A169-F180 HydrophobicContact CB-CD2 4.03Å; A169-F180 HydrophobicContact CB-CE1 4.02Å; A169-F180 HydrophobicContact CB-CE2 3.93Å; A169-F180 HydrophobicContact CB-CG 4.1Å; A169-F180 HydrophobicContact CB-CZ 3.93Å; A169-F201 HydrophobicContact CB-CZ 4.38Å
170	S	93.8	Very high	94.2	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-18.8	177.4	-59.2	0	0	0	0	114.3	R166 H167 L168 F180	R166-S170 VanDerWaalsContact O-CB 3.29Å; R166-S170 WeakPolarHBondContact O-CB 3.36Å; R166-S170 PolarHBondContact O-N 2.88Å; R166-S170 PolarHBondContact O-OG 3.49Å; H167-S170 WeakPolarHBondContact O-CB 3.37Å; H167-S170 PolarHBondContact O-N 3.44Å; L168-S170 PolarHBondContact O-N 2.93Å; S170-F180 WeakPolarHBondContact OG-CE1 3.36Å
171	M	91.4	Very high	94.1	Very high	61 Å²	61	37.3 Å²	37.3	30%	0.3	20%	0.195	S	C	.	.	H	α-helix	trans	-93.2	-38.5	174.6	-60.6	-154.1	-68	0	0	112	E75 H167 L168 A169 Y392	E75-M171 WeakPolarHBondContact OE2-CE 3.28Å; H167-M171 PolarHBondContact O-N 2.87Å; L168-M171 PolarHBondContact O-N 2.85Å; A169-M171 VanDerWaalsContact C-N 3.26Å; A169-M171 PolarHBondContact O-N 2.83Å; M171-Y392 HydrophobicContact CE-CE2 4.36Å
172	R	91.2	Very high	93.9	Very high	174 Å²	174	39.2 Å²	39.2	66%	0.657	21%	0.208	S	C	*	.	H	α-helix	trans	-76.8	-40.3	-178.1	-70	-174.9	174.8	178.1	-0.3	113.6	L168	L168-R172 HydrophobicContact CD1-CG 4.16Å; L168-R172 HydrophobicContact CG-CG 4.34Å; L168-R172 PolarHBondContact O-N 3.04Å
173	Y	93.6	Very high	93.7	Very high	88 Å²	88	41.2 Å²	41.2	35%	0.345	22%	0.222	S	C	.	.	S	Bend	trans	-109.2	173.1	-173.3	-56.7	-64.3	0	0	0	112.2	A169 P175 F180 F201	A169-Y173 HydrophobicContact CB-CD2 4.07Å; A169-Y173 HydrophobicContact CB-CE2 4.45Å; A169-Y173 WeakPolarHBondContact O-CB 3.25Å; A169-Y173 WeakPolarHBondContact O-CD2 3.36Å; A169-Y173 PolarHBondContact O-N 3.04Å; Y173-P175 WeakPolarHBondContact O-CD 3.46Å; Y173-F180 HydrophobicContact CD2-CB 4.05Å; Y173-F180 HydrophobicContact CG-CB 4.14Å; Y173-F201 HydrophobicContact CD2-CE1 4.08Å; Y173-F201 HydrophobicContact CD2-CZ 4.21Å; Y173-F201 AromaticContact CE2-CE1 3.86Å; Y173-F201 HydrophobicContact CE2-CE1 3.86Å; Y173-F201 HydrophobicContact CE2-CZ 4.05Å
174	T	93.4	Very high	93.3	Very high	32 Å²	32	42.2 Å²	42.2	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.7	171.2	-60	0	0	0	0	110.1	F181 F223	T174-F181 WeakPolarHBondContact CB-O 3.42Å; T174-F181 PolarHBondContact N-O 2.85Å; T174-F181 PolarHBondContact O-N 3.25Å; T174-F223 HydrophobicContact CG2-CE1 4.12Å; T174-F223 HydrophobicContact CG2-CZ 4.32Å
175	P	93.6	Very high	92.7	Very high	62 Å²	62	50 Å²	50	40%	0.403	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.3	-177.3	-13.6	32.2	0	0	0	110.9	Y173 F180	Y173-P175 WeakPolarHBondContact O-CD 3.46Å; P175-F180 HydrophobicContact CB-CD1 4.13Å; P175-F180 HydrophobicContact CB-CE1 4Å; P175-F180 HydrophobicContact CG-CD1 4.3Å; P175-F180 HydrophobicContact CG-CE1 4.22Å
176	V	91.6	Very high	92.2	Very high	21 Å²	21	54.5 Å²	54.5	13%	0.127	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	99.6	176.8	176	0	0	0	0	108.4	R178 S179 F181 F223 R350	V176-R178 PolarHBondContact O-N 3.24Å; V176-S179 PolarHBondContact N-O 3.05Å; V176-S179 PolarHBondContact O-N 2.79Å; V176-F181 HydrophobicContact CB-CD2 3.8Å; V176-F181 HydrophobicContact CB-CE2 3.7Å; V176-F181 HydrophobicContact CG1-CE2 4.18Å; V176-F181 HydrophobicContact CG2-CD2 3.75Å; V176-F181 HydrophobicContact CG2-CE2 4.09Å; V176-F223 HydrophobicContact CG2-CZ 4.16Å; V176-R350 VanDerWaalsContact CG1-CD 3.45Å
177	G	89.8	Confident	91.8	Very high	80 Å²	80	56 Å²	56	83%	0.825	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-120.7	-173.3	0	0	0	0	0	110.5
178	R	91.3	Very high	91.5	Very high	125 Å²	125	62.4 Å²	62.4	47%	0.472	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	13.9	174.6	-65.5	-174.2	173.3	175.4	-2	113	V176 H202 Q203	V176-R178 PolarHBondContact O-N 3.24Å; R178-H202 PolarHBondContact O-ND1 3.07Å; R178-Q203 PolarHBondContact O-N 3.24Å
179	S	94.9	Very high	91.5	Very high	12 Å²	12	64.3 Å²	64.3	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	157.2	179.4	-49.9	0	0	0	0	112	V176 F201	V176-S179 PolarHBondContact N-O 3.05Å; V176-S179 PolarHBondContact O-N 2.79Å; S179-F201 CarbonylContact C-O 3.54Å; S179-F201 WeakPolarHBondContact CA-O 3.49Å; S179-F201 VanDerWaalsContact CB-O 3.31Å; S179-F201 WeakPolarHBondContact CB-O 3.46Å
180	F	95.4	Very high	91.6	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.018	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.5	-178.6	-61.8	-74.3	0	0	0	109.3	R166 A169 S170 Y173 P175 G200 F201 Q203	R166-F180 HydrophobicContact CB-CZ 4Å; R166-F180 HydrophobicContact CG-CE2 4.07Å; R166-F180 HydrophobicContact CG-CZ 3.88Å; A169-F180 HydrophobicContact CB-CD1 4.09Å; A169-F180 HydrophobicContact CB-CD2 4.03Å; A169-F180 HydrophobicContact CB-CE1 4.02Å; A169-F180 HydrophobicContact CB-CE2 3.93Å; A169-F180 HydrophobicContact CB-CG 4.1Å; A169-F180 HydrophobicContact CB-CZ 3.93Å; S170-F180 WeakPolarHBondContact OG-CE1 3.36Å; Y173-F180 HydrophobicContact CD2-CB 4.05Å; Y173-F180 HydrophobicContact CG-CB 4.14Å; P175-F180 HydrophobicContact CB-CD1 4.13Å; P175-F180 HydrophobicContact CB-CE1 4Å; P175-F180 HydrophobicContact CG-CD1 4.3Å; P175-F180 HydrophobicContact CG-CE1 4.22Å; F180-G200 CarbonylContact O-C 3.56Å; F180-G200 WeakPolarHBondContact O-CA 3.39Å; F180-F201 HydrophobicContact CB-CD1 4.37Å; F180-F201 HydrophobicContact CB-CE1 3.9Å; F180-F201 HydrophobicContact CB-CE2 4.36Å; F180-F201 HydrophobicContact CB-CZ 3.89Å; F180-F201 HydrophobicContact CD2-CD2 4.28Å; F180-F201 AromaticContact CD2-CE2 3.63Å; F180-F201 HydrophobicContact CD2-CE2 3.63Å; F180-F201 AromaticContact CD2-CZ 3.83Å; F180-F201 HydrophobicContact CD2-CZ 3.83Å; F180-F201 HydrophobicContact CE2-CE2 4.43Å; F180-F201 HydrophobicContact CG-CE2 4.4Å; F180-F201 HydrophobicContact CG-CZ 4.17Å; F180-F201 PolarHBondContact N-O 3.31Å; F180-F201 PolarHBondContact O-N 3.07Å; F180-Q203 HydrophobicContact CD2-CB 4.35Å; F180-Q203 HydrophobicContact CE2-CB 4.04Å
181	F	95.3	Very high	91.6	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.018	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.3	-176.4	-63.8	-87.9	0	0	0	111.2	T174 V176 W198 T221 F223	T174-F181 WeakPolarHBondContact CB-O 3.42Å; T174-F181 PolarHBondContact N-O 2.85Å; T174-F181 PolarHBondContact O-N 3.25Å; V176-F181 HydrophobicContact CB-CD2 3.8Å; V176-F181 HydrophobicContact CB-CE2 3.7Å; V176-F181 HydrophobicContact CG1-CE2 4.18Å; V176-F181 HydrophobicContact CG2-CD2 3.75Å; V176-F181 HydrophobicContact CG2-CE2 4.09Å; F181-W198 HydrophobicContact CB-CE3 4.19Å; F181-W198 HydrophobicContact CD1-CB 4.46Å; F181-T221 HydrophobicContact CD1-CG2 4.01Å; F181-T221 HydrophobicContact CD2-CG2 4.23Å; F181-T221 HydrophobicContact CE1-CG2 3.65Å; F181-T221 HydrophobicContact CE2-CG2 3.87Å; F181-T221 HydrophobicContact CG-CG2 4.29Å; F181-T221 HydrophobicContact CZ-CG2 3.56Å; F181-F223 HydrophobicContact CB-CE2 3.86Å; F181-F223 HydrophobicContact CB-CZ 3.86Å; F181-F223 HydrophobicContact CD1-CE2 4.25Å; F181-F223 HydrophobicContact CD2-CE2 4.37Å; F181-F223 HydrophobicContact CD2-CZ 4.38Å; F181-F223 AromaticContact CG-CE2 3.91Å; F181-F223 HydrophobicContact CG-CE2 3.91Å; F181-F223 HydrophobicContact CG-CZ 4.16Å
182	S	92.6	Very high	91.7	Very high	41 Å²	41	64.8 Å²	64.8	29%	0.287	36%	0.362	S	S	.	.			trans	-123.1	157.7	175.9	56.3	0	0	0	0	111.2	F199	S182-F199 PolarHBondContact N-O 2.91Å
183	P	90.8	Very high	91.9	Very high	68 Å²	68	57.1 Å²	57.1	44%	0.442	34%	0.337	S	S	.	.			trans	-54.3	150.9	167.9	-21.9	32.3	0	0	0	111.7	E185 W198	P183-E185 PolarHBondContact O-N 3.03Å; P183-W198 HydrophobicContact CB-CH2 4.08Å; P183-W198 HydrophobicContact CB-CZ2 4.07Å; P183-W198 HydrophobicContact CG-CH2 3.64Å; P183-W198 HydrophobicContact CG-CZ2 4.13Å; P183-W198 HydrophobicContact CG-CZ3 4.09Å
184	P	87	Confident	92	Very high	32 Å²	32	52.9 Å²	52.9	21%	0.208	32%	0.321	C	S	.	.			trans	-61.2	127	173.2	-23.7	34.9	0	0	0	112.6	Y187	P184-Y187 VanDerWaalsContact CA-CZ 3.46Å; P184-Y187 WeakPolarHBondContact CA-OH 3.28Å; P184-Y187 HydrophobicContact CB-CD2 3.86Å; P184-Y187 HydrophobicContact CB-CE1 4.23Å; P184-Y187 HydrophobicContact CB-CE2 3.42Å; P184-Y187 VanDerWaalsContact CB-CE2 3.42Å; P184-Y187 HydrophobicContact CB-CG 4.39Å; P184-Y187 VanDerWaalsContact CB-O 3.25Å; P184-Y187 WeakPolarHBondContact CB-O 3.37Å; P184-Y187 HydrophobicContact CG-CE2 3.76Å
185	E	85.9	Confident	92.1	Very high	163 Å²	163	51.6 Å²	51.6	76%	0.762	31%	0.312	S	S	*	.	S	Bend	trans	-126.4	120.1	171.1	-70.7	179	-170.5	0	0	107.8	P183 Y187	P183-E185 PolarHBondContact O-N 3.03Å; E185-Y187 VanDerWaalsContact C-N 3.26Å; E185-Y187 WeakPolarHBondContact O-CD1 3.43Å; E185-Y187 PolarHBondContact O-N 3.28Å
186	G	84.8	Confident	92.3	Very high	96 Å²	96	49.6 Å²	49.6	99%	0.99	30%	0.298	S	S	*	.	S	Bend	trans	74.1	6.4	-178.6	0	0	0	0	0	115.8
187	Y	87.6	Confident	92.5	Very high	65 Å²	65	48.7 Å²	48.7	26%	0.255	29%	0.292	S	S	.	.			trans	-143.9	155.6	172.2	67.8	-93.8	0	0	0	111.7	P184 E185 H189 F199	P184-Y187 VanDerWaalsContact CA-CZ 3.46Å; P184-Y187 WeakPolarHBondContact CA-OH 3.28Å; P184-Y187 HydrophobicContact CB-CD2 3.86Å; P184-Y187 HydrophobicContact CB-CE1 4.23Å; P184-Y187 HydrophobicContact CB-CE2 3.42Å; P184-Y187 VanDerWaalsContact CB-CE2 3.42Å; P184-Y187 HydrophobicContact CB-CG 4.39Å; P184-Y187 VanDerWaalsContact CB-O 3.25Å; P184-Y187 WeakPolarHBondContact CB-O 3.37Å; P184-Y187 HydrophobicContact CG-CE2 3.76Å; E185-Y187 VanDerWaalsContact C-N 3.26Å; E185-Y187 WeakPolarHBondContact O-CD1 3.43Å; E185-Y187 PolarHBondContact O-N 3.28Å; Y187-H189 AromaticContact CD2-CD2 3.67Å; Y187-F199 HydrophobicContact CD2-CD2 4.15Å; Y187-F199 HydrophobicContact CD2-CE2 4.27Å; Y187-F199 HydrophobicContact CE1-CD2 4.15Å; Y187-F199 AromaticContact CE2-CD2 3.57Å; Y187-F199 HydrophobicContact CE2-CD2 3.57Å; Y187-F199 HydrophobicContact CE2-CE2 4.07Å; Y187-F199 AromaticContact CZ-CD2 3.58Å; Y187-F199 PolarHBondContact OH-N 3.21Å
188	Y	90.1	Very high	92.8	Very high	139 Å²	139	45.2 Å²	45.2	55%	0.545	25%	0.254	S	S	.	.			trans	-143.8	118.7	176.8	179.1	-121.1	0	0	0	111.1	P190 K225	Y188-P190 HydrophobicContact CD1-CG 4.22Å; Y188-P190 HydrophobicContact CE1-CB 4.2Å; Y188-P190 HydrophobicContact CE1-CG 3.66Å; Y188-P190 HydrophobicContact CE2-CB 4.36Å; Y188-K225 VanDerWaalsContact OH-CE 3.27Å; Y188-K225 WeakPolarHBondContact OH-CE 3.39Å; Y188-K225 PolarHBondContact OH-NZ 2.95Å
189	H	93.8	Very high	93	Very high	60 Å²	60	41.3 Å²	41.3	28%	0.278	24%	0.241	S	C	.	.			trans	-131.4	79.5	-177.2	-65.7	-47.8	0	0	0	111	Y187 E196 V197 F199	Y187-H189 AromaticContact CD2-CD2 3.67Å; H189-E196 WeakPolarHBondContact O-CA 3.43Å; H189-V197 HydrophobicContact CB-CB 3.97Å; H189-V197 HydrophobicContact CB-CG2 4.11Å; H189-V197 PolarHBondContact O-N 2.83Å; H189-F199 AromaticContact CD2-CE2 3.68Å; H189-F199 AromaticContact NE2-CE2 3.96Å
190	P	94.9	Very high	92.9	Very high	51 Å²	51	41.3 Å²	41.3	33%	0.331	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-69.3	140.5	175.7	29.6	-34.1	0	0	0	110.5	Y188	Y188-P190 HydrophobicContact CD1-CG 4.22Å; Y188-P190 HydrophobicContact CE1-CB 4.2Å; Y188-P190 HydrophobicContact CE1-CG 3.66Å; Y188-P190 HydrophobicContact CE2-CB 4.36Å
191	L	94.8	Very high	92.9	Very high	15 Å²	15	42 Å²	42	8%	0.079	25%	0.245	C	C	.	.			trans	-99.4	-14.3	173.2	-62.2	176.8	0	0	0	111.7	R195 V197 A222 L355 Q359 T362 M363	L191-R195 HydrophobicContact CB-CB 4.08Å; L191-R195 HydrophobicContact CD1-CB 4.39Å; L191-R195 PolarHBondContact N-O 2.85Å; L191-V197 HydrophobicContact CD1-CG2 4.01Å; L191-V197 HydrophobicContact CD2-CG2 3.66Å; L191-V197 HydrophobicContact CG-CG2 3.88Å; L191-A222 HydrophobicContact CD1-CB 3.84Å; L191-L355 HydrophobicContact CD1-CD1 4.36Å; L191-L355 HydrophobicContact CD1-CD2 4.45Å; L191-Q359 HydrophobicContact CB-CB 4.45Å; L191-Q359 HydrophobicContact CB-CG 4.12Å; L191-Q359 VanDerWaalsContact O-CG 3.24Å; L191-Q359 WeakPolarHBondContact O-CG 3.4Å; L191-T362 HydrophobicContact CD2-CG2 3.93Å; L191-M363 HydrophobicContact CD2-CB 4Å
192	G	93.4	Very high	93	Very high	28 Å²	28	42.2 Å²	42.2	29%	0.289	25%	0.246	S	C	.	.	S	Bend	trans	79	164.1	-169	0	0	0	0	0	112.4	G194 Q359	G192-G194 VanDerWaalsContact C-N 3.31Å; G192-Q359 PolarHBondContact O-NE2 2.77Å
193	G	94.3	Very high	93.2	Very high	13 Å²	13	40.2 Å²	40.2	13%	0.134	23%	0.233	C	C	.	.	S	Bend	trans	66.9	30.6	-175.1	0	0	0	0	0	113.5	E235	G193-E235 PolarHBondContact N-OE2 2.9Å
194	G	95.8	Very high	93.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	75.4	24.1	179	0	0	0	0	0	114.5	G192 Y224 K225 E235	G192-G194 VanDerWaalsContact C-N 3.31Å; G194-Y224 WeakPolarHBondContact O-CA 3.38Å; G194-K225 PolarHBondContact O-N 3.06Å; G194-E235 VanDerWaalsContact CA-OE2 3.31Å; G194-E235 WeakPolarHBondContact CA-OE2 3.26Å; G194-E235 PolarHBondContact N-OE2 2.96Å
195	R	97.4	Very high	93.7	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.3	-172.9	-60.4	167.8	-168.1	-179.5	-2.2	111.2	L191 F223 Y224 E260	L191-R195 HydrophobicContact CB-CB 4.08Å; L191-R195 HydrophobicContact CD1-CB 4.39Å; L191-R195 PolarHBondContact N-O 2.85Å; R195-F223 CarbonylContact C-O 3.44Å; R195-F223 VanDerWaalsContact CA-O 3.29Å; R195-F223 WeakPolarHBondContact CA-O 3.37Å; R195-Y224 HydrophobicContact CG-CD1 4.1Å; R195-Y224 HydrophobicContact CG-CE1 4.13Å; R195-E260 IonicContact CZ-OE2 3.37Å; R195-E260 IonicContact NH2-OE1 3.14Å; R195-E260 PolarHBondContact NH2-OE1 3.15Å; R195-E260 IonicContact NH2-OE2 3.25Å; R195-E260 PolarHBondContact NH2-OE2 2.69Å
196	E	96.8	Very high	94.1	Very high	20 Å²	20	30 Å²	30	9%	0.093	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.8	178.1	62.4	180	179.7	0	0	111.6	H189 W198 A222 F223 K225	H189-E196 WeakPolarHBondContact O-CA 3.43Å; E196-W198 PolarHBondContact OE1-NE1 3.1Å; E196-A222 CarbonylContact O-C 3.16Å; E196-A222 WeakPolarHBondContact O-CA 3.49Å; E196-F223 PolarHBondContact N-O 3.02Å; E196-F223 PolarHBondContact O-N 3.05Å; E196-K225 HydrophobicContact CB-CG 3.95Å; E196-K225 HydrophobicContact CG-CG 3.84Å
197	V	96.6	Very high	94.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.8	176.4	-175.7	0	0	0	0	110.1	H189 L191 F199 A220 M363 T367	H189-V197 HydrophobicContact CB-CB 3.97Å; H189-V197 HydrophobicContact CB-CG2 4.11Å; H189-V197 PolarHBondContact O-N 2.83Å; L191-V197 HydrophobicContact CD1-CG2 4.01Å; L191-V197 HydrophobicContact CD2-CG2 3.66Å; L191-V197 HydrophobicContact CG-CG2 3.88Å; V197-F199 HydrophobicContact CG1-CE2 4.46Å; V197-A220 HydrophobicContact CG1-CB 3.92Å; V197-M363 HydrophobicContact CG2-CG 4.47Å; V197-T367 HydrophobicContact CG1-CG2 4.06Å
198	W	96.2	Very high	94.7	Very high	8 Å²	8	23.6 Å²	23.6	3%	0.03	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.8	164.8	-68.8	16.7	0	0	0	109.6	F181 P183 E196 A220 T221 F223 G348	F181-W198 HydrophobicContact CB-CE3 4.19Å; F181-W198 HydrophobicContact CD1-CB 4.46Å; P183-W198 HydrophobicContact CB-CH2 4.08Å; P183-W198 HydrophobicContact CB-CZ2 4.07Å; P183-W198 HydrophobicContact CG-CH2 3.64Å; P183-W198 HydrophobicContact CG-CZ2 4.13Å; P183-W198 HydrophobicContact CG-CZ3 4.09Å; E196-W198 PolarHBondContact OE1-NE1 3.1Å; W198-A220 VanDerWaalsContact O-CA 3.31Å; W198-A220 WeakPolarHBondContact O-CA 3.4Å; W198-T221 PolarHBondContact N-O 2.99Å; W198-T221 PolarHBondContact O-N 2.96Å; W198-F223 HydrophobicContact CB-CD2 3.46Å; W198-F223 VanDerWaalsContact CB-CD2 3.46Å; W198-F223 HydrophobicContact CB-CE2 3.73Å; W198-F223 HydrophobicContact CB-CG 4.28Å; W198-F223 HydrophobicContact CD2-CB 3.96Å; W198-F223 AromaticContact CD2-CD1 3.9Å; W198-F223 HydrophobicContact CD2-CD1 3.9Å; W198-F223 AromaticContact CD2-CD2 3.59Å; W198-F223 HydrophobicContact CD2-CD2 3.59Å; W198-F223 HydrophobicContact CD2-CE1 4.28Å; W198-F223 AromaticContact CD2-CE2 3.96Å; W198-F223 HydrophobicContact CD2-CE2 3.96Å; W198-F223 AromaticContact CD2-CG 3.54Å; W198-F223 HydrophobicContact CD2-CG 3.54Å; W198-F223 HydrophobicContact CD2-CZ 4.3Å; W198-F223 AromaticContact CE2-CG 3.9Å; W198-F223 AromaticContact CE3-CD1 3.84Å; W198-F223 HydrophobicContact CE3-CD1 3.84Å; W198-F223 AromaticContact CE3-CD2 3.91Å; W198-F223 HydrophobicContact CE3-CD2 3.91Å; W198-F223 AromaticContact CE3-CE1 3.77Å; W198-F223 HydrophobicContact CE3-CE1 3.77Å; W198-F223 AromaticContact CE3-CE2 3.8Å; W198-F223 HydrophobicContact CE3-CE2 3.8Å; W198-F223 AromaticContact CE3-CG 3.91Å; W198-F223 HydrophobicContact CE3-CG 3.91Å; W198-F223 AromaticContact CE3-CZ 3.75Å; W198-F223 HydrophobicContact CE3-CZ 3.75Å; W198-F223 HydrophobicContact CG-CB 3.91Å; W198-F223 AromaticContact CG-CD2 3.39Å; W198-F223 HydrophobicContact CG-CD2 3.39Å; W198-F223 AromaticContact CG-CE2 3.96Å; W198-F223 HydrophobicContact CG-CE2 3.96Å; W198-F223 AromaticContact CG-CG 3.69Å; W198-F223 HydrophobicContact CG-CG 3.69Å; W198-F223 HydrophobicContact CH2-CD1 4.41Å; W198-F223 HydrophobicContact CZ2-CD1 4.43Å; W198-F223 HydrophobicContact CZ3-CD1 4.11Å; W198-F223 AromaticContact CZ3-CE1 3.99Å; W198-F223 HydrophobicContact CZ3-CE1 3.99Å; W198-F223 HydrophobicContact CZ3-CZ 4.32Å; W198-G348 VanDerWaalsContact CH2-CA 3.43Å
199	F	93.8	Very high	94.5	Very high	43 Å²	43	17.6 Å²	17.6	19%	0.189	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	161.5	169.3	-71.7	-81.2	0	0	0	110.6	S182 Y187 H189 V197 S219 A220 T367	S182-F199 PolarHBondContact N-O 2.91Å; Y187-F199 HydrophobicContact CD2-CD2 4.15Å; Y187-F199 HydrophobicContact CD2-CE2 4.27Å; Y187-F199 HydrophobicContact CE1-CD2 4.15Å; Y187-F199 AromaticContact CE2-CD2 3.57Å; Y187-F199 HydrophobicContact CE2-CD2 3.57Å; Y187-F199 HydrophobicContact CE2-CE2 4.07Å; Y187-F199 AromaticContact CZ-CD2 3.58Å; Y187-F199 PolarHBondContact OH-N 3.21Å; H189-F199 AromaticContact CD2-CE2 3.68Å; H189-F199 AromaticContact NE2-CE2 3.96Å; V197-F199 HydrophobicContact CG1-CE2 4.46Å; F199-S219 CarbonylContact C-O 3.54Å; F199-S219 WeakPolarHBondContact CA-O 3.17Å; F199-A220 HydrophobicContact CD1-CB 3.75Å; F199-A220 HydrophobicContact CE1-CB 3.83Å; F199-T367 HydrophobicContact CE1-CG2 4.07Å; F199-T367 HydrophobicContact CZ-CG2 4.22Å
200	G	94.4	Very high	94	Very high	12 Å²	12	22.2 Å²	22.2	12%	0.124	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-163.5	-175.9	0	0	0	0	0	110.4	F180 S219	F180-G200 CarbonylContact O-C 3.56Å; F180-G200 WeakPolarHBondContact O-CA 3.39Å; G200-S219 PolarHBondContact N-O 3.41Å; G200-S219 PolarHBondContact O-N 3.5Å; G200-S219 VanDerWaalsContact O-O 3.1Å
201	F	95.5	Very high	93.7	Very high	18 Å²	18	24 Å²	24	8%	0.079	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.5	179.7	62.5	-82.1	0	0	0	112	A169 Y173 S179 F180 Q203 D217 L381	A169-F201 HydrophobicContact CB-CZ 4.38Å; Y173-F201 HydrophobicContact CD2-CE1 4.08Å; Y173-F201 HydrophobicContact CD2-CZ 4.21Å; Y173-F201 AromaticContact CE2-CE1 3.86Å; Y173-F201 HydrophobicContact CE2-CE1 3.86Å; Y173-F201 HydrophobicContact CE2-CZ 4.05Å; S179-F201 CarbonylContact C-O 3.54Å; S179-F201 WeakPolarHBondContact CA-O 3.49Å; S179-F201 VanDerWaalsContact CB-O 3.31Å; S179-F201 WeakPolarHBondContact CB-O 3.46Å; F180-F201 HydrophobicContact CB-CD1 4.37Å; F180-F201 HydrophobicContact CB-CE1 3.9Å; F180-F201 HydrophobicContact CB-CE2 4.36Å; F180-F201 HydrophobicContact CB-CZ 3.89Å; F180-F201 HydrophobicContact CD2-CD2 4.28Å; F180-F201 AromaticContact CD2-CE2 3.63Å; F180-F201 HydrophobicContact CD2-CE2 3.63Å; F180-F201 AromaticContact CD2-CZ 3.83Å; F180-F201 HydrophobicContact CD2-CZ 3.83Å; F180-F201 HydrophobicContact CE2-CE2 4.43Å; F180-F201 HydrophobicContact CG-CE2 4.4Å; F180-F201 HydrophobicContact CG-CZ 4.17Å; F180-F201 PolarHBondContact N-O 3.31Å; F180-F201 PolarHBondContact O-N 3.07Å; F201-Q203 HydrophobicContact CD2-CB 4.22Å; F201-Q203 HydrophobicContact CE2-CB 4.16Å; F201-D217 CarbonylContact C-O 3.54Å; F201-D217 VanDerWaalsContact CA-O 3.3Å; F201-D217 WeakPolarHBondContact CA-O 3.1Å; F201-L381 HydrophobicContact CB-CD1 3.59Å; F201-L381 HydrophobicContact CB-CD2 4.22Å; F201-L381 HydrophobicContact CD1-CD1 4.04Å; F201-L381 HydrophobicContact CD1-CD2 4.5Å; F201-L381 HydrophobicContact CD2-CD2 4.46Å; F201-L381 HydrophobicContact CG-CD1 4.01Å; F201-L381 HydrophobicContact CG-CD2 4.16Å
202	H	96.5	Very high	93.7	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.037	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.4	164.1	172.1	81.8	0	0	0	109.7	R178 S204 I216 D217 H711	R178-H202 PolarHBondContact O-ND1 3.07Å; H202-S204 PolarHBondContact NE2-OG 2.94Å; H202-I216 WeakPolarHBondContact O-CA 3.29Å; H202-D217 HydrophobicContact CB-CB 4.34Å; H202-D217 PolarHBondContact N-O 3.5Å; H202-D217 PolarHBondContact O-N 3.24Å; H202-H711 HydrophobicContact CB-CB 4.34Å; H202-H711 VanDerWaalsContact CB-ND1 3.32Å; H202-H711 WeakPolarHBondContact CB-ND1 3.44Å; H202-H711 WeakPolarHBondContact CD2-CB 3.43Å; H202-H711 AromaticContact CD2-CD2 3.68Å; H202-H711 AromaticContact CD2-CG 3.28Å; H202-H711 AromaticContact CD2-ND1 3.85Å; H202-H711 AromaticContact CE1-CD2 3.36Å; H202-H711 PolarHBondContact CE1-CD2 3.33Å; H202-H711 AromaticContact CE1-CG 3.81Å; H202-H711 AromaticContact CE1-NE2 3.94Å; H202-H711 AromaticContact CG-CD2 3.42Å; H202-H711 VanDerWaalsContact CG-CD2 3.42Å; H202-H711 AromaticContact CG-CE1 3.62Å; H202-H711 AromaticContact CG-CG 3.2Å; H202-H711 AromaticContact CG-ND1 3.37Å; H202-H711 AromaticContact CG-NE2 3.72Å; H202-H711 AromaticContact ND1-CD2 3.24Å; H202-H711 PolarHBondContact ND1-CD2 3.49Å; H202-H711 AromaticContact ND1-CE1 3.74Å; H202-H711 AromaticContact ND1-CG 3.59Å; H202-H711 AromaticContact ND1-ND1 3.91Å; H202-H711 AromaticContact ND1-NE2 3.4Å; H202-H711 PolarHBondContact ND1-NE2 2.8Å; H202-H711 AromaticContact NE2-CD2 3.62Å; H202-H711 AromaticContact NE2-CG 3.65Å
203	Q	96	Very high	93.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.6	174.2	178.6	-176.1	-24.2	0	0	110.2	M165 R166 R178 F180 F201 L214 N215 I216	M165-Q203 PolarHBondContact O-NE2 3.04Å; R166-Q203 HydrophobicContact CG-CG 4.44Å; R166-Q203 VanDerWaalsContact CZ-O 3.3Å; R166-Q203 PolarHBondContact NE-O 3.19Å; R166-Q203 VanDerWaalsContact NE-O 3.15Å; R166-Q203 PolarHBondContact NH2-O 3.25Å; R178-Q203 PolarHBondContact O-N 3.24Å; F180-Q203 HydrophobicContact CD2-CB 4.35Å; F180-Q203 HydrophobicContact CE2-CB 4.04Å; F201-Q203 HydrophobicContact CD2-CB 4.22Å; F201-Q203 HydrophobicContact CE2-CB 4.16Å; Q203-L214 HydrophobicContact CG-CD1 3.71Å; Q203-N215 WeakPolarHBondContact CA-O 3.45Å; Q203-I216 HydrophobicContact CB-CD1 3.79Å; Q203-I216 HydrophobicContact CG-CD1 3.71Å
204	S	94.6	Very high	94.1	Very high	3 Å²	3	22 Å²	22	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.8	168.3	54.8	0	0	0	0	112.3	H202 N215	H202-S204 PolarHBondContact NE2-OG 2.94Å; S204-N215 PolarHBondContact N-O 2.7Å; S204-N215 PolarHBondContact O-N 3.15Å
205	V	95.1	Very high	94.2	Very high	10 Å²	10	22.1 Å²	22.1	6%	0.061	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.3	170.4	-176.5	0	0	0	0	109.1	L161 D162 M165 M212 M213 L214	L161-V205 HydrophobicContact CD2-CG1 3.66Å; L161-V205 HydrophobicContact CG-CG1 3.96Å; D162-V205 HydrophobicContact CB-CB 4.32Å; D162-V205 HydrophobicContact CB-CG2 4.35Å; M165-V205 HydrophobicContact CB-CG2 4.26Å; M165-V205 HydrophobicContact CG-CG2 4.2Å; M165-V205 HydrophobicContact SD-CG2 3.39Å; M165-V205 WeakPolarHBondContact SD-CG2 3.39Å; V205-M212 HydrophobicContact CG1-CE 3.43Å; V205-M212 VanDerWaalsContact CG1-CE 3.43Å; V205-M213 CarbonylContact C-O 3.52Å; V205-M213 WeakPolarHBondContact CA-O 3.16Å; V205-L214 HydrophobicContact CG2-CD1 4.18Å
206	R	93.7	Very high	94.2	Very high	34 Å²	34	21.9 Å²	21.9	13%	0.128	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.8	-177.2	-62.1	-173.8	64.9	83.7	-5.3	111.1	Y43 M212 M213 E672	Y43-R206 WeakPolarHBondContact OH-CD 3.42Å; Y43-R206 PolarHBondContact OH-NE 3.24Å; R206-M212 VanDerWaalsContact C-CE 3.48Å; R206-M213 PolarHBondContact N-O 3.45Å; R206-M213 PolarHBondContact O-N 3.41Å; R206-E672 IonicContact CZ-OE1 3.45Å; R206-E672 IonicContact CZ-OE2 3.27Å; R206-E672 VanDerWaalsContact NH1-CD 3.29Å; R206-E672 IonicContact NH1-OE1 3.16Å; R206-E672 PolarHBondContact NH1-OE1 2.8Å; R206-E672 IonicContact NH1-OE2 3.68Å; R206-E672 PolarHBondContact NH1-OE2 3.39Å; R206-E672 IonicContact NH2-OE1 3.41Å; R206-E672 PolarHBondContact NH2-OE1 3.44Å; R206-E672 IonicContact NH2-OE2 3.76Å
207	P	93.5	Very high	94.2	Very high	28 Å²	28	21 Å²	21	18%	0.182	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.4	164.4	30.9	-33.4	0	0	0	108.4	L146 V153 M212 P742	L146-P207 HydrophobicContact CD2-CB 3.6Å; V153-P207 HydrophobicContact CG1-CB 4.12Å; V153-P207 HydrophobicContact CG1-CG 4.22Å; V153-P207 HydrophobicContact CG2-CB 4.41Å; P207-M212 HydrophobicContact CB-CE 4.4Å; P207-M212 HydrophobicContact CB-SD 4.04Å; P207-P742 HydrophobicContact CB-CG 4.45Å
208	A	91.9	Very high	94.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.			trans	-129.6	-178.1	172.5	0	0	0	0	0	109.2	W210 K211 M213 D738 T740	A208-W210 PolarHBondContact O-N 3.47Å; A208-K211 PolarHBondContact N-O 2.71Å; A208-M213 HydrophobicContact CB-CB 4.4Å; A208-M213 HydrophobicContact CB-CE 4.38Å; A208-M213 HydrophobicContact CB-CG 3.5Å; A208-M213 VanDerWaalsContact CB-CG 3.5Å; A208-D738 VanDerWaalsContact CB-O 3.28Å; A208-D738 WeakPolarHBondContact CB-O 3.31Å; A208-T740 CarbonylContact C-O 3.53Å; A208-T740 VanDerWaalsContact CA-O 3.26Å; A208-T740 WeakPolarHBondContact CA-O 3.18Å
209	M	86.6	Confident	93.9	Very high	13 Å²	13	22.8 Å²	22.8	6%	0.064	11%	0.108	C	C	.	.	S	Bend	trans	-59.1	128.3	172.7	-64.7	-175.8	-179	0	0	109.3	M30 K211 D736 D738 T740	M30-M209 HydrophobicContact CE-CE 3.43Å; M30-M209 VanDerWaalsContact CE-CE 3.43Å; M30-M209 HydrophobicContact CE-SD 3.66Å; M30-M209 HydrophobicContact SD-CE 4.17Å; M209-K211 PolarHBondContact O-N 3.16Å; M209-D736 WeakPolarHBondContact CE-O 3.42Å; M209-D738 PolarHBondContact N-O 2.86Å; M209-T740 WeakPolarHBondContact CE-OG1 3.43Å; M209-T740 PolarHBondContact N-O 3.04Å
210	W	81.4	Confident	93.9	Very high	157 Å²	157	21.8 Å²	21.8	60%	0.595	11%	0.107	S	C	*	.	S	Bend	trans	70.4	-32.3	174.9	-38.7	107.6	0	0	0	116.9	L146 V147 A208	L146-W210 PolarHBondContact O-N 2.86Å; V147-W210 HydrophobicContact CG1-CE3 4.41Å; V147-W210 HydrophobicContact CG1-CZ3 4.43Å; V147-W210 WeakPolarHBondContact O-CZ3 3.31Å; A208-W210 PolarHBondContact O-N 3.47Å
211	K	88.8	Confident	93.9	Very high	89 Å²	89	22.3 Å²	22.3	39%	0.387	11%	0.108	S	C	.	.	S	Bend	trans	-141.1	161.6	-170.3	-66.8	-179.8	176.2	175.4	0	113	E45 A208 M209	E45-K211 HydrophobicContact CG-CD 4.34Å; E45-K211 WeakPolarHBondContact OE2-CD 3.27Å; E45-K211 IonicContact OE2-NZ 3.73Å; E45-K211 PolarHBondContact OE2-NZ 2.77Å; A208-K211 PolarHBondContact N-O 2.71Å; M209-K211 PolarHBondContact O-N 3.16Å
212	M	95.7	Very high	93.9	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.7	164.8	-67	-55.8	-63.5	0	0	109.3	V46 I48 L142 L146 V158 L161 V205 R206 P207	V46-M212 HydrophobicContact CB-CB 4.07Å; V46-M212 PolarHBondContact N-O 2.65Å; I48-M212 HydrophobicContact CD1-CG 4.1Å; L142-M212 HydrophobicContact CD1-SD 4.12Å; L142-M212 HydrophobicContact CD2-CG 4.17Å; L142-M212 HydrophobicContact CD2-SD 3.97Å; L142-M212 HydrophobicContact CG-SD 4.25Å; L146-M212 HydrophobicContact CD1-CG 3.78Å; L146-M212 HydrophobicContact CD1-SD 3.57Å; L146-M212 VanDerWaalsContact CD1-SD 3.57Å; L146-M212 HydrophobicContact CD2-SD 4.26Å; L146-M212 HydrophobicContact CG-SD 4.49Å; V158-M212 HydrophobicContact CG1-CE 4.08Å; V158-M212 HydrophobicContact CG2-CE 4.09Å; L161-M212 HydrophobicContact CD2-CB 4.12Å; L161-M212 HydrophobicContact CD2-CE 4.09Å; L161-M212 HydrophobicContact CD2-CG 3.89Å; V205-M212 HydrophobicContact CG1-CE 3.43Å; V205-M212 VanDerWaalsContact CG1-CE 3.43Å; R206-M212 VanDerWaalsContact C-CE 3.48Å; P207-M212 HydrophobicContact CB-CE 4.4Å; P207-M212 HydrophobicContact CB-SD 4.04Å
213	M	97.3	Very high	93.9	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.049	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133	-178.6	-64.4	-73.2	-172.8	0	0	110.5	Y43 E45 V205 R206 A208	Y43-M213 HydrophobicContact CD1-CB 3.44Å; Y43-M213 VanDerWaalsContact CD1-CB 3.44Å; Y43-M213 HydrophobicContact CD1-CG 3.8Å; Y43-M213 HydrophobicContact CE1-CB 4.15Å; Y43-M213 HydrophobicContact CG-CB 4.27Å; E45-M213 HydrophobicContact CB-SD 4.47Å; E45-M213 HydrophobicContact CG-CE 4.04Å; E45-M213 HydrophobicContact CG-SD 3.93Å; V205-M213 CarbonylContact C-O 3.52Å; V205-M213 WeakPolarHBondContact CA-O 3.16Å; R206-M213 PolarHBondContact N-O 3.45Å; R206-M213 PolarHBondContact O-N 3.41Å; A208-M213 HydrophobicContact CB-CB 4.4Å; A208-M213 HydrophobicContact CB-CE 4.38Å; A208-M213 HydrophobicContact CB-CG 3.5Å; A208-M213 VanDerWaalsContact CB-CG 3.5Å
214	L	97.8	Very high	94	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.4	168.2	-177.8	68.8	0	0	0	108.1	Y43 F44 V46 M165 Q203 V205 I216 M382 F387 V400	Y43-L214 WeakPolarHBondContact CA-O 3.44Å; F44-L214 HydrophobicContact CB-CB 4.27Å; F44-L214 WeakPolarHBondContact CD2-O 3.19Å; F44-L214 PolarHBondContact N-O 2.73Å; F44-L214 PolarHBondContact O-N 2.85Å; V46-L214 HydrophobicContact CG2-CB 3.65Å; M165-L214 HydrophobicContact CE-CB 4.2Å; M165-L214 HydrophobicContact CE-CD1 3.6Å; M165-L214 HydrophobicContact CE-CD2 3.71Å; M165-L214 HydrophobicContact CE-CG 4.03Å; M165-L214 HydrophobicContact SD-CD1 4.06Å; Q203-L214 HydrophobicContact CG-CD1 3.71Å; V205-L214 HydrophobicContact CG2-CD1 4.18Å; L214-I216 HydrophobicContact CD1-CD1 4.08Å; L214-I216 HydrophobicContact CD2-CD1 3.93Å; L214-I216 HydrophobicContact CD2-CG1 3.9Å; L214-I216 HydrophobicContact CG-CD1 3.79Å; L214-I216 HydrophobicContact CG-CG1 3.85Å; L214-M382 HydrophobicContact CD2-CE 4.41Å; L214-F387 HydrophobicContact CD2-CD1 4.46Å; L214-F387 HydrophobicContact CD2-CD2 4.13Å; L214-F387 HydrophobicContact CD2-CE1 4.25Å; L214-F387 HydrophobicContact CD2-CE2 3.92Å; L214-F387 HydrophobicContact CD2-CG 4.4Å; L214-F387 HydrophobicContact CD2-CZ 3.98Å; L214-V400 HydrophobicContact CD2-CG1 3.84Å
215	N	97.9	Very high	94.1	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.1	174.1	174.5	-131.8	0	0	0	110.5	N42 Y43 Q203 S204 H711	N42-N215 PolarHBondContact ND2-ND2 2.84Å; N42-N215 WeakPolarHBondContact O-CA 3.39Å; N42-N215 PolarHBondContact O-ND2 3.37Å; N42-N215 PolarHBondContact OD1-ND2 2.93Å; Y43-N215 HydrophobicContact CD2-CB 4.08Å; Y43-N215 WeakPolarHBondContact CD2-ND2 3.43Å; Y43-N215 HydrophobicContact CE2-CB 3.8Å; Y43-N215 VanDerWaalsContact CE2-ND2 3.3Å; Y43-N215 WeakPolarHBondContact CE2-ND2 3.48Å; Q203-N215 WeakPolarHBondContact CA-O 3.45Å; S204-N215 PolarHBondContact N-O 2.7Å; S204-N215 PolarHBondContact O-N 3.15Å; N215-H711 PolarHBondContact ND2-O 2.79Å; N215-H711 VanDerWaalsContact OD1-CB 3.31Å; N215-H711 WeakPolarHBondContact OD1-CB 3.37Å
216	I	97.9	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.7	179.9	-60.6	-58	0	0	0	110.3	N42 F44 H202 Q203 L214 I378 L381 M382 F387	N42-I216 VanDerWaalsContact CB-O 3.32Å; N42-I216 WeakPolarHBondContact CB-O 3.3Å; N42-I216 PolarHBondContact ND2-O 2.93Å; N42-I216 PolarHBondContact O-N 3.25Å; F44-I216 HydrophobicContact CD2-CB 4.2Å; F44-I216 HydrophobicContact CD2-CG1 4.14Å; F44-I216 HydrophobicContact CE2-CB 3.94Å; F44-I216 HydrophobicContact CE2-CG1 4.35Å; H202-I216 WeakPolarHBondContact O-CA 3.29Å; Q203-I216 HydrophobicContact CB-CD1 3.79Å; Q203-I216 HydrophobicContact CG-CD1 3.71Å; L214-I216 HydrophobicContact CD1-CD1 4.08Å; L214-I216 HydrophobicContact CD2-CD1 3.93Å; L214-I216 HydrophobicContact CD2-CG1 3.9Å; L214-I216 HydrophobicContact CG-CD1 3.79Å; L214-I216 HydrophobicContact CG-CG1 3.85Å; I216-I378 HydrophobicContact CG2-CG2 4.33Å; I216-L381 HydrophobicContact CG2-CD2 3.69Å; I216-M382 HydrophobicContact CB-SD 4.18Å; I216-M382 HydrophobicContact CG1-SD 3.64Å; I216-M382 HydrophobicContact CG2-SD 4.32Å; I216-F387 HydrophobicContact CD1-CE2 4.48Å; I216-F387 HydrophobicContact CD1-CZ 4.09Å
217	D	97.2	Very high	94.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.1	176.3	-172.4	21.6	0	0	0	110.5	F201 H202 R374 H711 R713	F201-D217 CarbonylContact C-O 3.54Å; F201-D217 VanDerWaalsContact CA-O 3.3Å; F201-D217 WeakPolarHBondContact CA-O 3.1Å; H202-D217 HydrophobicContact CB-CB 4.34Å; H202-D217 PolarHBondContact N-O 3.5Å; H202-D217 PolarHBondContact O-N 3.24Å; D217-R374 IonicContact OD1-CZ 2.86Å; D217-R374 IonicContact OD1-NE 3.93Å; D217-R374 PolarHBondContact OD1-NE 3.43Å; D217-R374 IonicContact OD1-NH2 3.38Å; D217-R374 PolarHBondContact OD1-NH2 3Å; D217-R374 IonicContact OD2-CZ 2.91Å; D217-R374 IonicContact OD2-NE 3.26Å; D217-R374 IonicContact OD2-NH2 2.6Å; D217-R374 PolarHBondContact OD2-NH2 3.36Å; D217-H711 HydrophobicContact CB-CB 4.05Å; D217-H711 IonicContact OD2-ND1 2.79Å; D217-R713 IonicContact OD2-CZ 3.62Å; D217-R713 VanDerWaalsContact OD2-CZ 3.32Å; D217-R713 IonicContact OD2-NE 3.65Å; D217-R713 IonicContact OD2-NH2 3.2Å; D217-R713 PolarHBondContact OD2-NH2 2.87Å
218	V	94.6	Very high	94.5	Very high	20 Å²	20	24.9 Å²	24.9	12%	0.121	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.5	172.6	-66.8	0	0	0	0	110.8	R374 E377 I378 L381	V218-R374 HydrophobicContact CG2-CG 3.66Å; V218-R374 PolarHBondContact O-NH2 3.29Å; V218-E377 HydrophobicContact CG1-CB 4.09Å; V218-I378 HydrophobicContact CG1-CG1 4.01Å; V218-I378 HydrophobicContact CG2-CG1 4.25Å; V218-L381 HydrophobicContact CG1-CD1 4.26Å
219	S	91.8	Very high	94.8	Very high	28 Å²	28	24.9 Å²	24.9	20%	0.196	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.5	-175.4	-173.6	0	0	0	0	110.7	F199 G200	F199-S219 CarbonylContact C-O 3.54Å; F199-S219 WeakPolarHBondContact CA-O 3.17Å; G200-S219 PolarHBondContact N-O 3.41Å; G200-S219 PolarHBondContact O-N 3.5Å; G200-S219 VanDerWaalsContact O-O 3.1Å
220	A	93.1	Very high	95.3	Very high	22 Å²	22	25 Å²	25	18%	0.182	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.5	174.9	0	0	0	0	0	109.4	V197 W198 F199 M363 T367	V197-A220 HydrophobicContact CG1-CB 3.92Å; W198-A220 VanDerWaalsContact O-CA 3.31Å; W198-A220 WeakPolarHBondContact O-CA 3.4Å; F199-A220 HydrophobicContact CD1-CB 3.75Å; F199-A220 HydrophobicContact CE1-CB 3.83Å; A220-M363 WeakPolarHBondContact O-CE 3.47Å; A220-T367 HydrophobicContact CB-CG2 3.32Å
221	T	94.9	Very high	96	Very high	22 Å²	22	22.6 Å²	22.6	14%	0.135	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	162.1	176.2	-155.5	0	0	0	0	111.5	F181 W198 F223	F181-T221 HydrophobicContact CD1-CG2 4.01Å; F181-T221 HydrophobicContact CD2-CG2 4.23Å; F181-T221 HydrophobicContact CE1-CG2 3.65Å; F181-T221 HydrophobicContact CE2-CG2 3.87Å; F181-T221 HydrophobicContact CG-CG2 4.29Å; F181-T221 HydrophobicContact CZ-CG2 3.56Å; W198-T221 PolarHBondContact N-O 2.99Å; W198-T221 PolarHBondContact O-N 2.96Å; T221-F223 HydrophobicContact CG2-CD2 3.84Å; T221-F223 HydrophobicContact CG2-CE2 3.34Å; T221-F223 HydrophobicContact CG2-CZ 4.26Å
222	A	95.7	Very high	96.4	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.033	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.7	-177.9	0	0	0	0	0	110.9	L191 E196 C351 L355	L191-A222 HydrophobicContact CD1-CB 3.84Å; E196-A222 CarbonylContact O-C 3.16Å; E196-A222 WeakPolarHBondContact O-CA 3.49Å; A222-C351 HydrophobicContact CB-CB 3.91Å; A222-C351 WeakPolarHBondContact O-CB 3.4Å; A222-C351 PolarHBondContact O-N 3.38Å; A222-L355 HydrophobicContact CB-CD1 4.28Å; A222-L355 HydrophobicContact CB-CD2 3.96Å
223	F	97.2	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.3	171.5	-80.8	-101.9	0	0	0	109.9	T174 V176 F181 R195 E196 W198 T221 Q349 R350	T174-F223 HydrophobicContact CG2-CE1 4.12Å; T174-F223 HydrophobicContact CG2-CZ 4.32Å; V176-F223 HydrophobicContact CG2-CZ 4.16Å; F181-F223 HydrophobicContact CB-CE2 3.86Å; F181-F223 HydrophobicContact CB-CZ 3.86Å; F181-F223 HydrophobicContact CD1-CE2 4.25Å; F181-F223 HydrophobicContact CD2-CE2 4.37Å; F181-F223 HydrophobicContact CD2-CZ 4.38Å; F181-F223 AromaticContact CG-CE2 3.91Å; F181-F223 HydrophobicContact CG-CE2 3.91Å; F181-F223 HydrophobicContact CG-CZ 4.16Å; R195-F223 CarbonylContact C-O 3.44Å; R195-F223 VanDerWaalsContact CA-O 3.29Å; R195-F223 WeakPolarHBondContact CA-O 3.37Å; E196-F223 PolarHBondContact N-O 3.02Å; E196-F223 PolarHBondContact O-N 3.05Å; W198-F223 HydrophobicContact CB-CD2 3.46Å; W198-F223 VanDerWaalsContact CB-CD2 3.46Å; W198-F223 HydrophobicContact CB-CE2 3.73Å; W198-F223 HydrophobicContact CB-CG 4.28Å; W198-F223 HydrophobicContact CD2-CB 3.96Å; W198-F223 AromaticContact CD2-CD1 3.9Å; W198-F223 HydrophobicContact CD2-CD1 3.9Å; W198-F223 AromaticContact CD2-CD2 3.59Å; W198-F223 HydrophobicContact CD2-CD2 3.59Å; W198-F223 HydrophobicContact CD2-CE1 4.28Å; W198-F223 AromaticContact CD2-CE2 3.96Å; W198-F223 HydrophobicContact CD2-CE2 3.96Å; W198-F223 AromaticContact CD2-CG 3.54Å; W198-F223 HydrophobicContact CD2-CG 3.54Å; W198-F223 HydrophobicContact CD2-CZ 4.3Å; W198-F223 AromaticContact CE2-CG 3.9Å; W198-F223 AromaticContact CE3-CD1 3.84Å; W198-F223 HydrophobicContact CE3-CD1 3.84Å; W198-F223 AromaticContact CE3-CD2 3.91Å; W198-F223 HydrophobicContact CE3-CD2 3.91Å; W198-F223 AromaticContact CE3-CE1 3.77Å; W198-F223 HydrophobicContact CE3-CE1 3.77Å; W198-F223 AromaticContact CE3-CE2 3.8Å; W198-F223 HydrophobicContact CE3-CE2 3.8Å; W198-F223 AromaticContact CE3-CG 3.91Å; W198-F223 HydrophobicContact CE3-CG 3.91Å; W198-F223 AromaticContact CE3-CZ 3.75Å; W198-F223 HydrophobicContact CE3-CZ 3.75Å; W198-F223 HydrophobicContact CG-CB 3.91Å; W198-F223 AromaticContact CG-CD2 3.39Å; W198-F223 HydrophobicContact CG-CD2 3.39Å; W198-F223 AromaticContact CG-CE2 3.96Å; W198-F223 HydrophobicContact CG-CE2 3.96Å; W198-F223 AromaticContact CG-CG 3.69Å; W198-F223 HydrophobicContact CG-CG 3.69Å; W198-F223 HydrophobicContact CH2-CD1 4.41Å; W198-F223 HydrophobicContact CZ2-CD1 4.43Å; W198-F223 HydrophobicContact CZ3-CD1 4.11Å; W198-F223 AromaticContact CZ3-CE1 3.99Å; W198-F223 HydrophobicContact CZ3-CE1 3.99Å; W198-F223 HydrophobicContact CZ3-CZ 4.32Å; T221-F223 HydrophobicContact CG2-CD2 3.84Å; T221-F223 HydrophobicContact CG2-CE2 3.34Å; T221-F223 HydrophobicContact CG2-CZ 4.26Å; F223-Q349 WeakPolarHBondContact CA-O 3.49Å; F223-Q349 VanDerWaalsContact CD1-C 3.42Å; F223-R350 HydrophobicContact CD1-CB 4.39Å; F223-R350 HydrophobicContact CE1-CB 4.07Å; F223-R350 HydrophobicContact CZ-CB 4.29Å
224	Y	96.9	Very high	96.3	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134	166	-68	-76.8	0	0	0	109.1	G194 R195 F232 L264 Q349 C351	G194-Y224 WeakPolarHBondContact O-CA 3.38Å; R195-Y224 HydrophobicContact CG-CD1 4.1Å; R195-Y224 HydrophobicContact CG-CE1 4.13Å; Y224-F232 AromaticContact CD1-CE2 3.81Å; Y224-F232 HydrophobicContact CD1-CE2 3.81Å; Y224-F232 HydrophobicContact CD1-CZ 4.42Å; Y224-F232 HydrophobicContact CE1-CE2 4.1Å; Y224-F232 HydrophobicContact CE1-CZ 4.31Å; Y224-L264 HydrophobicContact CD1-CD1 3.95Å; Y224-L264 HydrophobicContact CD2-CD1 4.27Å; Y224-L264 HydrophobicContact CD2-CD2 3.66Å; Y224-L264 HydrophobicContact CE1-CD1 3.87Å; Y224-L264 HydrophobicContact CE1-CD2 4.4Å; Y224-L264 HydrophobicContact CE2-CD1 4.22Å; Y224-L264 HydrophobicContact CE2-CD2 3.3Å; Y224-L264 HydrophobicContact CE2-CG 4.4Å; Y224-L264 HydrophobicContact CG-CD1 4.13Å; Y224-L264 HydrophobicContact CG-CD2 4.35Å; Y224-Q349 HydrophobicContact CD2-CB 4.26Å; Y224-Q349 WeakPolarHBondContact CD2-O 3.49Å; Y224-Q349 PolarHBondContact N-O 3.03Å; Y224-C351 HydrophobicContact CD2-CB 4.33Å; Y224-C351 HydrophobicContact CE2-CB 3.95Å
225	K	97	Very high	96.2	Very high	19 Å²	19	21.3 Å²	21.3	8%	0.083	13%	0.127	C	C	.	.			trans	-60.7	141.9	175.2	-72.1	175.7	158.2	-170.5	0	110.6	Y188 G194 E196 Q227 E235 I345	Y188-K225 VanDerWaalsContact OH-CE 3.27Å; Y188-K225 WeakPolarHBondContact OH-CE 3.39Å; Y188-K225 PolarHBondContact OH-NZ 2.95Å; G194-K225 PolarHBondContact O-N 3.06Å; E196-K225 HydrophobicContact CB-CG 3.95Å; E196-K225 HydrophobicContact CG-CG 3.84Å; K225-Q227 HydrophobicContact CB-CB 4.45Å; K225-Q227 HydrophobicContact CB-CG 4.08Å; K225-Q227 VanDerWaalsContact CD-OE1 3.29Å; K225-Q227 PolarHBondContact O-N 3.3Å; K225-E235 IonicContact NZ-OE1 2.79Å; K225-E235 PolarHBondContact NZ-OE1 3.14Å; K225-I345 WeakPolarHBondContact O-CB 3.48Å; K225-I345 VanDerWaalsContact O-CG2 3.28Å; K225-I345 WeakPolarHBondContact O-CG2 3.35Å
226	A	96.4	Very high	96.1	Very high	64 Å²	64	21.4 Å²	21.4	53%	0.529	13%	0.128	S	C	.	.			trans	-80.5	97.8	167.7	0	0	0	0	0	108.9	I345 A347	A226-I345 WeakPolarHBondContact CA-O 3.32Å; A226-A347 HydrophobicContact CB-CB 3.73Å
227	Q	96.8	Very high	95.9	Very high	16 Å²	16	22.2 Å²	22.2	8%	0.075	13%	0.132	C	C	.	.			trans	-152.3	163.2	-172.7	67.7	-174.7	5.3	0	0	111.7	K225 F232 E235 N344 I345	K225-Q227 HydrophobicContact CB-CB 4.45Å; K225-Q227 HydrophobicContact CB-CG 4.08Å; K225-Q227 VanDerWaalsContact CD-OE1 3.29Å; K225-Q227 PolarHBondContact O-N 3.3Å; Q227-F232 HydrophobicContact CG-CB 4.27Å; Q227-F232 VanDerWaalsContact NE2-CA 3.34Å; Q227-E235 PolarHBondContact OE1-OE1 3.48Å; Q227-N344 WeakPolarHBondContact O-CA 3.43Å; Q227-I345 PolarHBondContact O-N 3.29Å
228	P	97.8	Very high	95.6	Very high	50 Å²	50	28.9 Å²	28.9	33%	0.325	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-53	142.2	171.4	-26.2	35.5	0	0	0	112.6	I230 E231 F232 N344	P228-I230 PolarHBondContact O-N 2.87Å; P228-E231 HydrophobicContact CB-CG 4.31Å; P228-E231 HydrophobicContact CG-CG 4.41Å; P228-E231 PolarHBondContact O-N 3.42Å; P228-E231 VanDerWaalsContact O-N 3.16Å; P228-F232 PolarHBondContact O-N 3.3Å; P228-N344 WeakPolarHBondContact CA-OD1 3.5Å
229	V	98	Very high	95.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-29.3	178.8	168.8	0	0	0	0	111.6	F232 M233 F257 I261 V266 L327 L340 C343 I345	V229-F232 PolarHBondContact O-N 3.35Å; V229-M233 WeakPolarHBondContact O-CB 3.4Å; V229-M233 PolarHBondContact O-N 3.09Å; V229-F257 HydrophobicContact CG1-CZ 3.96Å; V229-I261 HydrophobicContact CG1-CD1 3.65Å; V229-I261 HydrophobicContact CG2-CD1 4.21Å; V229-V266 HydrophobicContact CG2-CG1 3.87Å; V229-L327 HydrophobicContact CG1-CD1 4.22Å; V229-L327 HydrophobicContact CG2-CD1 4.25Å; V229-L340 HydrophobicContact CG1-CB 4.08Å; V229-L340 HydrophobicContact CG1-CD2 4.06Å; V229-L340 HydrophobicContact CG1-CG 4.47Å; V229-C343 HydrophobicContact CB-CB 4.13Å; V229-C343 WeakPolarHBondContact CB-O 3.46Å; V229-C343 HydrophobicContact CG2-CB 3.58Å; V229-C343 WeakPolarHBondContact CG2-O 3.39Å; V229-C343 PolarHBondContact N-O 3.45Å; V229-I345 HydrophobicContact CG2-CD1 3.99Å; V229-I345 HydrophobicContact CG2-CG1 4.33Å
230	I	96.5	Very high	95.1	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.087	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-51.4	172.7	-63.3	-67.9	0	0	0	110.8	P228 F232 M233 C234 I242 Y321 L324 L340 E341	P228-I230 PolarHBondContact O-N 2.87Å; I230-F232 VanDerWaalsContact C-N 3.33Å; I230-F232 PolarHBondContact O-N 2.92Å; I230-M233 WeakPolarHBondContact O-CB 3.27Å; I230-M233 PolarHBondContact O-N 3.34Å; I230-M233 VanDerWaalsContact O-N 3.16Å; I230-C234 PolarHBondContact O-N 3.31Å; I230-C234 PolarHBondContact O-SG 3.34Å; I230-C234 VanDerWaalsContact O-SG 3.34Å; I230-I242 HydrophobicContact CG2-CG1 4.47Å; I230-I242 HydrophobicContact CG2-CG2 4.18Å; I230-Y321 HydrophobicContact CD1-CD2 4.11Å; I230-Y321 HydrophobicContact CG1-CD2 4.47Å; I230-L324 HydrophobicContact CD1-CD1 3.56Å; I230-L340 HydrophobicContact CD1-CB 3.56Å; I230-L340 HydrophobicContact CD1-CD1 4.34Å; I230-L340 HydrophobicContact CG1-CB 4.27Å; I230-E341 HydrophobicContact CG1-CB 4.23Å
231	E	96.3	Very high	94.6	Very high	105 Å²	105	41 Å²	41	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-40.1	177.5	-68.2	-179.4	-173.3	0	0	112	P228 M233 C234 E235	P228-E231 HydrophobicContact CB-CG 4.31Å; P228-E231 HydrophobicContact CG-CG 4.41Å; P228-E231 PolarHBondContact O-N 3.42Å; P228-E231 VanDerWaalsContact O-N 3.16Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 2.86Å; E231-C234 WeakPolarHBondContact O-CB 3.48Å; E231-C234 PolarHBondContact O-N 3.43Å; E231-E235 PolarHBondContact O-N 2.98Å
232	F	97.6	Very high	94	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-43.7	173.7	178.1	-92.7	0	0	0	112.2	Y224 Q227 P228 V229 I230 E235 V236 F257 E260 I261 L264 I345	Y224-F232 AromaticContact CD1-CE2 3.81Å; Y224-F232 HydrophobicContact CD1-CE2 3.81Å; Y224-F232 HydrophobicContact CD1-CZ 4.42Å; Y224-F232 HydrophobicContact CE1-CE2 4.1Å; Y224-F232 HydrophobicContact CE1-CZ 4.31Å; Q227-F232 HydrophobicContact CG-CB 4.27Å; Q227-F232 VanDerWaalsContact NE2-CA 3.34Å; P228-F232 PolarHBondContact O-N 3.3Å; V229-F232 PolarHBondContact O-N 3.35Å; I230-F232 VanDerWaalsContact C-N 3.33Å; I230-F232 PolarHBondContact O-N 2.92Å; F232-E235 PolarHBondContact O-N 2.87Å; F232-V236 HydrophobicContact CD1-CG2 4.29Å; F232-V236 HydrophobicContact CE1-CG2 3.81Å; F232-V236 HydrophobicContact CE2-CG2 4.22Å; F232-V236 HydrophobicContact CZ-CG2 3.77Å; F232-V236 WeakPolarHBondContact O-CB 3.32Å; F232-V236 VanDerWaalsContact O-CG2 3.29Å; F232-V236 WeakPolarHBondContact O-CG2 3.2Å; F232-V236 PolarHBondContact O-N 3.19Å; F232-F257 AromaticContact CD1-CE2 3.95Å; F232-F257 HydrophobicContact CD1-CE2 3.95Å; F232-F257 HydrophobicContact CE1-CE2 4.2Å; F232-E260 HydrophobicContact CE1-CB 4.32Å; F232-E260 HydrophobicContact CZ-CB 4.18Å; F232-I261 HydrophobicContact CD1-CD1 4.25Å; F232-I261 HydrophobicContact CE1-CB 3.99Å; F232-I261 HydrophobicContact CE1-CD1 4.38Å; F232-I261 HydrophobicContact CE1-CG1 4.27Å; F232-L264 HydrophobicContact CE2-CD1 4.37Å; F232-L264 HydrophobicContact CZ-CD1 4Å; F232-I345 HydrophobicContact CB-CD1 4.49Å; F232-I345 HydrophobicContact CB-CG1 4.09Å; F232-I345 HydrophobicContact CD1-CD1 4.35Å; F232-I345 HydrophobicContact CD2-CD1 4.38Å; F232-I345 HydrophobicContact CD2-CG1 4.2Å; F232-I345 HydrophobicContact CG-CD1 4.14Å; F232-I345 HydrophobicContact CG-CG1 4.1Å
233	M	96.5	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-45.1	175.2	-177.7	-171.2	70.8	0	0	111.1	V229 I230 E231 E235 V236 L237 I242 L249 F257 L324 L340	V229-M233 WeakPolarHBondContact O-CB 3.4Å; V229-M233 PolarHBondContact O-N 3.09Å; I230-M233 WeakPolarHBondContact O-CB 3.27Å; I230-M233 PolarHBondContact O-N 3.34Å; I230-M233 VanDerWaalsContact O-N 3.16Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 2.86Å; M233-E235 PolarHBondContact O-N 2.8Å; M233-V236 PolarHBondContact O-N 3.22Å; M233-L237 HydrophobicContact CG-CD1 3.72Å; M233-L237 HydrophobicContact CG-CG 4.28Å; M233-L237 WeakPolarHBondContact O-CB 3.18Å; M233-L237 WeakPolarHBondContact O-CG 3.4Å; M233-L237 PolarHBondContact O-N 3.32Å; M233-L237 HydrophobicContact SD-CD1 4.39Å; M233-I242 HydrophobicContact CE-CD1 3.6Å; M233-I242 HydrophobicContact CE-CG1 4.45Å; M233-L249 HydrophobicContact SD-CD1 3.86Å; M233-L249 HydrophobicContact SD-CD2 4.26Å; M233-F257 HydrophobicContact CB-CD2 3.94Å; M233-F257 HydrophobicContact CB-CE2 3.65Å; M233-F257 HydrophobicContact CB-CZ 4.24Å; M233-F257 HydrophobicContact CG-CD2 3.84Å; M233-F257 HydrophobicContact CG-CE2 3.98Å; M233-F257 HydrophobicContact CG-CG 4.19Å; M233-F257 HydrophobicContact CG-CZ 4.45Å; M233-L324 HydrophobicContact CE-CD1 3.85Å; M233-L324 HydrophobicContact CE-CD2 4.13Å; M233-L324 HydrophobicContact SD-CD2 4.42Å; M233-L340 HydrophobicContact SD-CD1 3.76Å
234	C	94.9	Very high	92.2	Very high	19 Å²	19	52.4 Å²	52.4	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-47.7	177.7	-68.9	0	0	0	0	112	I230 E231 V236 L237 D238 I239	I230-C234 PolarHBondContact O-N 3.31Å; I230-C234 PolarHBondContact O-SG 3.34Å; I230-C234 VanDerWaalsContact O-SG 3.34Å; E231-C234 WeakPolarHBondContact O-CB 3.48Å; E231-C234 PolarHBondContact O-N 3.43Å; C234-V236 VanDerWaalsContact C-N 3.32Å; C234-V236 PolarHBondContact O-N 3.44Å; C234-L237 PolarHBondContact O-N 2.96Å; C234-D238 WeakPolarHBondContact O-CA 3.48Å; C234-D238 PolarHBondContact O-N 3.39Å; C234-I239 HydrophobicContact CB-CB 4.32Å; C234-I239 WeakPolarHBondContact CB-O 3.42Å; C234-I239 PolarHBondContact O-N 3.43Å
235	E	95.4	Very high	90.6	Very high	55 Å²	55	57.1 Å²	57.1	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-36	176.3	-75.2	-160.3	-145.6	0	0	113.1	G193 G194 K225 Q227 E231 F232 M233	G193-E235 PolarHBondContact N-OE2 2.9Å; G194-E235 VanDerWaalsContact CA-OE2 3.31Å; G194-E235 WeakPolarHBondContact CA-OE2 3.26Å; G194-E235 PolarHBondContact N-OE2 2.96Å; K225-E235 IonicContact NZ-OE1 2.79Å; K225-E235 PolarHBondContact NZ-OE1 3.14Å; Q227-E235 PolarHBondContact OE1-OE1 3.48Å; E231-E235 PolarHBondContact O-N 2.98Å; F232-E235 PolarHBondContact O-N 2.87Å; M233-E235 PolarHBondContact O-N 2.8Å
236	V	94.9	Very high	89.2	Confident	6 Å²	6	60.7 Å²	60.7	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-72.7	-38.9	-179.7	165.3	0	0	0	0	111.9	F232 M233 C234 R256 E260	F232-V236 HydrophobicContact CD1-CG2 4.29Å; F232-V236 HydrophobicContact CE1-CG2 3.81Å; F232-V236 HydrophobicContact CE2-CG2 4.22Å; F232-V236 HydrophobicContact CZ-CG2 3.77Å; F232-V236 WeakPolarHBondContact O-CB 3.32Å; F232-V236 VanDerWaalsContact O-CG2 3.29Å; F232-V236 WeakPolarHBondContact O-CG2 3.2Å; F232-V236 PolarHBondContact O-N 3.19Å; M233-V236 PolarHBondContact O-N 3.22Å; C234-V236 VanDerWaalsContact C-N 3.32Å; C234-V236 PolarHBondContact O-N 3.44Å; V236-R256 HydrophobicContact CG1-CG 4.35Å; V236-R256 VanDerWaalsContact O-CZ 3.22Å; V236-R256 PolarHBondContact O-NE 2.8Å; V236-R256 VanDerWaalsContact O-NE 3.11Å; V236-R256 PolarHBondContact O-NH2 3.02Å; V236-E260 HydrophobicContact CG1-CB 4.01Å; V236-E260 HydrophobicContact CG1-CG 3.74Å; V236-E260 HydrophobicContact CG2-CB 4.03Å; V236-E260 HydrophobicContact CG2-CG 4.14Å
237	L	93.5	Very high	88.5	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-93.7	-2.4	-176.1	-61.3	-176	0	0	0	113.7	M233 C234 I239 L249 Q253 R256 F257	M233-L237 HydrophobicContact CG-CD1 3.72Å; M233-L237 HydrophobicContact CG-CG 4.28Å; M233-L237 WeakPolarHBondContact O-CB 3.18Å; M233-L237 WeakPolarHBondContact O-CG 3.4Å; M233-L237 PolarHBondContact O-N 3.32Å; M233-L237 HydrophobicContact SD-CD1 4.39Å; C234-L237 PolarHBondContact O-N 2.96Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 HydrophobicContact CB-CD1 3.78Å; L237-I239 HydrophobicContact CB-CG1 3.86Å; L237-I239 HydrophobicContact CD1-CD1 3.96Å; L237-L249 HydrophobicContact CD1-CD1 4.31Å; L237-L249 HydrophobicContact CD1-CD2 3.92Å; L237-Q253 HydrophobicContact CD1-CB 4.08Å; L237-Q253 HydrophobicContact CD1-CG 4.46Å; L237-Q253 HydrophobicContact CD2-CB 4.13Å; L237-Q253 HydrophobicContact CD2-CG 4.37Å; L237-Q253 WeakPolarHBondContact CD2-O 3.34Å; L237-R256 HydrophobicContact CD2-CB 4.17Å; L237-R256 HydrophobicContact CD2-CG 4.16Å; L237-F257 HydrophobicContact CD2-CB 4.35Å
238	D	91.6	Very high	88	Confident	141 Å²	141	69.1 Å²	69.1	75%	0.754	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	40	-176.7	-156.9	28	0	0	0	112.4	C234	C234-D238 WeakPolarHBondContact O-CA 3.48Å; C234-D238 PolarHBondContact O-N 3.39Å
239	I	89.9	Confident	87.6	Confident	21 Å²	21	67.7 Å²	67.7	11%	0.108	33%	0.332	C	S	.	.			trans	-92.4	122.5	176.1	-60.2	170.5	0	0	0	107.6	C234 L237 N241	C234-I239 HydrophobicContact CB-CB 4.32Å; C234-I239 WeakPolarHBondContact CB-O 3.42Å; C234-I239 PolarHBondContact O-N 3.43Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 HydrophobicContact CB-CD1 3.78Å; L237-I239 HydrophobicContact CB-CG1 3.86Å; L237-I239 HydrophobicContact CD1-CD1 3.96Å; I239-N241 WeakPolarHBondContact CG2-O 3.34Å
240	R	85.8	Confident	87.4	Confident	246 Å²	246	71.3 Å²	71.3	93%	0.928	35%	0.354	S	S	*	.	S	Bend	trans	-75.2	-44.4	-179.7	-67.4	-177	-179.6	176.1	-0.2	112.5
241	N	82.9	Confident	87.1	Confident	57 Å²	57	73.8 Å²	73.8	31%	0.305	37%	0.367	S	S	.	.			trans	-139.7	123.1	-178.3	-170.9	-6.3	0	0	0	109.2	I239 D243 E244	I239-N241 WeakPolarHBondContact CG2-O 3.34Å; N241-D243 VanDerWaalsContact C-N 3.31Å; N241-D243 PolarHBondContact OD1-N 3.07Å; N241-E244 HydrophobicContact CB-CB 4.26Å; N241-E244 HydrophobicContact CB-CG 4.02Å; N241-E244 PolarHBondContact ND2-OE1 3.45Å
242	I	83.3	Confident	86.9	Confident	15 Å²	15	72.6 Å²	72.6	8%	0.077	37%	0.37	C	S	.	.	S	Bend	trans	-73.2	-28.9	180	-168.6	60.2	0	0	0	111.5	I230 M233 E244 Q245 Y321 L324	I230-I242 HydrophobicContact CG2-CG1 4.47Å; I230-I242 HydrophobicContact CG2-CG2 4.18Å; M233-I242 HydrophobicContact CE-CD1 3.6Å; M233-I242 HydrophobicContact CE-CG1 4.45Å; I242-E244 PolarHBondContact O-N 2.93Å; I242-Q245 PolarHBondContact O-N 3.4Å; I242-Y321 HydrophobicContact CG1-CD1 4.26Å; I242-Y321 HydrophobicContact CG1-CE1 4.11Å; I242-Y321 HydrophobicContact CG2-CE1 3.77Å; I242-L324 HydrophobicContact CD1-CD1 4.4Å; I242-L324 HydrophobicContact CG1-CD1 4.5Å
243	D	82.4	Confident	86.7	Confident	106 Å²	106	75.2 Å²	75.2	57%	0.567	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.7	-177.2	-58.9	-34	0	0	0	111.9	N241 Q245 Y321	N241-D243 VanDerWaalsContact C-N 3.31Å; N241-D243 PolarHBondContact OD1-N 3.07Å; D243-Q245 VanDerWaalsContact C-N 3.34Å; D243-Y321 VanDerWaalsContact OD1-CE1 3.23Å; D243-Y321 WeakPolarHBondContact OD1-CE1 3.4Å; D243-Y321 PolarHBondContact OD1-OH 3.5Å
244	E	72	Confident	86.6	Confident	146 Å²	146	76.6 Å²	76.6	68%	0.682	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.1	174.7	-73.8	169.8	-149.9	0	0	113.4	N241 I242	N241-E244 HydrophobicContact CB-CB 4.26Å; N241-E244 HydrophobicContact CB-CG 4.02Å; N241-E244 PolarHBondContact ND2-OE1 3.45Å; I242-E244 PolarHBondContact O-N 2.93Å
245	Q	62.1	Low	86.6	Confident	101 Å²	101	78.9 Å²	78.9	47%	0.472	40%	0.401	S	S	.	.			trans	-131.1	76.4	178.8	-79.1	-172.4	-9.3	0	0	112.3	I242 D243 K247	I242-Q245 PolarHBondContact O-N 3.4Å; D243-Q245 VanDerWaalsContact C-N 3.34Å; Q245-K247 PolarHBondContact O-N 3.03Å
246	P	68.6	Low	86.5	Confident	94 Å²	94	82.9 Å²	82.9	61%	0.61	41%	0.414	S	S	*	.			trans	-77.2	38	178	34.1	-36.9	0	0	0	113
247	K	80.9	Confident	86.5	Confident	168 Å²	168	82.6 Å²	82.6	73%	0.73	41%	0.412	S	S	*	.	S	Bend	trans	-110.6	153.8	-178.6	-67.5	-175.6	-178.9	179	0	110.8	Q245 H323	Q245-K247 PolarHBondContact O-N 3.03Å; K247-H323 PolarHBondContact O-CD2 3.16Å
248	T	86.4	Confident	86.6	Confident	88 Å²	88	82.9 Å²	82.9	54%	0.54	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-60.7	148.3	170.9	50.1	0	0	0	0	110.4	T250 P287 H323	T248-T250 PolarHBondContact O-N 3.27Å; T248-P287 HydrophobicContact CG2-CB 4.46Å; T248-P287 HydrophobicContact CG2-CG 4.47Å; T248-H323 WeakPolarHBondContact CG2-O 3.4Å
249	L	90.8	Very high	86.6	Confident	20 Å²	20	83.3 Å²	83.3	11%	0.105	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-64.3	135.5	174.1	-59.9	-177.5	0	0	0	110.2	M233 L237 Q253 R254 L324 P325	M233-L249 HydrophobicContact SD-CD1 3.86Å; M233-L249 HydrophobicContact SD-CD2 4.26Å; L237-L249 HydrophobicContact CD1-CD1 4.31Å; L237-L249 HydrophobicContact CD1-CD2 3.92Å; L249-Q253 HydrophobicContact CB-CB 4.22Å; L249-R254 HydrophobicContact CB-CB 4.36Å; L249-L324 HydrophobicContact CD2-CD2 4.28Å; L249-L324 HydrophobicContact CG-CD2 4.26Å; L249-P325 HydrophobicContact CD1-CG 4.02Å
250	T	92.6	Very high	86.8	Confident	77 Å²	77	84.5 Å²	84.5	47%	0.472	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-60.1	157.3	168.1	61.1	0	0	0	0	110.5	T248 S252 Q253 R254	T248-T250 PolarHBondContact O-N 3.27Å; T250-S252 PolarHBondContact O-N 2.86Å; T250-Q253 PolarHBondContact O-N 3.27Å; T250-Q253 VanDerWaalsContact O-N 3.15Å; T250-Q253 WeakPolarHBondContact OG1-CB 3.41Å; T250-Q253 VanDerWaalsContact OG1-CG 3.28Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.29Å; T250-Q253 PolarHBondContact OG1-N 3.33Å; T250-Q253 PolarHBondContact OG1-OE1 2.92Å; T250-R254 PolarHBondContact O-N 3.09Å
251	D	91.4	Very high	87.4	Confident	69 Å²	69	72.8 Å²	72.8	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-56.2	-37.5	177.8	-81	-5.1	0	0	0	111.7	R254 V255 R285	D251-R254 VanDerWaalsContact CG-NH2 3.29Å; D251-R254 IonicContact OD1-CZ 3.92Å; D251-R254 IonicContact OD1-NH1 2.75Å; D251-R254 PolarHBondContact OD1-NH1 3.15Å; D251-R254 IonicContact OD1-NH2 3.84Å; D251-R254 PolarHBondContact OD1-NH2 3.47Å; D251-R254 IonicContact OD2-NH2 3.32Å; D251-V255 WeakPolarHBondContact O-CB 3.25Å; D251-V255 VanDerWaalsContact O-CG2 3.23Å; D251-V255 WeakPolarHBondContact O-CG2 3.41Å; D251-V255 PolarHBondContact O-N 2.96Å; D251-R285 IonicContact OD1-CZ 3.47Å; D251-R285 IonicContact OD1-NH2 3.81Å; D251-R285 IonicContact OD2-CZ 3.03Å; D251-R285 IonicContact OD2-NH1 2.68Å; D251-R285 IonicContact OD2-NH2 2.83Å; D251-R285 PolarHBondContact OD2-NH2 3.36Å
252	S	90.9	Very high	87.9	Confident	79 Å²	79	74.1 Å²	74.1	55%	0.552	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-48.5	175.7	-177.1	0	0	0	0	112.7	T250 V255 R256	T250-S252 PolarHBondContact O-N 2.86Å; S252-V255 PolarHBondContact O-N 2.86Å; S252-R256 WeakPolarHBondContact O-CB 3.16Å; S252-R256 PolarHBondContact O-N 3.4Å
253	Q	93.6	Very high	88.4	Confident	55 Å²	55	74.9 Å²	74.9	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-46	176.2	-75.6	166.4	-41.6	0	0	111.4	L237 L249 T250 V255 R256 F257	L237-Q253 HydrophobicContact CD1-CB 4.08Å; L237-Q253 HydrophobicContact CD1-CG 4.46Å; L237-Q253 HydrophobicContact CD2-CB 4.13Å; L237-Q253 HydrophobicContact CD2-CG 4.37Å; L237-Q253 WeakPolarHBondContact CD2-O 3.34Å; L249-Q253 HydrophobicContact CB-CB 4.22Å; T250-Q253 PolarHBondContact O-N 3.27Å; T250-Q253 VanDerWaalsContact O-N 3.15Å; T250-Q253 WeakPolarHBondContact OG1-CB 3.41Å; T250-Q253 VanDerWaalsContact OG1-CG 3.28Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.29Å; T250-Q253 PolarHBondContact OG1-N 3.33Å; T250-Q253 PolarHBondContact OG1-OE1 2.92Å; Q253-V255 PolarHBondContact O-N 2.84Å; Q253-R256 PolarHBondContact O-N 2.98Å; Q253-F257 WeakPolarHBondContact O-CB 3.46Å; Q253-F257 PolarHBondContact O-N 2.87Å
254	R	95.4	Very high	89	Confident	30 Å²	30	70.4 Å²	70.4	11%	0.113	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-46.6	178	-175.2	-176.3	64	-115.3	-5.3	111	L249 T250 D251 R256 F257 T258 V283 T284	L249-R254 HydrophobicContact CB-CB 4.36Å; T250-R254 PolarHBondContact O-N 3.09Å; D251-R254 VanDerWaalsContact CG-NH2 3.29Å; D251-R254 IonicContact OD1-CZ 3.92Å; D251-R254 IonicContact OD1-NH1 2.75Å; D251-R254 PolarHBondContact OD1-NH1 3.15Å; D251-R254 IonicContact OD1-NH2 3.84Å; D251-R254 PolarHBondContact OD1-NH2 3.47Å; D251-R254 IonicContact OD2-NH2 3.32Å; R254-R256 PolarHBondContact O-N 3.24Å; R254-F257 PolarHBondContact O-N 2.82Å; R254-T258 VanDerWaalsContact O-CB 3.31Å; R254-T258 WeakPolarHBondContact O-CB 3.48Å; R254-T258 PolarHBondContact O-N 3.33Å; R254-T258 PolarHBondContact O-OG1 2.81Å; R254-V283 HydrophobicContact CG-CG1 4.31Å; R254-T284 VanDerWaalsContact CD-O 3.31Å; R254-T284 WeakPolarHBondContact CD-O 3.39Å
255	V	93.6	Very high	90.2	Very high	67 Å²	67	67.2 Å²	67.2	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-43.5	178.5	168.4	0	0	0	0	111.1	D251 S252 Q253 T258 K259	D251-V255 WeakPolarHBondContact O-CB 3.25Å; D251-V255 VanDerWaalsContact O-CG2 3.23Å; D251-V255 WeakPolarHBondContact O-CG2 3.41Å; D251-V255 PolarHBondContact O-N 2.96Å; S252-V255 PolarHBondContact O-N 2.86Å; Q253-V255 PolarHBondContact O-N 2.84Å; V255-T258 PolarHBondContact O-N 3.16Å; V255-K259 HydrophobicContact CG1-CD 4.27Å; V255-K259 WeakPolarHBondContact O-CB 3.45Å; V255-K259 WeakPolarHBondContact O-CG 3.42Å; V255-K259 PolarHBondContact O-N 3.35Å
256	R	93.1	Very high	91.8	Very high	139 Å²	139	62.4 Å²	62.4	53%	0.525	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.2	-178.7	174.5	170.3	176.2	-6.5	111.9	V236 L237 S252 Q253 R254 K259 E260	V236-R256 HydrophobicContact CG1-CG 4.35Å; V236-R256 VanDerWaalsContact O-CZ 3.22Å; V236-R256 PolarHBondContact O-NE 2.8Å; V236-R256 VanDerWaalsContact O-NE 3.11Å; V236-R256 PolarHBondContact O-NH2 3.02Å; L237-R256 HydrophobicContact CD2-CB 4.17Å; L237-R256 HydrophobicContact CD2-CG 4.16Å; S252-R256 WeakPolarHBondContact O-CB 3.16Å; S252-R256 PolarHBondContact O-N 3.4Å; Q253-R256 PolarHBondContact O-N 2.98Å; R254-R256 PolarHBondContact O-N 3.24Å; R256-K259 PolarHBondContact O-N 2.73Å; R256-E260 PolarHBondContact O-N 3.48Å
257	F	96.3	Very high	93.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-46	175.9	172.9	-118.6	0	0	0	112	V229 F232 M233 L237 Q253 R254 K259 E260 I261 V283 L327 L340	V229-F257 HydrophobicContact CG1-CZ 3.96Å; F232-F257 AromaticContact CD1-CE2 3.95Å; F232-F257 HydrophobicContact CD1-CE2 3.95Å; F232-F257 HydrophobicContact CE1-CE2 4.2Å; M233-F257 HydrophobicContact CB-CD2 3.94Å; M233-F257 HydrophobicContact CB-CE2 3.65Å; M233-F257 HydrophobicContact CB-CZ 4.24Å; M233-F257 HydrophobicContact CG-CD2 3.84Å; M233-F257 HydrophobicContact CG-CE2 3.98Å; M233-F257 HydrophobicContact CG-CG 4.19Å; M233-F257 HydrophobicContact CG-CZ 4.45Å; L237-F257 HydrophobicContact CD2-CB 4.35Å; Q253-F257 WeakPolarHBondContact O-CB 3.46Å; Q253-F257 PolarHBondContact O-N 2.87Å; R254-F257 PolarHBondContact O-N 2.82Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 2.93Å; F257-E260 PolarHBondContact O-N 2.91Å; F257-I261 HydrophobicContact CD1-CG2 4.42Å; F257-I261 HydrophobicContact CE1-CG2 4.08Å; F257-I261 HydrophobicContact CE2-CB 4.12Å; F257-I261 HydrophobicContact CE2-CD1 3.87Å; F257-I261 HydrophobicContact CE2-CG2 4.19Å; F257-I261 HydrophobicContact CZ-CB 4.26Å; F257-I261 HydrophobicContact CZ-CD1 3.61Å; F257-I261 HydrophobicContact CZ-CG2 3.97Å; F257-I261 WeakPolarHBondContact O-CG2 3.2Å; F257-I261 PolarHBondContact O-N 2.71Å; F257-V283 HydrophobicContact CD1-CG1 4.11Å; F257-V283 HydrophobicContact CD1-CG2 4.02Å; F257-V283 HydrophobicContact CE1-CG1 4.11Å; F257-V283 HydrophobicContact CE1-CG2 3.9Å; F257-L327 HydrophobicContact CE1-CD2 4.2Å; F257-L327 HydrophobicContact CZ-CD2 4.23Å; F257-L340 HydrophobicContact CE1-CD1 4.25Å; F257-L340 HydrophobicContact CE1-CD2 4.25Å; F257-L340 HydrophobicContact CZ-CD1 4.31Å; F257-L340 HydrophobicContact CZ-CD2 4.33Å
258	T	95.9	Very high	93.8	Very high	22 Å²	22	51.9 Å²	51.9	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-46.1	177.4	-54.2	0	0	0	0	111	R254 V255 E260 I261 K262 V283	R254-T258 VanDerWaalsContact O-CB 3.31Å; R254-T258 WeakPolarHBondContact O-CB 3.48Å; R254-T258 PolarHBondContact O-N 3.33Å; R254-T258 PolarHBondContact O-OG1 2.81Å; V255-T258 PolarHBondContact O-N 3.16Å; T258-E260 PolarHBondContact O-N 3.32Å; T258-I261 PolarHBondContact O-N 3.02Å; T258-K262 WeakPolarHBondContact O-CB 3.26Å; T258-K262 PolarHBondContact O-N 3.46Å; T258-V283 HydrophobicContact CG2-CB 4.26Å; T258-V283 HydrophobicContact CG2-CG2 4.14Å; T258-V283 WeakPolarHBondContact OG1-CB 3.43Å
259	K	91.3	Very high	94.1	Very high	150 Å²	150	50.9 Å²	50.9	65%	0.652	26%	0.262	S	S	*	.	H	α-helix	trans	-58.4	-31.5	176.6	-79.2	179.1	180	179.2	0	111.9	V255 R256 F257 K353	V255-K259 HydrophobicContact CG1-CD 4.27Å; V255-K259 WeakPolarHBondContact O-CB 3.45Å; V255-K259 WeakPolarHBondContact O-CG 3.42Å; V255-K259 PolarHBondContact O-N 3.35Å; R256-K259 PolarHBondContact O-N 2.73Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 2.93Å; K259-K353 PolarHBondContact O-NZ 3.48Å
260	E	94.7	Very high	94	Very high	45 Å²	45	51.5 Å²	51.5	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-84.8	-44.3	-179.8	-73.8	-61	158.5	0	0	113.6	R195 F232 V236 R256 F257 T258 K353	R195-E260 IonicContact CZ-OE2 3.37Å; R195-E260 IonicContact NH2-OE1 3.14Å; R195-E260 PolarHBondContact NH2-OE1 3.15Å; R195-E260 IonicContact NH2-OE2 3.25Å; R195-E260 PolarHBondContact NH2-OE2 2.69Å; F232-E260 HydrophobicContact CE1-CB 4.32Å; F232-E260 HydrophobicContact CZ-CB 4.18Å; V236-E260 HydrophobicContact CG1-CB 4.01Å; V236-E260 HydrophobicContact CG1-CG 3.74Å; V236-E260 HydrophobicContact CG2-CB 4.03Å; V236-E260 HydrophobicContact CG2-CG 4.14Å; R256-E260 PolarHBondContact O-N 3.48Å; F257-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact O-N 3.32Å; E260-K353 PolarHBondContact O-NZ 3.47Å
261	I	96.6	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-86	-24.8	-175.1	-160	161.8	0	0	0	114.4	V229 F232 F257 T258 G263 L264 V280 V283 L327 I345	V229-I261 HydrophobicContact CG1-CD1 3.65Å; V229-I261 HydrophobicContact CG2-CD1 4.21Å; F232-I261 HydrophobicContact CD1-CD1 4.25Å; F232-I261 HydrophobicContact CE1-CB 3.99Å; F232-I261 HydrophobicContact CE1-CD1 4.38Å; F232-I261 HydrophobicContact CE1-CG1 4.27Å; F257-I261 HydrophobicContact CD1-CG2 4.42Å; F257-I261 HydrophobicContact CE1-CG2 4.08Å; F257-I261 HydrophobicContact CE2-CB 4.12Å; F257-I261 HydrophobicContact CE2-CD1 3.87Å; F257-I261 HydrophobicContact CE2-CG2 4.19Å; F257-I261 HydrophobicContact CZ-CB 4.26Å; F257-I261 HydrophobicContact CZ-CD1 3.61Å; F257-I261 HydrophobicContact CZ-CG2 3.97Å; F257-I261 WeakPolarHBondContact O-CG2 3.2Å; F257-I261 PolarHBondContact O-N 2.71Å; T258-I261 PolarHBondContact O-N 3.02Å; I261-G263 PolarHBondContact O-N 2.81Å; I261-L264 HydrophobicContact CG1-CD1 4.49Å; I261-L264 WeakPolarHBondContact O-CB 3.34Å; I261-L264 WeakPolarHBondContact O-CG 3.49Å; I261-L264 PolarHBondContact O-N 3.3Å; I261-V280 HydrophobicContact CG1-CG2 4.31Å; I261-V280 HydrophobicContact CG2-CG1 4.28Å; I261-V283 HydrophobicContact CG2-CG2 3.64Å; I261-L327 HydrophobicContact CD1-CD1 4.11Å; I261-L327 HydrophobicContact CD1-CD2 3.82Å; I261-L327 HydrophobicContact CG2-CD2 4.34Å; I261-I345 HydrophobicContact CD1-CD1 4.25Å; I261-I345 HydrophobicContact CG1-CD1 4.47Å
262	K	94.6	Very high	93.1	Very high	86 Å²	86	49.8 Å²	49.8	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	129.1	179	-179.6	168.6	177.8	135.6	0	110.5	T258 C281 E332	T258-K262 WeakPolarHBondContact O-CB 3.26Å; T258-K262 PolarHBondContact O-N 3.46Å; K262-C281 WeakPolarHBondContact CD-O 3.49Å; K262-C281 WeakPolarHBondContact CE-O 3.38Å; K262-C281 WeakPolarHBondContact CG-O 3.22Å; K262-C281 PolarHBondContact NZ-O 3.16Å; K262-E332 IonicContact NZ-OE1 3.58Å; K262-E332 PolarHBondContact NZ-OE1 3.31Å
263	G	92.7	Very high	92	Very high	30 Å²	30	55.1 Å²	55.1	31%	0.309	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-12.6	-177.6	0	0	0	0	0	114.7	I261 R279 V280	I261-G263 PolarHBondContact O-N 2.81Å; G263-R279 PolarHBondContact O-NH1 2.97Å; G263-V280 WeakPolarHBondContact CA-O 3.34Å; G263-V280 PolarHBondContact N-O 2.91Å
264	L	95.9	Very high	90.9	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.068	30%	0.297	C	S	.	.			trans	-75.2	152.7	175.6	-56.6	-172.6	0	0	0	111.2	Y224 F232 I261 V280 I345	Y224-L264 HydrophobicContact CD1-CD1 3.95Å; Y224-L264 HydrophobicContact CD2-CD1 4.27Å; Y224-L264 HydrophobicContact CD2-CD2 3.66Å; Y224-L264 HydrophobicContact CE1-CD1 3.87Å; Y224-L264 HydrophobicContact CE1-CD2 4.4Å; Y224-L264 HydrophobicContact CE2-CD1 4.22Å; Y224-L264 HydrophobicContact CE2-CD2 3.3Å; Y224-L264 HydrophobicContact CE2-CG 4.4Å; Y224-L264 HydrophobicContact CG-CD1 4.13Å; Y224-L264 HydrophobicContact CG-CD2 4.35Å; F232-L264 HydrophobicContact CE2-CD1 4.37Å; F232-L264 HydrophobicContact CZ-CD1 4Å; I261-L264 HydrophobicContact CG1-CD1 4.49Å; I261-L264 WeakPolarHBondContact O-CB 3.34Å; I261-L264 WeakPolarHBondContact O-CG 3.49Å; I261-L264 PolarHBondContact O-N 3.3Å; L264-V280 PolarHBondContact O-N 3.39Å; L264-I345 HydrophobicContact CD1-CD1 4.33Å
265	K	96.3	Very high	90	Very high	79 Å²	79	61 Å²	61	34%	0.343	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.3	170.6	-61.4	175.8	-74.2	170.8	0	110.2	Y278 R279 V346 Q349	K265-Y278 CarbonylContact C-O 3.53Å; K265-Y278 WeakPolarHBondContact CA-O 3.44Å; K265-R279 HydrophobicContact CG-CB 4.5Å; K265-V346 HydrophobicContact CB-CB 4.17Å; K265-V346 HydrophobicContact CB-CG2 4.01Å; K265-V346 PolarHBondContact O-N 3.19Å; K265-V346 VanDerWaalsContact O-N 3.1Å; K265-Q349 PolarHBondContact O-NE2 2.83Å
266	V	97.2	Very high	89.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.9	173.4	-65	0	0	0	0	109.8	V229 K277 Y278 V280 L327 V329 C343 N344 I345	V229-V266 HydrophobicContact CG2-CG1 3.87Å; V266-K277 CarbonylContact O-C 3.5Å; V266-K277 WeakPolarHBondContact O-CA 3.38Å; V266-Y278 PolarHBondContact N-O 2.85Å; V266-Y278 PolarHBondContact O-N 3.01Å; V266-V280 HydrophobicContact CG1-CG2 3.83Å; V266-V280 HydrophobicContact CG2-CG2 3.89Å; V266-L327 HydrophobicContact CG1-CD1 4Å; V266-L327 HydrophobicContact CG2-CD1 4.18Å; V266-V329 HydrophobicContact CG2-CG1 4.32Å; V266-C343 HydrophobicContact CB-CB 4.29Å; V266-N344 CarbonylContact C-O 3.5Å; V266-N344 WeakPolarHBondContact CA-O 3.4Å; V266-N344 WeakPolarHBondContact CB-O 3.41Å; V266-I345 HydrophobicContact CG1-CD1 4.16Å
267	E	95.3	Very high	89.5	Confident	37 Å²	37	64.6 Å²	64.6	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145	171.2	60.9	-173.9	-148.9	0	0	110.5	R276 K277 C343 N344 V346	E267-R276 WeakPolarHBondContact CA-O 3.35Å; E267-K277 HydrophobicContact CB-CG 4.09Å; E267-K277 WeakPolarHBondContact OE2-CE 3.36Å; E267-C343 WeakPolarHBondContact O-CA 3.49Å; E267-N344 HydrophobicContact CG-CB 4Å; E267-N344 PolarHBondContact N-O 3.05Å; E267-N344 PolarHBondContact O-N 3.03Å; E267-V346 HydrophobicContact CB-CG2 3.95Å; E267-V346 HydrophobicContact CG-CG2 4.14Å
268	V	94.5	Very high	89.4	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.7	-177.9	-64	0	0	0	0	111.7	R276 Y278 L338 V342	V268-R276 HydrophobicContact CG2-CB 4.02Å; V268-R276 PolarHBondContact N-O 2.63Å; V268-Y278 HydrophobicContact CG1-CD2 4.08Å; V268-Y278 HydrophobicContact CG1-CE2 3.92Å; V268-L338 HydrophobicContact CG1-CD1 3.78Å; V268-L338 HydrophobicContact CG1-CD2 4.1Å; V268-V342 VanDerWaalsContact CA-O 3.3Å; V268-V342 WeakPolarHBondContact CA-O 3.17Å
269	T	93.2	Very high	89.4	Confident	67 Å²	67	72.4 Å²	72.4	41%	0.411	35%	0.351	S	S	.	.	S	Bend	trans	-111.3	-10.1	-179.1	56.2	0	0	0	0	114.1	V342 N344	T269-V342 PolarHBondContact N-O 3.19Å; T269-V342 WeakPolarHBondContact OG1-CA 3.37Å; T269-V342 PolarHBondContact OG1-O 2.89Å; T269-N344 WeakPolarHBondContact CG2-ND2 3.3Å
270	H	90	Very high	89.7	Confident	32 Å²	32	65.4 Å²	65.4	15%	0.148	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.4	-173	64.1	-82.2	0	0	0	114.8	F311 Y315 L317 V342	H270-F311 AromaticContact CD2-CE1 3.69Å; H270-F311 AromaticContact CE1-CE1 3.79Å; H270-F311 AromaticContact CE1-CZ 3.97Å; H270-F311 AromaticContact CG-CE1 3.81Å; H270-F311 AromaticContact ND1-CE1 3.86Å; H270-F311 AromaticContact NE2-CE1 3.68Å; H270-F311 AromaticContact NE2-CZ 3.93Å; H270-Y315 AromaticContact CD2-CD1 3.97Å; H270-Y315 AromaticContact CD2-CD2 3.86Å; H270-Y315 AromaticContact CD2-CE1 3.89Å; H270-Y315 AromaticContact CD2-CE2 3.78Å; H270-Y315 AromaticContact CD2-CG 3.97Å; H270-Y315 AromaticContact CD2-CZ 3.81Å; H270-Y315 AromaticContact NE2-CE2 3.88Å; H270-Y315 AromaticContact NE2-CZ 3.86Å; H270-L317 HydrophobicContact CB-CD1 3.85Å; H270-V342 HydrophobicContact CB-CB 4.33Å; H270-V342 HydrophobicContact CB-CG1 4.23Å
271	C	85.6	Confident	89.7	Confident	47 Å²	47	63.8 Å²	63.8	32%	0.318	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	27.1	-177	-58.3	0	0	0	0	113.6	Q273 M274	C271-Q273 PolarHBondContact O-N 2.64Å; C271-M274 HydrophobicContact CB-CB 4.04Å; C271-M274 PolarHBondContact O-N 2.86Å; C271-M274 VanDerWaalsContact O-N 3.15Å
272	G	77.7	Confident	89.7	Confident	63 Å²	63	66.7 Å²	66.7	65%	0.649	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-120.5	177.7	0	0	0	0	0	112.8	M274	G272-M274 VanDerWaalsContact C-N 3.29Å; G272-M274 PolarHBondContact O-N 2.96Å
273	Q	69.1	Low	89.9	Confident	191 Å²	191	63 Å²	63	89%	0.893	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.6	-180	-68.7	-174.7	-13.3	0	0	113.7	C271 K275	C271-Q273 PolarHBondContact O-N 2.64Å; Q273-K275 PolarHBondContact O-N 2.95Å
274	M	71.1	Confident	90.1	Very high	98 Å²	98	62 Å²	62	48%	0.483	30%	0.303	S	S	.	.			trans	-79.6	108.6	176.9	-78.2	-169.7	158.4	0	0	111.3	C271 G272 R276	C271-M274 HydrophobicContact CB-CB 4.04Å; C271-M274 PolarHBondContact O-N 2.86Å; C271-M274 VanDerWaalsContact O-N 3.15Å; G272-M274 VanDerWaalsContact C-N 3.29Å; G272-M274 PolarHBondContact O-N 2.96Å; M274-R276 PolarHBondContact O-N 3.07Å
275	K	75.6	Confident	90.1	Very high	110 Å²	110	69.8 Å²	69.8	48%	0.478	33%	0.331	S	S	.	.			trans	-102.1	62.1	179.9	-67.2	-171.3	179.1	-176.4	0	111	E121 Q273 K277	E121-K275 PolarHBondContact OE2-N 3.43Å; Q273-K275 PolarHBondContact O-N 2.95Å; K275-K277 PolarHBondContact O-N 3.06Å
276	R	85.8	Confident	90.1	Very high	161 Å²	161	72.9 Å²	72.9	61%	0.608	34%	0.341	S	S	*	.			trans	-61.3	129.8	-177.7	-169.8	166.7	174.6	-170.3	0.8	111.2	E267 V268 M274 Y278	E267-R276 WeakPolarHBondContact CA-O 3.35Å; V268-R276 HydrophobicContact CG2-CB 4.02Å; V268-R276 PolarHBondContact N-O 2.63Å; M274-R276 PolarHBondContact O-N 3.07Å; R276-Y278 HydrophobicContact CB-CE2 4.05Å; R276-Y278 WeakPolarHBondContact CD-OH 3.31Å; R276-Y278 HydrophobicContact CG-CD2 4.35Å; R276-Y278 HydrophobicContact CG-CE2 3.67Å; R276-Y278 PolarHBondContact NE-OH 2.91Å; R276-Y278 VanDerWaalsContact NE-OH 3.09Å; R276-Y278 PolarHBondContact NH1-OH 2.86Å; R276-Y278 VanDerWaalsContact NH1-OH 3.15Å
277	K	91.2	Very high	90.1	Very high	122 Å²	122	74 Å²	74	53%	0.53	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.3	-179.1	-65.2	174	-175.2	167.1	0	111.1	V266 E267 K275 V346	V266-K277 CarbonylContact O-C 3.5Å; V266-K277 WeakPolarHBondContact O-CA 3.38Å; E267-K277 HydrophobicContact CB-CG 4.09Å; E267-K277 WeakPolarHBondContact OE2-CE 3.36Å; K275-K277 PolarHBondContact O-N 3.06Å; K277-V346 HydrophobicContact CD-CG1 4.36Å; K277-V346 HydrophobicContact CD-CG2 4.36Å; K277-V346 HydrophobicContact CG-CG2 4.16Å
278	Y	93.7	Very high	90.2	Very high	47 Å²	47	72.3 Å²	72.3	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154	179.3	-67.9	-82.6	0	0	0	111.2	K265 V266 V268 R276 V329 L338	K265-Y278 CarbonylContact C-O 3.53Å; K265-Y278 WeakPolarHBondContact CA-O 3.44Å; V266-Y278 PolarHBondContact N-O 2.85Å; V266-Y278 PolarHBondContact O-N 3.01Å; V268-Y278 HydrophobicContact CG1-CD2 4.08Å; V268-Y278 HydrophobicContact CG1-CE2 3.92Å; R276-Y278 HydrophobicContact CB-CE2 4.05Å; R276-Y278 WeakPolarHBondContact CD-OH 3.31Å; R276-Y278 HydrophobicContact CG-CD2 4.35Å; R276-Y278 HydrophobicContact CG-CE2 3.67Å; R276-Y278 PolarHBondContact NE-OH 2.91Å; R276-Y278 VanDerWaalsContact NE-OH 3.09Å; R276-Y278 PolarHBondContact NH1-OH 2.86Å; R276-Y278 VanDerWaalsContact NH1-OH 3.15Å; Y278-V329 HydrophobicContact CD1-CB 4.28Å; Y278-V329 HydrophobicContact CD1-CG2 3.73Å; Y278-V329 HydrophobicContact CE1-CG2 4.32Å; Y278-V329 HydrophobicContact CG-CB 4.24Å; Y278-V329 HydrophobicContact CG-CG2 3.88Å; Y278-L338 HydrophobicContact CD2-CD1 3.94Å; Y278-L338 HydrophobicContact CE2-CD1 4.34Å; Y278-L338 HydrophobicContact CG-CD1 4.4Å
279	R	95.3	Very high	90.3	Very high	139 Å²	139	74.1 Å²	74.1	53%	0.525	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.4	168.4	-172	177.6	-60.8	-84	3.9	109.5	G263 K265 C281 V329 G330	G263-R279 PolarHBondContact O-NH1 2.97Å; K265-R279 HydrophobicContact CG-CB 4.5Å; R279-C281 PolarHBondContact O-N 2.94Å; R279-V329 WeakPolarHBondContact O-CA 3.45Å; R279-G330 PolarHBondContact O-N 2.86Å; R279-G330 VanDerWaalsContact O-N 3.09Å
280	V	96.9	Very high	90.5	Very high	2 Å²	2	76.8 Å²	76.8	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.1	176.2	-175.4	0	0	0	0	109.5	I261 G263 L264 V266 N282 L327 V329	I261-V280 HydrophobicContact CG1-CG2 4.31Å; I261-V280 HydrophobicContact CG2-CG1 4.28Å; G263-V280 WeakPolarHBondContact CA-O 3.34Å; G263-V280 PolarHBondContact N-O 2.91Å; L264-V280 PolarHBondContact O-N 3.39Å; V266-V280 HydrophobicContact CG1-CG2 3.83Å; V266-V280 HydrophobicContact CG2-CG2 3.89Å; V280-N282 WeakPolarHBondContact CG1-O 3.12Å; V280-L327 HydrophobicContact CG1-CB 4.36Å; V280-L327 HydrophobicContact CG1-CD2 4.24Å; V280-L327 HydrophobicContact CG2-CB 4.44Å; V280-L327 HydrophobicContact CG2-CD1 3.88Å; V280-V329 HydrophobicContact CG2-CG1 4.23Å
281	C	95.3	Very high	90.9	Very high	12 Å²	12	76.4 Å²	76.4	8%	0.081	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-26.7	176.2	63	0	0	0	0	112.1	K262 R279 Q328 E332	K262-C281 WeakPolarHBondContact CD-O 3.49Å; K262-C281 WeakPolarHBondContact CE-O 3.38Å; K262-C281 WeakPolarHBondContact CG-O 3.22Å; K262-C281 PolarHBondContact NZ-O 3.16Å; R279-C281 PolarHBondContact O-N 2.94Å; C281-Q328 PolarHBondContact N-O 2.83Å; C281-Q328 VanDerWaalsContact SG-C 3.56Å; C281-Q328 PolarHBondContact SG-O 2.87Å; C281-E332 HydrophobicContact CB-CG 3.43Å; C281-E332 VanDerWaalsContact CB-CG 3.43Å
282	N	97.1	Very high	91.4	Very high	61 Å²	61	76 Å²	76	33%	0.326	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	175.2	175.4	-144.7	-12.4	0	0	0	113.1	V280 Q328	V280-N282 WeakPolarHBondContact CG1-O 3.12Å; N282-Q328 HydrophobicContact CB-CB 3.93Å; N282-Q328 VanDerWaalsContact CB-OE1 3.31Å; N282-Q328 PolarHBondContact N-O 2.85Å; N282-Q328 PolarHBondContact O-N 3.12Å
283	V	97.8	Very high	92.3	Very high	8 Å²	8	74.4 Å²	74.4	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.1	168.5	179.6	0	0	0	0	108.1	R254 F257 T258 I261 P325 C326 L327	R254-V283 HydrophobicContact CG-CG1 4.31Å; F257-V283 HydrophobicContact CD1-CG1 4.11Å; F257-V283 HydrophobicContact CD1-CG2 4.02Å; F257-V283 HydrophobicContact CE1-CG1 4.11Å; F257-V283 HydrophobicContact CE1-CG2 3.9Å; T258-V283 HydrophobicContact CG2-CB 4.26Å; T258-V283 HydrophobicContact CG2-CG2 4.14Å; T258-V283 WeakPolarHBondContact OG1-CB 3.43Å; I261-V283 HydrophobicContact CG2-CG2 3.64Å; V283-P325 HydrophobicContact CG1-CB 3.74Å; V283-P325 HydrophobicContact CG1-CG 3.75Å; V283-C326 WeakPolarHBondContact CA-O 3.45Å; V283-L327 HydrophobicContact CG2-CD2 4.12Å
284	T	97.3	Very high	93.6	Very high	10 Å²	10	67.7 Å²	67.7	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	147.7	-175.1	62.2	0	0	0	0	111.8	R254 R286 Q291 P325 C326 Y337	R254-T284 VanDerWaalsContact CD-O 3.31Å; R254-T284 WeakPolarHBondContact CD-O 3.39Å; T284-R286 PolarHBondContact OG1-O 2.89Å; T284-Q291 HydrophobicContact CG2-CG 4.04Å; T284-P325 VanDerWaalsContact O-CB 3.27Å; T284-P325 WeakPolarHBondContact O-CB 3.25Å; T284-C326 HydrophobicContact CG2-CB 3.99Å; T284-C326 PolarHBondContact N-O 2.82Å; T284-C326 PolarHBondContact OG1-N 2.8Å; T284-C326 PolarHBondContact OG1-O 3.49Å; T284-Y337 HydrophobicContact CG2-CD1 3.58Å; T284-Y337 HydrophobicContact CG2-CE1 3.73Å; T284-Y337 HydrophobicContact CG2-CG 4.42Å
285	R	95.7	Very high	94.6	Very high	176 Å²	176	64.8 Å²	64.8	66%	0.664	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	-41	171.5	179.6	173	-175.9	115.9	15.8	111.2	D251	D251-R285 IonicContact OD1-CZ 3.47Å; D251-R285 IonicContact OD1-NH2 3.81Å; D251-R285 IonicContact OD2-CZ 3.03Å; D251-R285 IonicContact OD2-NH1 2.68Å; D251-R285 IonicContact OD2-NH2 2.83Å; D251-R285 PolarHBondContact OD2-NH2 3.36Å
286	R	96.3	Very high	95.3	Very high	144 Å²	144	66.1 Å²	66.1	54%	0.543	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145.6	179.2	-65.3	-177.4	-178.4	176.1	1.6	110.7	T284 H290 Q291	T284-R286 PolarHBondContact OG1-O 2.89Å; R286-H290 HydrophobicContact CB-CB 4.5Å; R286-Q291 HydrophobicContact CB-CB 4.24Å
287	P	97.3	Very high	95.4	Very high	23 Å²	23	61.7 Å²	61.7	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	163.5	173.9	32.3	-37.7	0	0	0	111.6	T248 S289 H290 Q291 H323 L324	T248-P287 HydrophobicContact CG2-CB 4.46Å; T248-P287 HydrophobicContact CG2-CG 4.47Å; P287-S289 PolarHBondContact O-N 3.4Å; P287-S289 VanDerWaalsContact O-N 3.15Å; P287-H290 HydrophobicContact CG-CB 4.11Å; P287-H290 CarbonylContact O-C 3.57Å; P287-H290 PolarHBondContact O-N 3.44Å; P287-Q291 WeakPolarHBondContact O-CB 3.43Å; P287-Q291 PolarHBondContact O-N 2.8Å; P287-H323 VanDerWaalsContact CB-O 3.29Å; P287-H323 WeakPolarHBondContact CB-O 3.41Å; P287-L324 CarbonylContact C-O 3.49Å; P287-L324 VanDerWaalsContact CA-O 3.31Å; P287-L324 WeakPolarHBondContact CA-O 3.36Å
288	A	97.4	Very high	95.1	Very high	2 Å²	2	65.9 Å²	65.9	2%	0.017	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.2	-178.5	0	0	0	0	0	113.7	H290 A308 L319 P322 L324 C326	A288-H290 VanDerWaalsContact C-N 3.28Å; A288-H290 PolarHBondContact O-N 2.93Å; A288-A308 PolarHBondContact O-N 3.07Å; A288-A308 VanDerWaalsContact O-N 3.07Å; A288-L319 HydrophobicContact CB-CD1 3.98Å; A288-P322 PolarHBondContact N-O 3.24Å; A288-L324 PolarHBondContact N-O 2.85Å; A288-C326 VanDerWaalsContact CA-SG 3.59Å; A288-C326 VanDerWaalsContact CB-SG 3.58Å
289	S	96.9	Very high	94.6	Very high	42 Å²	42	68.1 Å²	68.1	29%	0.294	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.9	173.5	49.9	0	0	0	0	114.6	P287 P322	P287-S289 PolarHBondContact O-N 3.4Å; P287-S289 VanDerWaalsContact O-N 3.15Å; S289-P322 WeakPolarHBondContact CB-O 3.48Å; S289-P322 PolarHBondContact N-O 3.18Å; S289-P322 PolarHBondContact OG-O 2.78Å; S289-P322 VanDerWaalsContact OG-O 3.1Å
290	H	97.4	Very high	94.1	Very high	123 Å²	123	63.4 Å²	63.4	57%	0.569	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-10.3	-174.1	-64.9	77	0	0	0	113.7	R286 P287 A288 T292	R286-H290 HydrophobicContact CB-CB 4.5Å; P287-H290 HydrophobicContact CG-CB 4.11Å; P287-H290 CarbonylContact O-C 3.57Å; P287-H290 PolarHBondContact O-N 3.44Å; A288-H290 VanDerWaalsContact C-N 3.28Å; A288-H290 PolarHBondContact O-N 2.93Å; H290-T292 PolarHBondContact O-N 3.03Å
291	Q	97.9	Very high	93.7	Very high	23 Å²	23	69.3 Å²	69.3	11%	0.107	35%	0.352	C	S	.	.			trans	-73.4	119.9	174.6	179	60.1	57.6	0	0	108.5	T284 R286 P287 T306 V307 Y337	T284-Q291 HydrophobicContact CG2-CG 4.04Å; R286-Q291 HydrophobicContact CB-CB 4.24Å; P287-Q291 WeakPolarHBondContact O-CB 3.43Å; P287-Q291 PolarHBondContact O-N 2.8Å; Q291-T306 CarbonylContact O-C 3.59Å; Q291-T306 VanDerWaalsContact O-CA 3.28Å; Q291-T306 WeakPolarHBondContact O-CA 3.44Å; Q291-V307 HydrophobicContact CB-CG2 4.15Å; Q291-V307 HydrophobicContact CG-CG2 3.96Å; Q291-V307 PolarHBondContact O-N 3.43Å; Q291-Y337 HydrophobicContact CG-CD2 4.03Å; Q291-Y337 HydrophobicContact CG-CE2 4.26Å; Q291-Y337 HydrophobicContact CG-CG 4.2Å
292	T	97.5	Very high	93.5	Very high	39 Å²	39	72.8 Å²	72.8	24%	0.239	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163.7	179.1	63.1	0	0	0	0	111.9	H290 E304 C305 T306	H290-T292 PolarHBondContact O-N 3.03Å; T292-E304 WeakPolarHBondContact CB-OE2 3.49Å; T292-E304 PolarHBondContact OG1-OE2 3.23Å; T292-C305 CarbonylContact C-O 3.59Å; T292-C305 VanDerWaalsContact CA-O 3.26Å; T292-C305 WeakPolarHBondContact CA-O 3.33Å; T292-T306 HydrophobicContact CG2-CG2 3.86Å
293	F	96.8	Very high	93.3	Very high	29 Å²	29	72.1 Å²	72.1	13%	0.127	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.9	167.3	64.4	-81.3	0	0	0	109.8	L295 C305 V307 Y310 H335 Y337	F293-L295 HydrophobicContact CD2-CB 4.49Å; F293-L295 HydrophobicContact CE2-CB 4.01Å; F293-L295 HydrophobicContact CE2-CD1 4.05Å; F293-L295 PolarHBondContact O-N 2.88Å; F293-C305 WeakPolarHBondContact CD1-O 3.2Å; F293-C305 PolarHBondContact N-O 2.97Å; F293-C305 PolarHBondContact O-N 3.21Å; F293-V307 HydrophobicContact CD1-CG2 4.22Å; F293-V307 HydrophobicContact CE1-CG2 4.38Å; F293-Y310 HydrophobicContact CE1-CD1 4.49Å; F293-Y310 HydrophobicContact CE1-CG 4.17Å; F293-Y310 HydrophobicContact CZ-CD1 4.02Å; F293-Y310 AromaticContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CE2 4.36Å; F293-Y310 AromaticContact CZ-CG 3.61Å; F293-Y310 HydrophobicContact CZ-CG 3.61Å; F293-H335 HydrophobicContact CB-CB 4.07Å; F293-Y337 HydrophobicContact CB-CD2 4.13Å; F293-Y337 HydrophobicContact CB-CE2 3.98Å; F293-Y337 HydrophobicContact CD1-CD2 4.46Å
294	P	95.4	Very high	93.1	Very high	50 Å²	50	77.3 Å²	77.3	33%	0.325	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.5	175.4	27.1	-34	0	0	0	109.9	T302	P294-T302 HydrophobicContact CB-CG2 3.67Å
295	L	92.8	Very high	93	Very high	37 Å²	37	77.2 Å²	77.2	19%	0.194	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.3	176.9	178.8	68.9	0	0	0	109.3	F293 L297 T302 V303 C305 Y310	F293-L295 HydrophobicContact CD2-CB 4.49Å; F293-L295 HydrophobicContact CE2-CB 4.01Å; F293-L295 HydrophobicContact CE2-CD1 4.05Å; F293-L295 PolarHBondContact O-N 2.88Å; L295-L297 HydrophobicContact CD2-CD2 4.34Å; L295-T302 WeakPolarHBondContact O-CA 3.45Å; L295-V303 HydrophobicContact CB-CG2 4.5Å; L295-V303 PolarHBondContact N-O 2.6Å; L295-V303 PolarHBondContact O-N 2.59Å; L295-C305 HydrophobicContact CB-CB 3.92Å; L295-C305 HydrophobicContact CD2-CB 3.91Å; L295-Y310 HydrophobicContact CD1-CD2 4.25Å; L295-Y310 HydrophobicContact CD1-CE2 4.04Å; L295-Y310 HydrophobicContact CD2-CD2 4.05Å
296	Q	90.3	Very high	93.1	Very high	139 Å²	139	69.8 Å²	69.8	65%	0.65	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	122.9	172.4	-164.7	173	18.3	0	0	109.7	G300	Q296-G300 PolarHBondContact NE2-O 3.05Å
297	L	87.5	Confident	93.2	Very high	68 Å²	68	63 Å²	63	36%	0.356	34%	0.343	S	S	.	.			trans	-80.7	165.6	175.4	-58.6	179.8	0	0	0	110.7	L295 S299 G300 Q301 V303	L295-L297 HydrophobicContact CD2-CD2 4.34Å; L297-S299 PolarHBondContact O-N 3.48Å; L297-G300 PolarHBondContact O-N 3.25Å; L297-Q301 PolarHBondContact N-O 2.84Å; L297-V303 HydrophobicContact CD1-CG1 3.81Å; L297-V303 HydrophobicContact CD1-CG2 3.99Å; L297-V303 HydrophobicContact CD2-CG2 3.91Å; L297-V303 HydrophobicContact CG-CG1 4.36Å; L297-V303 HydrophobicContact CG-CG2 3.88Å
298	E	84.1	Confident	93.2	Very high	209 Å²	209	63 Å²	63	98%	0.977	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.1	176.1	-67.5	-178.7	176.5	0	0	112.8	G300	E298-G300 PolarHBondContact O-N 2.79Å
299	S	83.9	Confident	93.2	Very high	94 Å²	94	67.7 Å²	67.7	66%	0.657	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.7	172.3	61.8	0	0	0	0	114.3	L297 Q301	L297-S299 PolarHBondContact O-N 3.48Å; S299-Q301 PolarHBondContact O-N 2.79Å
300	G	85.1	Confident	93.2	Very high	41 Å²	41	68.2 Å²	68.2	42%	0.423	36%	0.362	S	S	.	.	S	Bend	trans	82.3	-12.4	-174	0	0	0	0	0	114.4	Q296 L297 E298	Q296-G300 PolarHBondContact NE2-O 3.05Å; L297-G300 PolarHBondContact O-N 3.25Å; E298-G300 PolarHBondContact O-N 2.79Å
301	Q	89.1	Confident	93.2	Very high	126 Å²	126	62.5 Å²	62.5	59%	0.589	34%	0.336	S	S	*	.			trans	-71.2	138	177.3	-169.4	178.7	16.1	0	0	111.3	L297 S299 V303	L297-Q301 PolarHBondContact N-O 2.84Å; S299-Q301 PolarHBondContact O-N 2.79Å; Q301-V303 HydrophobicContact CG-CG1 4.41Å
302	T	90.6	Very high	93.1	Very high	84 Å²	84	67.3 Å²	67.3	52%	0.515	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.9	172.6	-59	0	0	0	0	110.1	P294 L295	P294-T302 HydrophobicContact CB-CG2 3.67Å; L295-T302 WeakPolarHBondContact O-CA 3.45Å
303	V	92.1	Very high	92.9	Very high	48 Å²	48	72.6 Å²	72.6	29%	0.291	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.1	177.6	-61.2	0	0	0	0	110.6	L295 L297 Q301 C305	L295-V303 HydrophobicContact CB-CG2 4.5Å; L295-V303 PolarHBondContact N-O 2.6Å; L295-V303 PolarHBondContact O-N 2.59Å; L297-V303 HydrophobicContact CD1-CG1 3.81Å; L297-V303 HydrophobicContact CD1-CG2 3.99Å; L297-V303 HydrophobicContact CD2-CG2 3.91Å; L297-V303 HydrophobicContact CG-CG1 4.36Å; L297-V303 HydrophobicContact CG-CG2 3.88Å; Q301-V303 HydrophobicContact CG-CG1 4.41Å; V303-C305 PolarHBondContact O-N 3.38Å
304	E	94.4	Very high	92.7	Very high	116 Å²	116	77.9 Å²	77.9	54%	0.542	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	108.5	169.9	-78.7	-68.2	133.2	0	0	109	T292	T292-E304 WeakPolarHBondContact CB-OE2 3.49Å; T292-E304 PolarHBondContact OG1-OE2 3.23Å
305	C	95.6	Very high	92.6	Very high	8 Å²	8	79.6 Å²	79.6	5%	0.054	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.9	179.2	-171.5	0	0	0	0	109.8	T292 F293 L295 V303	T292-C305 CarbonylContact C-O 3.59Å; T292-C305 VanDerWaalsContact CA-O 3.26Å; T292-C305 WeakPolarHBondContact CA-O 3.33Å; F293-C305 WeakPolarHBondContact CD1-O 3.2Å; F293-C305 PolarHBondContact N-O 2.97Å; F293-C305 PolarHBondContact O-N 3.21Å; L295-C305 HydrophobicContact CB-CB 3.92Å; L295-C305 HydrophobicContact CD2-CB 3.91Å; V303-C305 PolarHBondContact O-N 3.38Å
306	T	97.8	Very high	92.7	Very high	21 Å²	21	84.9 Å²	84.9	13%	0.129	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	151.3	172	65.4	0	0	0	0	110.9	Q291 T292 A308 Q309 Y310	Q291-T306 CarbonylContact O-C 3.59Å; Q291-T306 VanDerWaalsContact O-CA 3.28Å; Q291-T306 WeakPolarHBondContact O-CA 3.44Å; T292-T306 HydrophobicContact CG2-CG2 3.86Å; T306-A308 VanDerWaalsContact C-N 3.28Å; T306-A308 PolarHBondContact O-N 3.06Å; T306-Q309 PolarHBondContact O-N 3.32Å; T306-Q309 VanDerWaalsContact OG1-CB 3.26Å; T306-Q309 WeakPolarHBondContact OG1-CB 3.39Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.44Å; T306-Q309 PolarHBondContact OG1-N 3.33Å; T306-Q309 VanDerWaalsContact OG1-N 3.16Å; T306-Q309 PolarHBondContact OG1-OE1 2.85Å; T306-Y310 WeakPolarHBondContact O-CB 3.38Å; T306-Y310 PolarHBondContact O-N 3.21Å
307	V	98	Very high	92.9	Very high	1 Å²	1	80.3 Å²	80.3	1%	0.006	41%	0.411	C	S	.	.	H	α-helix	trans	-57.4	-43.9	175.5	177.2	0	0	0	0	110.8	Q291 F293 Y310 F311 Y337 P339	Q291-V307 HydrophobicContact CB-CG2 4.15Å; Q291-V307 HydrophobicContact CG-CG2 3.96Å; Q291-V307 PolarHBondContact O-N 3.43Å; F293-V307 HydrophobicContact CD1-CG2 4.22Å; F293-V307 HydrophobicContact CE1-CG2 4.38Å; V307-Y310 PolarHBondContact O-N 3.26Å; V307-F311 HydrophobicContact CG1-CD2 3.93Å; V307-F311 HydrophobicContact CG1-CE2 4.03Å; V307-F311 WeakPolarHBondContact O-CD2 3.38Å; V307-F311 PolarHBondContact O-N 3.21Å; V307-F311 VanDerWaalsContact O-N 3.09Å; V307-Y337 HydrophobicContact CG2-CD2 4.25Å; V307-Y337 HydrophobicContact CG2-CG 4.38Å; V307-P339 HydrophobicContact CG1-CG 3.66Å
308	A	97.4	Very high	93.3	Very high	22 Å²	22	84.4 Å²	84.4	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-44.5	178.6	0	0	0	0	0	113.2	A288 T306 F311 K312 L319	A288-A308 PolarHBondContact O-N 3.07Å; A288-A308 VanDerWaalsContact O-N 3.07Å; T306-A308 VanDerWaalsContact C-N 3.28Å; T306-A308 PolarHBondContact O-N 3.06Å; A308-F311 PolarHBondContact O-N 3Å; A308-K312 PolarHBondContact O-N 2.76Å; A308-K312 VanDerWaalsContact O-N 3.13Å; A308-L319 HydrophobicContact CB-CD1 3.94Å
309	Q	96.8	Very high	93.9	Very high	101 Å²	101	75.3 Å²	75.3	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-43.3	177.5	-74.3	162.7	-25.7	0	0	111.5	T306 F311 K312 Q313	T306-Q309 PolarHBondContact O-N 3.32Å; T306-Q309 VanDerWaalsContact OG1-CB 3.26Å; T306-Q309 WeakPolarHBondContact OG1-CB 3.39Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.44Å; T306-Q309 PolarHBondContact OG1-N 3.33Å; T306-Q309 VanDerWaalsContact OG1-N 3.16Å; T306-Q309 PolarHBondContact OG1-OE1 2.85Å; Q309-F311 PolarHBondContact O-N 3.37Å; Q309-K312 PolarHBondContact O-N 2.86Å; Q309-Q313 WeakPolarHBondContact O-CB 3.26Å; Q309-Q313 WeakPolarHBondContact O-CG 3.49Å; Q309-Q313 PolarHBondContact O-N 2.96Å
310	Y	96.9	Very high	94.4	Very high	53 Å²	53	78.9 Å²	78.9	21%	0.208	39%	0.389	C	S	.	.	H	α-helix	trans	-58.2	-46.6	178.1	174.8	-105	0	0	0	111.9	F293 L295 T306 V307 K312 Q313 K314 Y315	F293-Y310 HydrophobicContact CE1-CD1 4.49Å; F293-Y310 HydrophobicContact CE1-CG 4.17Å; F293-Y310 HydrophobicContact CZ-CD1 4.02Å; F293-Y310 AromaticContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CD2 3.81Å; F293-Y310 HydrophobicContact CZ-CE2 4.36Å; F293-Y310 AromaticContact CZ-CG 3.61Å; F293-Y310 HydrophobicContact CZ-CG 3.61Å; L295-Y310 HydrophobicContact CD1-CD2 4.25Å; L295-Y310 HydrophobicContact CD1-CE2 4.04Å; L295-Y310 HydrophobicContact CD2-CD2 4.05Å; T306-Y310 WeakPolarHBondContact O-CB 3.38Å; T306-Y310 PolarHBondContact O-N 3.21Å; V307-Y310 PolarHBondContact O-N 3.26Å; Y310-K312 PolarHBondContact O-N 3.39Å; Y310-Q313 PolarHBondContact O-N 2.75Å; Y310-K314 HydrophobicContact CD2-CB 4.28Å; Y310-K314 HydrophobicContact CE2-CB 3.97Å; Y310-K314 HydrophobicContact CE2-CG 4.12Å; Y310-K314 VanDerWaalsContact O-CB 3.24Å; Y310-K314 WeakPolarHBondContact O-CB 3.28Å; Y310-K314 PolarHBondContact O-N 2.85Å; Y310-Y315 HydrophobicContact CD1-CE2 4.43Å; Y310-Y315 AromaticContact CE1-CE2 3.68Å; Y310-Y315 HydrophobicContact CE1-CE2 3.68Å
311	F	97.1	Very high	94.9	Very high	4 Å²	4	79 Å²	79	2%	0.018	38%	0.377	C	S	.	.	H	α-helix	trans	-66.4	-36.7	179.1	-88.8	-99.9	0	0	0	112.8	H270 V307 A308 Q309 Y315 N316 L317 P339 V342	H270-F311 AromaticContact CD2-CE1 3.69Å; H270-F311 AromaticContact CE1-CE1 3.79Å; H270-F311 AromaticContact CE1-CZ 3.97Å; H270-F311 AromaticContact CG-CE1 3.81Å; H270-F311 AromaticContact ND1-CE1 3.86Å; H270-F311 AromaticContact NE2-CE1 3.68Å; H270-F311 AromaticContact NE2-CZ 3.93Å; V307-F311 HydrophobicContact CG1-CD2 3.93Å; V307-F311 HydrophobicContact CG1-CE2 4.03Å; V307-F311 WeakPolarHBondContact O-CD2 3.38Å; V307-F311 PolarHBondContact O-N 3.21Å; V307-F311 VanDerWaalsContact O-N 3.09Å; A308-F311 PolarHBondContact O-N 3Å; Q309-F311 PolarHBondContact O-N 3.37Å; F311-Y315 AromaticContact CD1-CD2 3.82Å; F311-Y315 HydrophobicContact CD1-CD2 3.82Å; F311-Y315 HydrophobicContact CD1-CE2 4.41Å; F311-Y315 HydrophobicContact CE1-CD2 4.06Å; F311-Y315 HydrophobicContact CE1-CE2 4.27Å; F311-Y315 HydrophobicContact CG-CD2 4.24Å; F311-Y315 PolarHBondContact O-N 3.5Å; F311-N316 PolarHBondContact O-N 3.41Å; F311-L317 CarbonylContact C-O 3.56Å; F311-L317 PolarHBondContact O-N 3.2Å; F311-L317 VanDerWaalsContact O-N 3.15Å; F311-P339 HydrophobicContact CD1-CG 4.47Å; F311-P339 HydrophobicContact CD2-CG 3.94Å; F311-P339 HydrophobicContact CE1-CG 4.38Å; F311-P339 HydrophobicContact CE2-CG 3.84Å; F311-P339 HydrophobicContact CG-CG 4.26Å; F311-P339 VanDerWaalsContact CZ-CD 3.46Å; F311-P339 HydrophobicContact CZ-CG 4.07Å; F311-V342 HydrophobicContact CD1-CG1 4.46Å; F311-V342 HydrophobicContact CE1-CG1 4.17Å; F311-V342 HydrophobicContact CE1-CG2 3.94Å; F311-V342 HydrophobicContact CZ-CG2 4.17Å
312	K	96.2	Very high	95.3	Very high	124 Å²	124	75 Å²	75	54%	0.539	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-44.1	174.2	-171.9	173.7	-178.4	177.1	0	111.9	A308 Q309 Y310 N316 L317	A308-K312 PolarHBondContact O-N 2.76Å; A308-K312 VanDerWaalsContact O-N 3.13Å; Q309-K312 PolarHBondContact O-N 2.86Å; Y310-K312 PolarHBondContact O-N 3.39Å; K312-N316 VanDerWaalsContact O-CA 3.23Å; K312-N316 WeakPolarHBondContact O-CA 3.4Å; K312-N316 PolarHBondContact O-N 2.88Å; K312-L317 WeakPolarHBondContact CA-O 3.48Å; K312-L317 PolarHBondContact N-O 3.16Å
313	Q	93.3	Very high	95.5	Very high	150 Å²	150	72.7 Å²	72.7	70%	0.701	35%	0.346	S	S	*	.	H	α-helix	trans	-77.4	-46.2	-177.5	-70.4	176	-8	0	0	113	Q309 Y310	Q309-Q313 WeakPolarHBondContact O-CB 3.26Å; Q309-Q313 WeakPolarHBondContact O-CG 3.49Å; Q309-Q313 PolarHBondContact O-N 2.96Å; Y310-Q313 PolarHBondContact O-N 2.75Å
314	K	92.8	Very high	95.7	Very high	140 Å²	140	70.6 Å²	70.6	61%	0.609	33%	0.333	S	S	*	.	H	α-helix	trans	-81.1	-35.7	-172.2	-174.2	60.8	177.5	179.6	0	113.5	Y310	Y310-K314 HydrophobicContact CD2-CB 4.28Å; Y310-K314 HydrophobicContact CE2-CB 3.97Å; Y310-K314 HydrophobicContact CE2-CG 4.12Å; Y310-K314 VanDerWaalsContact O-CB 3.24Å; Y310-K314 WeakPolarHBondContact O-CB 3.28Å; Y310-K314 PolarHBondContact O-N 2.85Å
315	Y	93.1	Very high	95.8	Very high	85 Å²	85	65.4 Å²	65.4	33%	0.333	31%	0.309	S	S	.	.	H	α-helix	trans	-119.1	5	-172.9	-57.2	-69.8	0	0	0	113.3	H270 Y310 F311 L317	H270-Y315 AromaticContact CD2-CD1 3.97Å; H270-Y315 AromaticContact CD2-CD2 3.86Å; H270-Y315 AromaticContact CD2-CE1 3.89Å; H270-Y315 AromaticContact CD2-CE2 3.78Å; H270-Y315 AromaticContact CD2-CG 3.97Å; H270-Y315 AromaticContact CD2-CZ 3.81Å; H270-Y315 AromaticContact NE2-CE2 3.88Å; H270-Y315 AromaticContact NE2-CZ 3.86Å; Y310-Y315 HydrophobicContact CD1-CE2 4.43Å; Y310-Y315 AromaticContact CE1-CE2 3.68Å; Y310-Y315 HydrophobicContact CE1-CE2 3.68Å; F311-Y315 AromaticContact CD1-CD2 3.82Å; F311-Y315 HydrophobicContact CD1-CD2 3.82Å; F311-Y315 HydrophobicContact CD1-CE2 4.41Å; F311-Y315 HydrophobicContact CE1-CD2 4.06Å; F311-Y315 HydrophobicContact CE1-CE2 4.27Å; F311-Y315 HydrophobicContact CG-CD2 4.24Å; F311-Y315 PolarHBondContact O-N 3.5Å; Y315-L317 PolarHBondContact O-N 3.23Å; Y315-L317 VanDerWaalsContact O-N 3.17Å
316	N	94.3	Very high	95.9	Very high	149 Å²	149	65 Å²	65	80%	0.797	31%	0.307	S	S	*	.			trans	50.3	36.5	-173.4	-162	29.6	0	0	0	113	F311 K312	F311-N316 PolarHBondContact O-N 3.41Å; K312-N316 VanDerWaalsContact O-CA 3.23Å; K312-N316 WeakPolarHBondContact O-CA 3.4Å; K312-N316 PolarHBondContact O-N 2.88Å
317	L	94.9	Very high	96	Very high	43 Å²	43	64 Å²	64	23%	0.225	30%	0.3	C	S	.	.			trans	-112.5	107.1	-172.5	-165	158.2	0	0	0	109.9	H270 F311 K312 Y315 L319 V342	H270-L317 HydrophobicContact CB-CD1 3.85Å; F311-L317 CarbonylContact C-O 3.56Å; F311-L317 PolarHBondContact O-N 3.2Å; F311-L317 VanDerWaalsContact O-N 3.15Å; K312-L317 WeakPolarHBondContact CA-O 3.48Å; K312-L317 PolarHBondContact N-O 3.16Å; Y315-L317 PolarHBondContact O-N 3.23Å; Y315-L317 VanDerWaalsContact O-N 3.17Å; L317-L319 HydrophobicContact CD2-CD2 3.62Å; L317-L319 HydrophobicContact CD2-CG 4.49Å; L317-V342 HydrophobicContact CD1-CG1 4.02Å; L317-V342 HydrophobicContact CD2-CG1 4.33Å
318	Q	96.8	Very high	96	Very high	154 Å²	154	65 Å²	65	72%	0.72	31%	0.305	S	S	*	.			trans	-80.8	117.5	172.1	-179.6	168.7	-6.3	0	0	110
319	L	96.2	Very high	95.9	Very high	17 Å²	17	64 Å²	64	9%	0.089	30%	0.297	C	S	.	.			trans	-67.5	134.9	-178.4	-61.6	177.8	0	0	0	111.6	A288 A308 L317 P322 P339 E341	A288-L319 HydrophobicContact CB-CD1 3.98Å; A308-L319 HydrophobicContact CB-CD1 3.94Å; L317-L319 HydrophobicContact CD2-CD2 3.62Å; L317-L319 HydrophobicContact CD2-CG 4.49Å; L319-P322 HydrophobicContact CB-CB 4.3Å; L319-P339 HydrophobicContact CD1-CB 4.18Å; L319-P339 HydrophobicContact CD1-CG 3.94Å; L319-P339 HydrophobicContact CD2-CB 3.81Å; L319-P339 HydrophobicContact CD2-CG 3.83Å; L319-E341 WeakPolarHBondContact CA-OE1 3.06Å; L319-E341 HydrophobicContact CD2-CG 3.99Å; L319-E341 WeakPolarHBondContact CD2-OE1 3.49Å
320	K	95	Very high	95.7	Very high	169 Å²	169	61.5 Å²	61.5	74%	0.735	30%	0.298	S	S	*	.	S	Bend	trans	-77.2	-36.7	174.4	-66.6	-174.3	179.6	-175.6	0	111.9	P322 E341	K320-P322 WeakPolarHBondContact O-CD 3.45Å; K320-E341 PolarHBondContact N-OE1 3.09Å; K320-E341 PolarHBondContact N-OE2 3.48Å; K320-E341 VanDerWaalsContact N-OE2 3.16Å
321	Y	95.3	Very high	95.2	Very high	43 Å²	43	64.2 Å²	64.2	17%	0.169	31%	0.312	C	S	.	.			trans	-119.2	56.9	-175.5	-51.3	-73.9	0	0	0	112.6	I230 I242 D243 H323 L324 E341	I230-Y321 HydrophobicContact CD1-CD2 4.11Å; I230-Y321 HydrophobicContact CG1-CD2 4.47Å; I242-Y321 HydrophobicContact CG1-CD1 4.26Å; I242-Y321 HydrophobicContact CG1-CE1 4.11Å; I242-Y321 HydrophobicContact CG2-CE1 3.77Å; D243-Y321 VanDerWaalsContact OD1-CE1 3.23Å; D243-Y321 WeakPolarHBondContact OD1-CE1 3.4Å; D243-Y321 PolarHBondContact OD1-OH 3.5Å; Y321-H323 AromaticContact CD1-CE1 3.98Å; Y321-H323 PolarHBondContact O-N 3.49Å; Y321-H323 VanDerWaalsContact O-N 3.1Å; Y321-L324 HydrophobicContact CG-CD1 4.13Å; Y321-L324 PolarHBondContact O-N 3.27Å; Y321-E341 WeakPolarHBondContact CB-OE2 3.49Å; Y321-E341 HydrophobicContact CD2-CB 4.22Å; Y321-E341 WeakPolarHBondContact CD2-OE2 3.47Å; Y321-E341 PolarHBondContact N-OE2 2.78Å
322	P	96.1	Very high	94.8	Very high	43 Å²	43	68.8 Å²	68.8	28%	0.279	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.5	-176.5	30.5	-37	0	0	0	113.6	A288 S289 L319 K320 L324	A288-P322 PolarHBondContact N-O 3.24Å; S289-P322 WeakPolarHBondContact CB-O 3.48Å; S289-P322 PolarHBondContact N-O 3.18Å; S289-P322 PolarHBondContact OG-O 2.78Å; S289-P322 VanDerWaalsContact OG-O 3.1Å; L319-P322 HydrophobicContact CB-CB 4.3Å; K320-P322 WeakPolarHBondContact O-CD 3.45Å; P322-L324 VanDerWaalsContact C-N 3.34Å
323	H	94.5	Very high	94.4	Very high	36 Å²	36	70.7 Å²	70.7	17%	0.167	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.4	175.2	60	-88	0	0	0	113.4	K247 T248 P287 Y321	K247-H323 PolarHBondContact O-CD2 3.16Å; T248-H323 WeakPolarHBondContact CG2-O 3.4Å; P287-H323 VanDerWaalsContact CB-O 3.29Å; P287-H323 WeakPolarHBondContact CB-O 3.41Å; Y321-H323 AromaticContact CD1-CE1 3.98Å; Y321-H323 PolarHBondContact O-N 3.49Å; Y321-H323 VanDerWaalsContact O-N 3.1Å
324	L	96.4	Very high	94.4	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.016	33%	0.334	C	S	.	.	S	Bend	trans	-84.8	155.5	174.9	-67.4	-178.2	0	0	0	111.5	I230 M233 I242 L249 P287 A288 Y321 P322 L340	I230-L324 HydrophobicContact CD1-CD1 3.56Å; M233-L324 HydrophobicContact CE-CD1 3.85Å; M233-L324 HydrophobicContact CE-CD2 4.13Å; M233-L324 HydrophobicContact SD-CD2 4.42Å; I242-L324 HydrophobicContact CD1-CD1 4.4Å; I242-L324 HydrophobicContact CG1-CD1 4.5Å; L249-L324 HydrophobicContact CD2-CD2 4.28Å; L249-L324 HydrophobicContact CG-CD2 4.26Å; P287-L324 CarbonylContact C-O 3.49Å; P287-L324 VanDerWaalsContact CA-O 3.31Å; P287-L324 WeakPolarHBondContact CA-O 3.36Å; A288-L324 PolarHBondContact N-O 2.85Å; Y321-L324 HydrophobicContact CG-CD1 4.13Å; Y321-L324 PolarHBondContact O-N 3.27Å; P322-L324 VanDerWaalsContact C-N 3.34Å; L324-L340 HydrophobicContact CB-CD1 4.16Å; L324-L340 HydrophobicContact CD1-CD1 4.21Å
325	P	97.6	Very high	94.4	Very high	7 Å²	7	66.7 Å²	66.7	5%	0.045	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	172.4	176.9	30.9	-36.9	0	0	0	112.4	L249 V283 T284 L340	L249-P325 HydrophobicContact CD1-CG 4.02Å; V283-P325 HydrophobicContact CG1-CB 3.74Å; V283-P325 HydrophobicContact CG1-CG 3.75Å; T284-P325 VanDerWaalsContact O-CB 3.27Å; T284-P325 WeakPolarHBondContact O-CB 3.25Å; P325-L340 HydrophobicContact CG-CD1 4.49Å; P325-L340 WeakPolarHBondContact O-CD2 3.23Å; P325-L340 VanDerWaalsContact O-CG 3.28Å; P325-L340 WeakPolarHBondContact O-CG 3.21Å
326	C	98.4	Very high	94.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	155.2	172.6	-57	0	0	0	0	111.2	V283 T284 A288 L338	V283-C326 WeakPolarHBondContact CA-O 3.45Å; T284-C326 HydrophobicContact CG2-CB 3.99Å; T284-C326 PolarHBondContact N-O 2.82Å; T284-C326 PolarHBondContact OG1-N 2.8Å; T284-C326 PolarHBondContact OG1-O 3.49Å; A288-C326 VanDerWaalsContact CA-SG 3.59Å; A288-C326 VanDerWaalsContact CB-SG 3.58Å; C326-L338 CarbonylContact C-O 3.53Å; C326-L338 WeakPolarHBondContact CA-O 3.48Å; C326-L338 WeakPolarHBondContact CB-O 3.24Å
327	L	98.4	Very high	94.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.1	163.9	-55.2	-177	0	0	0	109	V229 F257 I261 V266 V280 V283 V329 Y337 L338 L340 C343	V229-L327 HydrophobicContact CG1-CD1 4.22Å; V229-L327 HydrophobicContact CG2-CD1 4.25Å; F257-L327 HydrophobicContact CE1-CD2 4.2Å; F257-L327 HydrophobicContact CZ-CD2 4.23Å; I261-L327 HydrophobicContact CD1-CD1 4.11Å; I261-L327 HydrophobicContact CD1-CD2 3.82Å; I261-L327 HydrophobicContact CG2-CD2 4.34Å; V266-L327 HydrophobicContact CG1-CD1 4Å; V266-L327 HydrophobicContact CG2-CD1 4.18Å; V280-L327 HydrophobicContact CG1-CB 4.36Å; V280-L327 HydrophobicContact CG1-CD2 4.24Å; V280-L327 HydrophobicContact CG2-CB 4.44Å; V280-L327 HydrophobicContact CG2-CD1 3.88Å; V283-L327 HydrophobicContact CG2-CD2 4.12Å; L327-V329 HydrophobicContact CB-CG1 4.19Å; L327-Y337 CarbonylContact O-C 3.58Å; L327-Y337 WeakPolarHBondContact O-CA 3.41Å; L327-L338 PolarHBondContact N-O 3.23Å; L327-L338 PolarHBondContact O-N 3.16Å; L327-L340 HydrophobicContact CD1-CD2 4.48Å; L327-L340 HydrophobicContact CD2-CD2 3.52Å; L327-L340 HydrophobicContact CG-CD2 3.63Å; L327-C343 HydrophobicContact CD1-CB 4.22Å
328	Q	98.1	Very high	94.9	Very high	23 Å²	23	58.8 Å²	58.8	11%	0.107	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.3	163.9	-167.8	-174.5	6.8	0	0	108.4	C281 N282 E332 K334 T336 Y337	C281-Q328 PolarHBondContact N-O 2.83Å; C281-Q328 VanDerWaalsContact SG-C 3.56Å; C281-Q328 PolarHBondContact SG-O 2.87Å; N282-Q328 HydrophobicContact CB-CB 3.93Å; N282-Q328 VanDerWaalsContact CB-OE1 3.31Å; N282-Q328 PolarHBondContact N-O 2.85Å; N282-Q328 PolarHBondContact O-N 3.12Å; Q328-E332 PolarHBondContact NE2-O 2.71Å; Q328-K334 PolarHBondContact NE2-O 3.3Å; Q328-T336 WeakPolarHBondContact CA-O 3.24Å; Q328-Y337 HydrophobicContact CB-CD1 4.02Å; Q328-Y337 HydrophobicContact CB-CE1 4.02Å; Q328-Y337 HydrophobicContact CG-CD1 4.03Å; Q328-Y337 HydrophobicContact CG-CE1 3.73Å
329	V	96.5	Very high	95	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.5	-174.4	-61.6	0	0	0	0	113.2	V266 Y278 R279 V280 L327 T336 L338	V266-V329 HydrophobicContact CG2-CG1 4.32Å; Y278-V329 HydrophobicContact CD1-CB 4.28Å; Y278-V329 HydrophobicContact CD1-CG2 3.73Å; Y278-V329 HydrophobicContact CE1-CG2 4.32Å; Y278-V329 HydrophobicContact CG-CB 4.24Å; Y278-V329 HydrophobicContact CG-CG2 3.88Å; R279-V329 WeakPolarHBondContact O-CA 3.45Å; V280-V329 HydrophobicContact CG2-CG1 4.23Å; L327-V329 HydrophobicContact CB-CG1 4.19Å; V329-T336 HydrophobicContact CG2-CG2 3.64Å; V329-T336 PolarHBondContact N-O 2.81Å; V329-L338 HydrophobicContact CG1-CD1 3.97Å; V329-L338 HydrophobicContact CG2-CD1 3.85Å; V329-L338 HydrophobicContact CG2-CG 4.08Å
330	G	91.2	Very high	95.1	Very high	48 Å²	48	51 Å²	51	50%	0.495	25%	0.252	S	S	.	.	S	Bend	trans	81.4	-130.1	179.6	0	0	0	0	0	112.3	R279	R279-G330 PolarHBondContact O-N 2.86Å; R279-G330 VanDerWaalsContact O-N 3.09Å
331	Q	87.7	Confident	95.1	Very high	111 Å²	111	45.2 Å²	45.2	52%	0.519	23%	0.228	S	C	.	.			trans	-78.7	127.5	179.4	-69.3	177.1	-8.3	0	0	109.8	Q333 K334	Q331-Q333 PolarHBondContact O-N 3.17Å; Q331-K334 HydrophobicContact CB-CB 4.3Å; Q331-K334 HydrophobicContact CB-CD 4.29Å; Q331-K334 HydrophobicContact CB-CG 4.1Å; Q331-K334 PolarHBondContact O-N 3.4Å
332	E	87.6	Confident	95.2	Very high	100 Å²	100	43.3 Å²	43.3	47%	0.467	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.5	-179.7	-74.8	-174.4	171.9	0	0	112.9	K262 C281 Q328 K334	K262-E332 IonicContact NZ-OE1 3.58Å; K262-E332 PolarHBondContact NZ-OE1 3.31Å; C281-E332 HydrophobicContact CB-CG 3.43Å; C281-E332 VanDerWaalsContact CB-CG 3.43Å; Q328-E332 PolarHBondContact NE2-O 2.71Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 3.33Å
333	Q	89.3	Confident	95.3	Very high	163 Å²	163	41.3 Å²	41.3	76%	0.762	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.9	176.7	-55.7	83.5	-0.8	0	0	113.2	Q331	Q331-Q333 PolarHBondContact O-N 3.17Å
334	K	92.5	Very high	95.4	Very high	113 Å²	113	41.7 Å²	41.7	49%	0.491	21%	0.211	S	C	.	.	S	Bend	trans	-101.2	161.8	179.3	-68.2	-171	173.1	-179.4	0	111.2	Q328 Q331 E332	Q328-K334 PolarHBondContact NE2-O 3.3Å; Q331-K334 HydrophobicContact CB-CB 4.3Å; Q331-K334 HydrophobicContact CB-CD 4.29Å; Q331-K334 HydrophobicContact CB-CG 4.1Å; Q331-K334 PolarHBondContact O-N 3.4Å; E332-K334 VanDerWaalsContact C-N 3.26Å; E332-K334 PolarHBondContact O-N 3.33Å
335	H	93	Very high	95.5	Very high	93 Å²	93	41.7 Å²	41.7	43%	0.431	21%	0.211	S	C	.	.			trans	-107.6	48.8	-171.9	16.8	82.9	0	0	0	111.5	F293 Y337	F293-H335 HydrophobicContact CB-CB 4.07Å; H335-Y337 HydrophobicContact CB-CE2 3.66Å
336	T	96.5	Very high	95.4	Very high	57 Å²	57	41.8 Å²	41.8	35%	0.35	21%	0.212	S	C	.	.			trans	-91.1	107.2	174.1	-51.9	0	0	0	0	109.9	Q328 V329	Q328-T336 WeakPolarHBondContact CA-O 3.24Å; V329-T336 HydrophobicContact CG2-CG2 3.64Å; V329-T336 PolarHBondContact N-O 2.81Å
337	Y	98.1	Very high	95.1	Very high	45 Å²	45	44.5 Å²	44.5	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.5	-177.2	-54	-61.5	0	0	0	111.2	T284 Q291 F293 V307 L327 Q328 H335	T284-Y337 HydrophobicContact CG2-CD1 3.58Å; T284-Y337 HydrophobicContact CG2-CE1 3.73Å; T284-Y337 HydrophobicContact CG2-CG 4.42Å; Q291-Y337 HydrophobicContact CG-CD2 4.03Å; Q291-Y337 HydrophobicContact CG-CE2 4.26Å; Q291-Y337 HydrophobicContact CG-CG 4.2Å; F293-Y337 HydrophobicContact CB-CD2 4.13Å; F293-Y337 HydrophobicContact CB-CE2 3.98Å; F293-Y337 HydrophobicContact CD1-CD2 4.46Å; V307-Y337 HydrophobicContact CG2-CD2 4.25Å; V307-Y337 HydrophobicContact CG2-CG 4.38Å; L327-Y337 CarbonylContact O-C 3.58Å; L327-Y337 WeakPolarHBondContact O-CA 3.41Å; Q328-Y337 HydrophobicContact CB-CD1 4.02Å; Q328-Y337 HydrophobicContact CB-CE1 4.02Å; Q328-Y337 HydrophobicContact CG-CD1 4.03Å; Q328-Y337 HydrophobicContact CG-CE1 3.73Å; H335-Y337 HydrophobicContact CB-CE2 3.66Å
338	L	98.1	Very high	94.9	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.4	177	-59.9	175.8	0	0	0	110.1	V268 Y278 C326 L327 V329 C343	V268-L338 HydrophobicContact CG1-CD1 3.78Å; V268-L338 HydrophobicContact CG1-CD2 4.1Å; Y278-L338 HydrophobicContact CD2-CD1 3.94Å; Y278-L338 HydrophobicContact CE2-CD1 4.34Å; Y278-L338 HydrophobicContact CG-CD1 4.4Å; C326-L338 CarbonylContact C-O 3.53Å; C326-L338 WeakPolarHBondContact CA-O 3.48Å; C326-L338 WeakPolarHBondContact CB-O 3.24Å; L327-L338 PolarHBondContact N-O 3.23Å; L327-L338 PolarHBondContact O-N 3.16Å; V329-L338 HydrophobicContact CG1-CD1 3.97Å; V329-L338 HydrophobicContact CG2-CD1 3.85Å; V329-L338 HydrophobicContact CG2-CG 4.08Å; L338-C343 VanDerWaalsContact CB-SG 3.6Å
339	P	98.2	Very high	94.7	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	146.1	167.2	-23.5	32.8	0	0	0	111.6	V307 F311 L319 E341 V342 C343	V307-P339 HydrophobicContact CG1-CG 3.66Å; F311-P339 HydrophobicContact CD1-CG 4.47Å; F311-P339 HydrophobicContact CD2-CG 3.94Å; F311-P339 HydrophobicContact CE1-CG 4.38Å; F311-P339 HydrophobicContact CE2-CG 3.84Å; F311-P339 HydrophobicContact CG-CG 4.26Å; F311-P339 VanDerWaalsContact CZ-CD 3.46Å; F311-P339 HydrophobicContact CZ-CG 4.07Å; L319-P339 HydrophobicContact CD1-CB 4.18Å; L319-P339 HydrophobicContact CD1-CG 3.94Å; L319-P339 HydrophobicContact CD2-CB 3.81Å; L319-P339 HydrophobicContact CD2-CG 3.83Å; P339-E341 VanDerWaalsContact C-N 3.28Å; P339-E341 HydrophobicContact CB-CG 4.27Å; P339-E341 PolarHBondContact O-N 3.44Å; P339-V342 HydrophobicContact CB-CG2 4.11Å; P339-V342 HydrophobicContact CG-CG2 4.26Å; P339-V342 VanDerWaalsContact O-CG2 3.26Å; P339-V342 WeakPolarHBondContact O-CG2 3.27Å; P339-V342 PolarHBondContact O-N 3.25Å; P339-C343 PolarHBondContact O-SG 2.89Å; P339-C343 VanDerWaalsContact O-SG 3.35Å
340	L	97.9	Very high	94.6	Very high	4 Å²	4	51 Å²	51	2%	0.021	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.1	-37.8	-177.9	-54.4	-168.8	0	0	0	112.1	V229 I230 M233 F257 L324 P325 L327 V342 C343	V229-L340 HydrophobicContact CG1-CB 4.08Å; V229-L340 HydrophobicContact CG1-CD2 4.06Å; V229-L340 HydrophobicContact CG1-CG 4.47Å; I230-L340 HydrophobicContact CD1-CB 3.56Å; I230-L340 HydrophobicContact CD1-CD1 4.34Å; I230-L340 HydrophobicContact CG1-CB 4.27Å; M233-L340 HydrophobicContact SD-CD1 3.76Å; F257-L340 HydrophobicContact CE1-CD1 4.25Å; F257-L340 HydrophobicContact CE1-CD2 4.25Å; F257-L340 HydrophobicContact CZ-CD1 4.31Å; F257-L340 HydrophobicContact CZ-CD2 4.33Å; L324-L340 HydrophobicContact CB-CD1 4.16Å; L324-L340 HydrophobicContact CD1-CD1 4.21Å; P325-L340 HydrophobicContact CG-CD1 4.49Å; P325-L340 WeakPolarHBondContact O-CD2 3.23Å; P325-L340 VanDerWaalsContact O-CG 3.28Å; P325-L340 WeakPolarHBondContact O-CG 3.21Å; L327-L340 HydrophobicContact CD1-CD2 4.48Å; L327-L340 HydrophobicContact CD2-CD2 3.52Å; L327-L340 HydrophobicContact CG-CD2 3.63Å; L340-V342 PolarHBondContact O-N 3.15Å; L340-C343 PolarHBondContact O-N 3.25Å
341	E	96.3	Very high	94.7	Very high	48 Å²	48	49 Å²	49	22%	0.224	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-70.4	-13.4	-175.9	63	-173.6	-117.9	0	0	115	I230 L319 K320 Y321 P339	I230-E341 HydrophobicContact CG1-CB 4.23Å; L319-E341 WeakPolarHBondContact CA-OE1 3.06Å; L319-E341 HydrophobicContact CD2-CG 3.99Å; L319-E341 WeakPolarHBondContact CD2-OE1 3.49Å; K320-E341 PolarHBondContact N-OE1 3.09Å; K320-E341 PolarHBondContact N-OE2 3.48Å; K320-E341 VanDerWaalsContact N-OE2 3.16Å; Y321-E341 WeakPolarHBondContact CB-OE2 3.49Å; Y321-E341 HydrophobicContact CD2-CB 4.22Å; Y321-E341 WeakPolarHBondContact CD2-OE2 3.47Å; Y321-E341 PolarHBondContact N-OE2 2.78Å; P339-E341 VanDerWaalsContact C-N 3.28Å; P339-E341 HydrophobicContact CB-CG 4.27Å; P339-E341 PolarHBondContact O-N 3.44Å
342	V	96.6	Very high	94.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-101.5	14.6	176.2	-57	0	0	0	0	112.9	V268 T269 H270 F311 L317 P339 L340	V268-V342 VanDerWaalsContact CA-O 3.3Å; V268-V342 WeakPolarHBondContact CA-O 3.17Å; T269-V342 PolarHBondContact N-O 3.19Å; T269-V342 WeakPolarHBondContact OG1-CA 3.37Å; T269-V342 PolarHBondContact OG1-O 2.89Å; H270-V342 HydrophobicContact CB-CB 4.33Å; H270-V342 HydrophobicContact CB-CG1 4.23Å; F311-V342 HydrophobicContact CD1-CG1 4.46Å; F311-V342 HydrophobicContact CE1-CG1 4.17Å; F311-V342 HydrophobicContact CE1-CG2 3.94Å; F311-V342 HydrophobicContact CZ-CG2 4.17Å; L317-V342 HydrophobicContact CD1-CG1 4.02Å; L317-V342 HydrophobicContact CD2-CG1 4.33Å; P339-V342 HydrophobicContact CB-CG2 4.11Å; P339-V342 HydrophobicContact CG-CG2 4.26Å; P339-V342 VanDerWaalsContact O-CG2 3.26Å; P339-V342 WeakPolarHBondContact O-CG2 3.27Å; P339-V342 PolarHBondContact O-N 3.25Å; L340-V342 PolarHBondContact O-N 3.15Å
343	C	97.6	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.6	-174.5	-63.6	0	0	0	0	112.1	V229 V266 E267 L327 L338 P339 L340	V229-C343 HydrophobicContact CB-CB 4.13Å; V229-C343 WeakPolarHBondContact CB-O 3.46Å; V229-C343 HydrophobicContact CG2-CB 3.58Å; V229-C343 WeakPolarHBondContact CG2-O 3.39Å; V229-C343 PolarHBondContact N-O 3.45Å; V266-C343 HydrophobicContact CB-CB 4.29Å; E267-C343 WeakPolarHBondContact O-CA 3.49Å; L327-C343 HydrophobicContact CD1-CB 4.22Å; L338-C343 VanDerWaalsContact CB-SG 3.6Å; P339-C343 PolarHBondContact O-SG 2.89Å; P339-C343 VanDerWaalsContact O-SG 3.35Å; L340-C343 PolarHBondContact O-N 3.25Å
344	N	97.7	Very high	94.6	Very high	45 Å²	45	46.2 Å²	46.2	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.7	167.3	-69.1	-17.7	0	0	0	110.5	Q227 P228 V266 E267 T269 V346	Q227-N344 WeakPolarHBondContact O-CA 3.43Å; P228-N344 WeakPolarHBondContact CA-OD1 3.5Å; V266-N344 CarbonylContact C-O 3.5Å; V266-N344 WeakPolarHBondContact CA-O 3.4Å; V266-N344 WeakPolarHBondContact CB-O 3.41Å; E267-N344 HydrophobicContact CG-CB 4Å; E267-N344 PolarHBondContact N-O 3.05Å; E267-N344 PolarHBondContact O-N 3.03Å; T269-N344 WeakPolarHBondContact CG2-ND2 3.3Å; N344-V346 PolarHBondContact O-N 2.84Å
345	I	97.9	Very high	94.4	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125	167.7	-59	-66.1	0	0	0	108.5	K225 A226 Q227 V229 F232 I261 L264 V266 A347	K225-I345 WeakPolarHBondContact O-CB 3.48Å; K225-I345 VanDerWaalsContact O-CG2 3.28Å; K225-I345 WeakPolarHBondContact O-CG2 3.35Å; A226-I345 WeakPolarHBondContact CA-O 3.32Å; Q227-I345 PolarHBondContact O-N 3.29Å; V229-I345 HydrophobicContact CG2-CD1 3.99Å; V229-I345 HydrophobicContact CG2-CG1 4.33Å; F232-I345 HydrophobicContact CB-CD1 4.49Å; F232-I345 HydrophobicContact CB-CG1 4.09Å; F232-I345 HydrophobicContact CD1-CD1 4.35Å; F232-I345 HydrophobicContact CD2-CD1 4.38Å; F232-I345 HydrophobicContact CD2-CG1 4.2Å; F232-I345 HydrophobicContact CG-CD1 4.14Å; F232-I345 HydrophobicContact CG-CG1 4.1Å; I261-I345 HydrophobicContact CD1-CD1 4.25Å; I261-I345 HydrophobicContact CG1-CD1 4.47Å; L264-I345 HydrophobicContact CD1-CD1 4.33Å; V266-I345 HydrophobicContact CG1-CD1 4.16Å; I345-A347 PolarHBondContact O-N 2.71Å
346	V	95.4	Very high	94.3	Very high	10 Å²	10	41 Å²	41	6%	0.061	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-66.6	135.1	178.7	177.9	0	0	0	0	110.1	K265 E267 K277 N344 Q349	K265-V346 HydrophobicContact CB-CB 4.17Å; K265-V346 HydrophobicContact CB-CG2 4.01Å; K265-V346 PolarHBondContact O-N 3.19Å; K265-V346 VanDerWaalsContact O-N 3.1Å; E267-V346 HydrophobicContact CB-CG2 3.95Å; E267-V346 HydrophobicContact CG-CG2 4.14Å; K277-V346 HydrophobicContact CD-CG1 4.36Å; K277-V346 HydrophobicContact CD-CG2 4.36Å; K277-V346 HydrophobicContact CG-CG2 4.16Å; N344-V346 PolarHBondContact O-N 2.84Å; V346-Q349 WeakPolarHBondContact O-CG 3.45Å; V346-Q349 PolarHBondContact O-NE2 3.28Å
347	A	93.1	Very high	93.8	Very high	57 Å²	57	42.5 Å²	42.5	47%	0.471	22%	0.218	S	C	.	.	S	Bend	trans	-61.1	159.6	177.4	0	0	0	0	0	113.8	A226 I345 Q349	A226-A347 HydrophobicContact CB-CB 3.73Å; I345-A347 PolarHBondContact O-N 2.71Å; A347-Q349 VanDerWaalsContact C-N 3.3Å; A347-Q349 PolarHBondContact O-N 2.85Å
348	G	92.7	Very high	93.3	Very high	22 Å²	22	46.7 Å²	46.7	23%	0.227	24%	0.244	C	C	.	.	S	Bend	trans	70.3	22.5	172.7	0	0	0	0	0	114.6	W198	W198-G348 VanDerWaalsContact CH2-CA 3.43Å
349	Q	94.3	Very high	93.1	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.9	175.3	-65.8	-171.9	96.5	0	0	110.9	F223 Y224 K265 V346 A347 C351	F223-Q349 WeakPolarHBondContact CA-O 3.49Å; F223-Q349 VanDerWaalsContact CD1-C 3.42Å; Y224-Q349 HydrophobicContact CD2-CB 4.26Å; Y224-Q349 WeakPolarHBondContact CD2-O 3.49Å; Y224-Q349 PolarHBondContact N-O 3.03Å; K265-Q349 PolarHBondContact O-NE2 2.83Å; V346-Q349 WeakPolarHBondContact O-CG 3.45Å; V346-Q349 PolarHBondContact O-NE2 3.28Å; A347-Q349 VanDerWaalsContact C-N 3.3Å; A347-Q349 PolarHBondContact O-N 2.85Å; Q349-C351 PolarHBondContact O-N 3.35Å
350	R	94.3	Very high	92.7	Very high	120 Å²	120	49.1 Å²	49.1	45%	0.453	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134.9	175.9	179.7	-176.2	175	-160.4	-2.3	111.4	V176 F223 I352	V176-R350 VanDerWaalsContact CG1-CD 3.45Å; F223-R350 HydrophobicContact CD1-CB 4.39Å; F223-R350 HydrophobicContact CE1-CB 4.07Å; F223-R350 HydrophobicContact CZ-CB 4.29Å; R350-I352 PolarHBondContact O-N 2.92Å
351	C	93.5	Very high	92.3	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.054	28%	0.275	C	S	.	.			trans	-75.5	109.1	168	-175.3	0	0	0	0	110.1	A222 Y224 Q349	A222-C351 HydrophobicContact CB-CB 3.91Å; A222-C351 WeakPolarHBondContact O-CB 3.4Å; A222-C351 PolarHBondContact O-N 3.38Å; Y224-C351 HydrophobicContact CD2-CB 4.33Å; Y224-C351 HydrophobicContact CE2-CB 3.95Å; Q349-C351 PolarHBondContact O-N 3.35Å
352	I	88.7	Confident	92.1	Very high	92 Å²	92	52 Å²	52	47%	0.472	28%	0.281	S	S	.	.			trans	-90.3	-18.9	175	60.5	172.1	0	0	0	112.6	R350 A602	R350-I352 PolarHBondContact O-N 2.92Å; I352-A602 HydrophobicContact CB-CB 4.39Å
353	K	87.1	Confident	91.9	Very high	58 Å²	58	53.5 Å²	53.5	25%	0.252	29%	0.289	S	S	.	.	S	Bend	trans	-69.4	149	179.5	-65	179.1	-172.9	167.3	0	109.4	K259 E260 L355	K259-K353 PolarHBondContact O-NZ 3.48Å; E260-K353 PolarHBondContact O-NZ 3.47Å; K353-L355 PolarHBondContact O-N 3.19Å
354	K	87.1	Confident	91.5	Very high	164 Å²	164	57.6 Å²	57.6	71%	0.713	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-61.8	132	176.5	-171.5	179.2	174.8	-178.6	0	109.3
355	L	89.4	Confident	91.1	Very high	25 Å²	25	62.9 Å²	62.9	13%	0.131	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-67.3	149.6	172.5	-63.2	-177	0	0	0	110.6	L191 A222 K353 Q359 M363	L191-L355 HydrophobicContact CD1-CD1 4.36Å; L191-L355 HydrophobicContact CD1-CD2 4.45Å; A222-L355 HydrophobicContact CB-CD1 4.28Å; A222-L355 HydrophobicContact CB-CD2 3.96Å; K353-L355 PolarHBondContact O-N 3.19Å; L355-Q359 HydrophobicContact CB-CB 3.91Å; L355-Q359 HydrophobicContact CD2-CB 4.34Å; L355-Q359 HydrophobicContact CG-CB 4.48Å; L355-M363 HydrophobicContact CD1-CB 4.38Å; L355-M363 HydrophobicContact CD1-SD 3.51Å; L355-M363 VanDerWaalsContact CD1-SD 3.51Å
356	T	89.1	Confident	90.6	Very high	73 Å²	73	63.5 Å²	63.5	45%	0.448	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-67.3	165.3	170.1	69	0	0	0	0	110.5	N358 Q359 T360	T356-N358 PolarHBondContact O-N 3.46Å; T356-Q359 PolarHBondContact O-N 2.94Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.31Å; T356-Q359 VanDerWaalsContact OG1-CG 3.27Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.31Å; T356-Q359 PolarHBondContact OG1-N 2.81Å; T356-Q359 PolarHBondContact OG1-OE1 2.83Å; T356-T360 WeakPolarHBondContact O-CB 3.41Å; T356-T360 PolarHBondContact O-N 2.89Å; T356-T360 PolarHBondContact O-OG1 2.75Å
357	D	86.6	Confident	90.4	Very high	87 Å²	87	64.8 Å²	64.8	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-36.8	179.8	-60.2	-22.8	0	0	0	110.9	T360 S361 K524	D357-T360 PolarHBondContact O-N 2.92Å; D357-S361 WeakPolarHBondContact O-CB 3.38Å; D357-S361 PolarHBondContact O-N 3.17Å; D357-K524 IonicContact OD1-NZ 2.68Å; D357-K524 IonicContact OD2-NZ 3.67Å; D357-K524 PolarHBondContact OD2-NZ 3.48Å
358	N	88.4	Confident	90.2	Very high	133 Å²	133	63.8 Å²	63.8	71%	0.711	34%	0.336	S	S	*	.	H	α-helix	trans	-65.9	-49.4	174.4	-71.5	-7.6	0	0	0	111.9	T356 T360 S361 T362	T356-N358 PolarHBondContact O-N 3.46Å; N358-T360 VanDerWaalsContact C-N 3.28Å; N358-T360 PolarHBondContact O-N 3.38Å; N358-S361 WeakPolarHBondContact O-CB 3.47Å; N358-S361 PolarHBondContact O-N 3.37Å; N358-S361 VanDerWaalsContact O-N 3.15Å; N358-T362 PolarHBondContact O-N 3.41Å; N358-T362 PolarHBondContact O-OG1 3.12Å
359	Q	92.8	Very high	90.2	Very high	12 Å²	12	66 Å²	66	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-40.3	176.2	-74.8	169.2	-13.8	0	0	111.8	L191 G192 L355 T356 T362 M363	L191-Q359 HydrophobicContact CB-CB 4.45Å; L191-Q359 HydrophobicContact CB-CG 4.12Å; L191-Q359 VanDerWaalsContact O-CG 3.24Å; L191-Q359 WeakPolarHBondContact O-CG 3.4Å; G192-Q359 PolarHBondContact O-NE2 2.77Å; L355-Q359 HydrophobicContact CB-CB 3.91Å; L355-Q359 HydrophobicContact CD2-CB 4.34Å; L355-Q359 HydrophobicContact CG-CB 4.48Å; T356-Q359 PolarHBondContact O-N 2.94Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.31Å; T356-Q359 VanDerWaalsContact OG1-CG 3.27Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.31Å; T356-Q359 PolarHBondContact OG1-N 2.81Å; T356-Q359 PolarHBondContact OG1-OE1 2.83Å; Q359-T362 PolarHBondContact O-N 3.03Å; Q359-M363 VanDerWaalsContact O-CB 3.31Å; Q359-M363 WeakPolarHBondContact O-CB 3.31Å; Q359-M363 PolarHBondContact O-N 3.13Å
360	T	91.2	Very high	90.3	Very high	53 Å²	53	66.5 Å²	66.5	33%	0.325	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.7	-57.1	0	0	0	0	110.9	T356 D357 N358 M363 I364	T356-T360 WeakPolarHBondContact O-CB 3.41Å; T356-T360 PolarHBondContact O-N 2.89Å; T356-T360 PolarHBondContact O-OG1 2.75Å; D357-T360 PolarHBondContact O-N 2.92Å; N358-T360 VanDerWaalsContact C-N 3.28Å; N358-T360 PolarHBondContact O-N 3.38Å; T360-M363 PolarHBondContact O-N 3.42Å; T360-I364 HydrophobicContact CG2-CD1 3.91Å; T360-I364 HydrophobicContact CG2-CG1 4.5Å; T360-I364 WeakPolarHBondContact O-CB 3.22Å; T360-I364 VanDerWaalsContact O-CG1 3.25Å; T360-I364 WeakPolarHBondContact O-CG1 3.3Å; T360-I364 PolarHBondContact O-N 3.38Å
361	S	89.4	Confident	90.5	Very high	52 Å²	52	60.9 Å²	60.9	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-47.7	175	-174.8	0	0	0	0	111.8	D357 N358 M363 I364 K365	D357-S361 WeakPolarHBondContact O-CB 3.38Å; D357-S361 PolarHBondContact O-N 3.17Å; N358-S361 WeakPolarHBondContact O-CB 3.47Å; N358-S361 PolarHBondContact O-N 3.37Å; N358-S361 VanDerWaalsContact O-N 3.15Å; S361-M363 PolarHBondContact O-N 2.64Å; S361-I364 PolarHBondContact O-N 3.08Å; S361-K365 WeakPolarHBondContact O-CG 3.38Å; S361-K365 PolarHBondContact O-N 2.83Å
362	T	92	Very high	90.7	Very high	59 Å²	59	61.9 Å²	61.9	36%	0.362	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-44.9	176.4	-55.4	0	0	0	0	111.5	L191 N358 Q359 I364 K365 A366	L191-T362 HydrophobicContact CD2-CG2 3.93Å; N358-T362 PolarHBondContact O-N 3.41Å; N358-T362 PolarHBondContact O-OG1 3.12Å; Q359-T362 PolarHBondContact O-N 3.03Å; T362-I364 PolarHBondContact O-N 2.82Å; T362-K365 PolarHBondContact O-N 2.77Å; T362-A366 WeakPolarHBondContact O-CB 3.33Å; T362-A366 PolarHBondContact O-N 3.21Å
363	M	92.5	Very high	91.1	Very high	36 Å²	36	61.6 Å²	61.6	18%	0.177	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-45.2	176.7	-175.2	-179.8	179.8	0	0	111.6	L191 V197 A220 L355 Q359 T360 S361 K365 A366 T367	L191-M363 HydrophobicContact CD2-CB 4Å; V197-M363 HydrophobicContact CG2-CG 4.47Å; A220-M363 WeakPolarHBondContact O-CE 3.47Å; L355-M363 HydrophobicContact CD1-CB 4.38Å; L355-M363 HydrophobicContact CD1-SD 3.51Å; L355-M363 VanDerWaalsContact CD1-SD 3.51Å; Q359-M363 VanDerWaalsContact O-CB 3.31Å; Q359-M363 WeakPolarHBondContact O-CB 3.31Å; Q359-M363 PolarHBondContact O-N 3.13Å; T360-M363 PolarHBondContact O-N 3.42Å; S361-M363 PolarHBondContact O-N 2.64Å; M363-K365 VanDerWaalsContact C-N 3.35Å; M363-K365 PolarHBondContact O-N 3.19Å; M363-A366 PolarHBondContact O-N 3.22Å; M363-T367 HydrophobicContact CG-CG2 4.41Å; M363-T367 WeakPolarHBondContact O-CB 3.36Å; M363-T367 VanDerWaalsContact O-CG2 3.26Å; M363-T367 WeakPolarHBondContact O-CG2 3.46Å; M363-T367 PolarHBondContact O-N 2.77Å; M363-T367 PolarHBondContact O-OG1 2.94Å
364	I	89.1	Confident	91.6	Very high	85 Å²	85	60.4 Å²	60.4	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-43.4	177.3	-71	167.6	0	0	0	110.6	T360 S361 T362 T367 A368	T360-I364 HydrophobicContact CG2-CD1 3.91Å; T360-I364 HydrophobicContact CG2-CG1 4.5Å; T360-I364 WeakPolarHBondContact O-CB 3.22Å; T360-I364 VanDerWaalsContact O-CG1 3.25Å; T360-I364 WeakPolarHBondContact O-CG1 3.3Å; T360-I364 PolarHBondContact O-N 3.38Å; S361-I364 PolarHBondContact O-N 3.08Å; T362-I364 PolarHBondContact O-N 2.82Å; I364-T367 PolarHBondContact O-N 3.33Å; I364-A368 WeakPolarHBondContact O-CB 3.32Å; I364-A368 PolarHBondContact O-N 3.3Å
365	K	88.7	Confident	92.1	Very high	157 Å²	157	54.1 Å²	54.1	68%	0.683	29%	0.294	S	S	*	.	H	α-helix	trans	-63.2	-42.4	178.1	-72.5	176.1	-177.2	-176.6	0	112.2	S361 T362 M363 T367	S361-K365 WeakPolarHBondContact O-CG 3.38Å; S361-K365 PolarHBondContact O-N 2.83Å; T362-K365 PolarHBondContact O-N 2.77Å; M363-K365 VanDerWaalsContact C-N 3.35Å; M363-K365 PolarHBondContact O-N 3.19Å; K365-T367 VanDerWaalsContact C-N 3.31Å; K365-T367 PolarHBondContact O-N 2.8Å
366	A	87.9	Confident	92.5	Very high	14 Å²	14	57.8 Å²	57.8	12%	0.116	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-31.3	179.8	0	0	0	0	0	112.9	T362 M363 R369	T362-A366 WeakPolarHBondContact O-CB 3.33Å; T362-A366 PolarHBondContact O-N 3.21Å; M363-A366 PolarHBondContact O-N 3.22Å; A366-R369 PolarHBondContact O-NH1 2.96Å; A366-R369 PolarHBondContact O-NH2 3.22Å
367	T	89.7	Confident	92.8	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.233	30%	0.301	C	S	.	.	H	α-helix	trans	-109.3	-9.2	-169.1	62.2	0	0	0	0	114.4	V197 F199 A220 M363 I364 K365 R369	V197-T367 HydrophobicContact CG1-CG2 4.06Å; F199-T367 HydrophobicContact CE1-CG2 4.07Å; F199-T367 HydrophobicContact CZ-CG2 4.22Å; A220-T367 HydrophobicContact CB-CG2 3.32Å; M363-T367 HydrophobicContact CG-CG2 4.41Å; M363-T367 WeakPolarHBondContact O-CB 3.36Å; M363-T367 VanDerWaalsContact O-CG2 3.26Å; M363-T367 WeakPolarHBondContact O-CG2 3.46Å; M363-T367 PolarHBondContact O-N 2.77Å; M363-T367 PolarHBondContact O-OG1 2.94Å; I364-T367 PolarHBondContact O-N 3.33Å; K365-T367 VanDerWaalsContact C-N 3.31Å; K365-T367 PolarHBondContact O-N 2.8Å; T367-R369 PolarHBondContact O-N 3.18Å
368	A	89.5	Confident	93.3	Very high	36 Å²	36	52.6 Å²	52.6	30%	0.298	28%	0.279	S	S	.	.			trans	-66	119.4	174.4	0	0	0	0	0	109.6	I364	I364-A368 WeakPolarHBondContact O-CB 3.32Å; I364-A368 PolarHBondContact O-N 3.3Å
369	R	93.4	Very high	93.7	Very high	68 Å²	68	47.6 Å²	47.6	26%	0.257	25%	0.254	S	S	.	.			trans	-127.9	136.4	175.5	-65.6	-64.2	-175.8	-91.2	-2.8	108.9	A366 T367 D373 R374 E377 G757 T758	A366-R369 PolarHBondContact O-NH1 2.96Å; A366-R369 PolarHBondContact O-NH2 3.22Å; T367-R369 PolarHBondContact O-N 3.18Å; R369-D373 HydrophobicContact CB-CB 4.31Å; R369-R374 HydrophobicContact CB-CB 4.26Å; R369-E377 VanDerWaalsContact CD-OE1 3.31Å; R369-E377 WeakPolarHBondContact CD-OE1 3.46Å; R369-E377 IonicContact CZ-OE1 3.28Å; R369-E377 IonicContact NE-OE1 2.74Å; R369-E377 PolarHBondContact NE-OE1 2.78Å; R369-G757 CarbonylContact O-C 3.49Å; R369-G757 WeakPolarHBondContact O-CA 3.4Å; R369-T758 PolarHBondContact O-N 2.87Å; R369-T758 PolarHBondContact O-OG1 2.84Å
370	S	96.9	Very high	93.9	Very high	26 Å²	26	53 Å²	53	18%	0.182	27%	0.274	C	S	.	.			trans	-60.4	164.2	173.3	75.3	0	0	0	0	110.1	P372 D373 R374 S726 T758	S370-P372 WeakPolarHBondContact OG-CD 3.06Å; S370-D373 WeakPolarHBondContact CB-OD2 3.31Å; S370-D373 PolarHBondContact N-OD2 3.46Å; S370-D373 PolarHBondContact O-N 3.33Å; S370-D373 PolarHBondContact OG-N 2.82Å; S370-D373 PolarHBondContact OG-OD2 3.32Å; S370-R374 WeakPolarHBondContact O-CB 3.37Å; S370-R374 PolarHBondContact O-N 2.95Å; S370-S726 WeakPolarHBondContact CB-O 3.48Å; S370-T758 PolarHBondContact O-OG1 3.47Å
371	A	97.8	Very high	94	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-45	177.2	0	0	0	0	0	112.4	D373 R374 Q375 F715 S726 T758	A371-D373 PolarHBondContact O-N 3.46Å; A371-R374 PolarHBondContact O-N 2.93Å; A371-Q375 WeakPolarHBondContact O-CB 3.33Å; A371-Q375 PolarHBondContact O-N 3.42Å; A371-F715 HydrophobicContact CB-CD1 4.11Å; A371-F715 HydrophobicContact CB-CE1 4.4Å; A371-F715 WeakPolarHBondContact O-CD1 3.28Å; A371-F715 WeakPolarHBondContact O-CE1 3.45Å; A371-S726 PolarHBondContact N-O 2.95Å; A371-T758 HydrophobicContact CB-CG2 3.9Å
372	P	98.1	Very high	94.2	Very high	30 Å²	30	49.7 Å²	49.7	20%	0.195	25%	0.25	C	S	.	.	H	α-helix	trans	-60.5	-43.8	173.8	-25.6	35.7	0	0	0	113.9	S370 R374 Q375 E376 S726	S370-P372 WeakPolarHBondContact OG-CD 3.06Å; P372-R374 VanDerWaalsContact C-N 3.34Å; P372-R374 PolarHBondContact O-N 2.88Å; P372-Q375 WeakPolarHBondContact O-CB 3.32Å; P372-Q375 PolarHBondContact O-N 2.81Å; P372-E376 PolarHBondContact O-N 2.76Å; P372-S726 WeakPolarHBondContact CD-O 3.39Å
373	D	97.1	Very high	94.3	Very high	86 Å²	86	52.8 Å²	52.8	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-42.3	-179.8	-57.6	-32.6	0	0	0	111.1	R369 S370 A371 Q375 E376 E377	R369-D373 HydrophobicContact CB-CB 4.31Å; S370-D373 WeakPolarHBondContact CB-OD2 3.31Å; S370-D373 PolarHBondContact N-OD2 3.46Å; S370-D373 PolarHBondContact O-N 3.33Å; S370-D373 PolarHBondContact OG-N 2.82Å; S370-D373 PolarHBondContact OG-OD2 3.32Å; A371-D373 PolarHBondContact O-N 3.46Å; D373-Q375 VanDerWaalsContact C-N 3.35Å; D373-E376 PolarHBondContact O-N 3.23Å; D373-E377 WeakPolarHBondContact O-CG 3.47Å; D373-E377 PolarHBondContact O-N 3.32Å
374	R	97.3	Very high	94.2	Very high	33 Å²	33	56.9 Å²	56.9	13%	0.125	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-39.1	177.4	-169.5	-178.4	-169.6	119.2	4.8	111.7	D217 V218 R369 S370 A371 P372 E376 E377 I378 F715 T758	D217-R374 IonicContact OD1-CZ 2.86Å; D217-R374 IonicContact OD1-NE 3.93Å; D217-R374 PolarHBondContact OD1-NE 3.43Å; D217-R374 IonicContact OD1-NH2 3.38Å; D217-R374 PolarHBondContact OD1-NH2 3Å; D217-R374 IonicContact OD2-CZ 2.91Å; D217-R374 IonicContact OD2-NE 3.26Å; D217-R374 IonicContact OD2-NH2 2.6Å; D217-R374 PolarHBondContact OD2-NH2 3.36Å; V218-R374 HydrophobicContact CG2-CG 3.66Å; V218-R374 PolarHBondContact O-NH2 3.29Å; R369-R374 HydrophobicContact CB-CB 4.26Å; S370-R374 WeakPolarHBondContact O-CB 3.37Å; S370-R374 PolarHBondContact O-N 2.95Å; A371-R374 PolarHBondContact O-N 2.93Å; P372-R374 VanDerWaalsContact C-N 3.34Å; P372-R374 PolarHBondContact O-N 2.88Å; R374-E376 VanDerWaalsContact C-N 3.31Å; R374-E377 PolarHBondContact O-N 2.84Å; R374-I378 HydrophobicContact CG-CD1 4.05Å; R374-I378 VanDerWaalsContact O-CG1 3.25Å; R374-I378 WeakPolarHBondContact O-CG1 3.4Å; R374-I378 PolarHBondContact O-N 3.35Å; R374-F715 HydrophobicContact CB-CE1 4.42Å; R374-T758 WeakPolarHBondContact CB-OG1 3.37Å; R374-T758 WeakPolarHBondContact CD-OG1 3.38Å
375	Q	98.2	Very high	94.2	Very high	31 Å²	31	55 Å²	55	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-46.7	175.2	-175.5	-170.7	-15.2	0	0	110.6	A371 P372 D373 I378 S379 M404 F715	A371-Q375 WeakPolarHBondContact O-CB 3.33Å; A371-Q375 PolarHBondContact O-N 3.42Å; P372-Q375 WeakPolarHBondContact O-CB 3.32Å; P372-Q375 PolarHBondContact O-N 2.81Å; D373-Q375 VanDerWaalsContact C-N 3.35Å; Q375-I378 PolarHBondContact O-N 3.11Å; Q375-S379 WeakPolarHBondContact O-CB 3.31Å; Q375-S379 PolarHBondContact O-N 3.42Å; Q375-S379 PolarHBondContact O-OG 2.79Å; Q375-M404 HydrophobicContact CG-CE 3.95Å; Q375-M404 HydrophobicContact CG-SD 3.95Å; Q375-F715 HydrophobicContact CB-CD1 3.73Å; Q375-F715 HydrophobicContact CB-CD2 4.19Å; Q375-F715 HydrophobicContact CB-CE1 3.81Å; Q375-F715 HydrophobicContact CB-CE2 4.27Å; Q375-F715 HydrophobicContact CB-CG 3.92Å; Q375-F715 HydrophobicContact CB-CZ 4.08Å; Q375-F715 HydrophobicContact CG-CB 4.35Å; Q375-F715 HydrophobicContact CG-CD1 4.29Å; Q375-F715 HydrophobicContact CG-CD2 4Å; Q375-F715 HydrophobicContact CG-CE2 4.36Å; Q375-F715 HydrophobicContact CG-CG 3.96Å
376	E	97.6	Very high	94.3	Very high	103 Å²	103	51.1 Å²	51.1	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-65.5	-43.9	178.3	-177	58.5	-148.8	0	0	111.8	P372 D373 R374 I378 S379 R380	P372-E376 PolarHBondContact O-N 2.76Å; D373-E376 PolarHBondContact O-N 3.23Å; R374-E376 VanDerWaalsContact C-N 3.31Å; E376-I378 VanDerWaalsContact C-N 3.34Å; E376-I378 PolarHBondContact O-N 3.49Å; E376-S379 PolarHBondContact O-N 2.98Å; E376-R380 WeakPolarHBondContact O-CB 3.46Å; E376-R380 PolarHBondContact O-N 3.03Å; E376-R380 IonicContact OE1-NH2 3.05Å
377	E	95.4	Very high	94.5	Very high	50 Å²	50	51 Å²	51	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-42.6	175.7	-75.6	178.4	176.8	0	0	112	V218 R369 D373 R374 L381	V218-E377 HydrophobicContact CG1-CB 4.09Å; R369-E377 VanDerWaalsContact CD-OE1 3.31Å; R369-E377 WeakPolarHBondContact CD-OE1 3.46Å; R369-E377 IonicContact CZ-OE1 3.28Å; R369-E377 IonicContact NE-OE1 2.74Å; R369-E377 PolarHBondContact NE-OE1 2.78Å; D373-E377 WeakPolarHBondContact O-CG 3.47Å; D373-E377 PolarHBondContact O-N 3.32Å; R374-E377 PolarHBondContact O-N 2.84Å; E377-L381 VanDerWaalsContact O-CB 3.31Å; E377-L381 WeakPolarHBondContact O-CB 3.26Å; E377-L381 PolarHBondContact O-N 2.94Å
378	I	97.3	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-44.1	176.4	-66.3	165.9	0	0	0	110.7	N42 F44 I216 V218 R374 Q375 E376 R380 L381 M382 M404 F715	N42-I378 HydrophobicContact CB-CD1 4.07Å; N42-I378 HydrophobicContact CB-CG2 4.34Å; F44-I378 HydrophobicContact CE2-CG2 4.07Å; F44-I378 HydrophobicContact CZ-CG2 3.93Å; I216-I378 HydrophobicContact CG2-CG2 4.33Å; V218-I378 HydrophobicContact CG1-CG1 4.01Å; V218-I378 HydrophobicContact CG2-CG1 4.25Å; R374-I378 HydrophobicContact CG-CD1 4.05Å; R374-I378 VanDerWaalsContact O-CG1 3.25Å; R374-I378 WeakPolarHBondContact O-CG1 3.4Å; R374-I378 PolarHBondContact O-N 3.35Å; Q375-I378 PolarHBondContact O-N 3.11Å; E376-I378 VanDerWaalsContact C-N 3.34Å; E376-I378 PolarHBondContact O-N 3.49Å; I378-R380 VanDerWaalsContact C-N 3.35Å; I378-R380 PolarHBondContact O-N 2.81Å; I378-L381 WeakPolarHBondContact O-CB 3.29Å; I378-L381 PolarHBondContact O-N 3.08Å; I378-M382 PolarHBondContact O-N 2.81Å; I378-M404 HydrophobicContact CB-CE 3.72Å; I378-M404 HydrophobicContact CD1-CE 4.36Å; I378-M404 HydrophobicContact CG2-CE 3.57Å; I378-F715 HydrophobicContact CD1-CE2 4.45Å; I378-F715 HydrophobicContact CD1-CZ 4.09Å
379	S	96.9	Very high	95.1	Very high	28 Å²	28	55.7 Å²	55.7	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-41.6	-179.7	-54.5	0	0	0	0	111.4	Q375 E376 M382 K383	Q375-S379 WeakPolarHBondContact O-CB 3.31Å; Q375-S379 PolarHBondContact O-N 3.42Å; Q375-S379 PolarHBondContact O-OG 2.79Å; E376-S379 PolarHBondContact O-N 2.98Å; S379-M382 PolarHBondContact O-N 2.89Å; S379-K383 WeakPolarHBondContact O-CG 3.34Å; S379-K383 PolarHBondContact O-N 3.47Å; S379-K383 VanDerWaalsContact O-N 3.17Å
380	R	95.4	Very high	95.3	Very high	125 Å²	125	53.2 Å²	53.2	47%	0.472	27%	0.272	S	S	.	.	H	α-helix	trans	-64	-41.1	172.8	-171.4	-176.6	-55.9	137.8	8.9	111.8	E376 I378 M382 K383 N384	E376-R380 WeakPolarHBondContact O-CB 3.46Å; E376-R380 PolarHBondContact O-N 3.03Å; E376-R380 IonicContact OE1-NH2 3.05Å; I378-R380 VanDerWaalsContact C-N 3.35Å; I378-R380 PolarHBondContact O-N 2.81Å; R380-M382 VanDerWaalsContact C-N 3.33Å; R380-M382 PolarHBondContact O-N 3.48Å; R380-K383 PolarHBondContact O-N 3.37Å; R380-N384 WeakPolarHBondContact O-CB 3.4Å; R380-N384 VanDerWaalsContact O-CG 3.23Å; R380-N384 PolarHBondContact O-N 3.27Å; R380-N384 PolarHBondContact O-OD1 3.48Å
381	L	93.8	Very high	95.3	Very high	36 Å²	36	54 Å²	54	19%	0.188	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-43.3	177.5	-173.5	147	0	0	0	111.5	F201 I216 V218 E377 I378 N384 A385	F201-L381 HydrophobicContact CB-CD1 3.59Å; F201-L381 HydrophobicContact CB-CD2 4.22Å; F201-L381 HydrophobicContact CD1-CD1 4.04Å; F201-L381 HydrophobicContact CD1-CD2 4.5Å; F201-L381 HydrophobicContact CD2-CD2 4.46Å; F201-L381 HydrophobicContact CG-CD1 4.01Å; F201-L381 HydrophobicContact CG-CD2 4.16Å; I216-L381 HydrophobicContact CG2-CD2 3.69Å; V218-L381 HydrophobicContact CG1-CD1 4.26Å; E377-L381 VanDerWaalsContact O-CB 3.31Å; E377-L381 WeakPolarHBondContact O-CB 3.26Å; E377-L381 PolarHBondContact O-N 2.94Å; I378-L381 WeakPolarHBondContact O-CB 3.29Å; I378-L381 PolarHBondContact O-N 3.08Å; L381-N384 PolarHBondContact O-N 2.86Å; L381-A385 WeakPolarHBondContact O-CB 3.36Å; L381-A385 PolarHBondContact O-N 2.88Å
382	M	94.2	Very high	95.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-49.7	176	-76.9	-62.5	-60.9	0	0	112.2	F44 L214 I216 I378 S379 R380 N384 A385 N386 F387 V400	F44-M382 HydrophobicContact CB-CE 4.02Å; F44-M382 HydrophobicContact CD1-CE 3.72Å; F44-M382 HydrophobicContact CD1-CG 4.02Å; F44-M382 HydrophobicContact CD1-SD 4.27Å; F44-M382 HydrophobicContact CD2-CE 4.07Å; F44-M382 HydrophobicContact CD2-CG 4.15Å; F44-M382 HydrophobicContact CD2-SD 3.84Å; F44-M382 HydrophobicContact CE1-CB 4.34Å; F44-M382 HydrophobicContact CE1-CE 4.25Å; F44-M382 HydrophobicContact CE1-CG 3.55Å; F44-M382 HydrophobicContact CE1-SD 4.34Å; F44-M382 HydrophobicContact CE2-CG 3.71Å; F44-M382 HydrophobicContact CE2-SD 3.94Å; F44-M382 HydrophobicContact CG-CE 3.64Å; F44-M382 HydrophobicContact CG-CG 4.31Å; F44-M382 HydrophobicContact CG-SD 4.04Å; F44-M382 HydrophobicContact CZ-CG 3.39Å; F44-M382 HydrophobicContact CZ-SD 4.2Å; L214-M382 HydrophobicContact CD2-CE 4.41Å; I216-M382 HydrophobicContact CB-SD 4.18Å; I216-M382 HydrophobicContact CG1-SD 3.64Å; I216-M382 HydrophobicContact CG2-SD 4.32Å; I378-M382 PolarHBondContact O-N 2.81Å; S379-M382 PolarHBondContact O-N 2.89Å; R380-M382 VanDerWaalsContact C-N 3.33Å; R380-M382 PolarHBondContact O-N 3.48Å; M382-N384 VanDerWaalsContact C-N 3.28Å; M382-N384 PolarHBondContact O-N 3.02Å; M382-A385 PolarHBondContact O-N 3Å; M382-N386 PolarHBondContact O-N 2.88Å; M382-F387 HydrophobicContact CE-CD2 3.77Å; M382-F387 HydrophobicContact CE-CE2 3.99Å; M382-F387 HydrophobicContact SD-CD2 4.02Å; M382-F387 HydrophobicContact SD-CE2 3.6Å; M382-F387 VanDerWaalsContact SD-CE2 3.6Å; M382-V400 HydrophobicContact CE-CG1 3.92Å
383	K	92.9	Very high	95.2	Very high	125 Å²	125	53.9 Å²	53.9	54%	0.543	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-38	176.7	-70.8	178.3	179.2	-178.1	0	112.7	S379 R380 N386	S379-K383 WeakPolarHBondContact O-CG 3.34Å; S379-K383 PolarHBondContact O-N 3.47Å; S379-K383 VanDerWaalsContact O-N 3.17Å; R380-K383 PolarHBondContact O-N 3.37Å; K383-N386 PolarHBondContact O-ND2 3.37Å; K383-N386 PolarHBondContact O-OD1 3.17Å
384	N	90.4	Very high	95.2	Very high	122 Å²	122	54.6 Å²	54.6	65%	0.652	27%	0.272	S	S	*	.	H	α-helix	trans	-79.2	-31.2	179.5	-69	-2.8	0	0	0	112.6	R380 L381 M382 N386	R380-N384 WeakPolarHBondContact O-CB 3.4Å; R380-N384 VanDerWaalsContact O-CG 3.23Å; R380-N384 PolarHBondContact O-N 3.27Å; R380-N384 PolarHBondContact O-OD1 3.48Å; L381-N384 PolarHBondContact O-N 2.86Å; M382-N384 VanDerWaalsContact C-N 3.28Å; M382-N384 PolarHBondContact O-N 3.02Å; N384-N386 VanDerWaalsContact C-N 3.31Å
385	A	89.9	Confident	95.2	Very high	44 Å²	44	55.4 Å²	55.4	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-69.1	-31.3	179.3	0	0	0	0	0	111.9	L381 M382 F387	L381-A385 WeakPolarHBondContact O-CB 3.36Å; L381-A385 PolarHBondContact O-N 2.88Å; M382-A385 PolarHBondContact O-N 3Å; A385-F387 VanDerWaalsContact C-N 3.34Å; A385-F387 HydrophobicContact CB-CD2 3.95Å; A385-F387 HydrophobicContact CB-CE2 3.66Å; A385-F387 HydrophobicContact CB-CZ 4.21Å; A385-F387 PolarHBondContact O-N 3.42Å
386	N	90.7	Very high	95.2	Very high	76 Å²	76	54 Å²	54	41%	0.406	27%	0.271	S	S	.	.			trans	44.4	56.8	178.2	-78.1	-38.8	0	0	0	112	M382 K383 N384 N388 L389	M382-N386 PolarHBondContact O-N 2.88Å; K383-N386 PolarHBondContact O-ND2 3.37Å; K383-N386 PolarHBondContact O-OD1 3.17Å; N384-N386 VanDerWaalsContact C-N 3.31Å; N386-N388 PolarHBondContact O-N 3.01Å; N386-L389 HydrophobicContact CB-CB 4.3Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.43Å
387	F	92.8	Very high	95.2	Very high	12 Å²	12	51 Å²	51	5%	0.053	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-52.3	-33.1	-176.1	-76.5	-81.3	0	0	0	112.8	L214 I216 M382 A385 L389 D390 I393 V400	L214-F387 HydrophobicContact CD2-CD1 4.46Å; L214-F387 HydrophobicContact CD2-CD2 4.13Å; L214-F387 HydrophobicContact CD2-CE1 4.25Å; L214-F387 HydrophobicContact CD2-CE2 3.92Å; L214-F387 HydrophobicContact CD2-CG 4.4Å; L214-F387 HydrophobicContact CD2-CZ 3.98Å; I216-F387 HydrophobicContact CD1-CE2 4.48Å; I216-F387 HydrophobicContact CD1-CZ 4.09Å; M382-F387 HydrophobicContact CE-CD2 3.77Å; M382-F387 HydrophobicContact CE-CE2 3.99Å; M382-F387 HydrophobicContact SD-CD2 4.02Å; M382-F387 HydrophobicContact SD-CE2 3.6Å; M382-F387 VanDerWaalsContact SD-CE2 3.6Å; A385-F387 VanDerWaalsContact C-N 3.34Å; A385-F387 HydrophobicContact CB-CD2 3.95Å; A385-F387 HydrophobicContact CB-CE2 3.66Å; A385-F387 HydrophobicContact CB-CZ 4.21Å; A385-F387 PolarHBondContact O-N 3.42Å; F387-L389 PolarHBondContact O-N 3.19Å; F387-D390 VanDerWaalsContact O-CB 3.31Å; F387-D390 WeakPolarHBondContact O-CB 3.42Å; F387-D390 PolarHBondContact O-N 2.98Å; F387-D390 VanDerWaalsContact O-N 3.1Å; F387-I393 HydrophobicContact CB-CD1 3.99Å; F387-I393 HydrophobicContact CD1-CD1 3.69Å; F387-I393 HydrophobicContact CG-CD1 4.34Å; F387-I393 WeakPolarHBondContact O-CD1 3.43Å; F387-V400 HydrophobicContact CB-CB 4.19Å; F387-V400 HydrophobicContact CB-CG2 4.01Å
388	N	95.3	Very high	95.3	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-70.4	-11.3	178.4	-61.8	-38.9	0	0	0	114.4	N386 Q394 K399 V400	N386-N388 PolarHBondContact O-N 3.01Å; N388-Q394 WeakPolarHBondContact O-CG 3.38Å; N388-Q394 PolarHBondContact O-NE2 3.29Å; N388-K399 WeakPolarHBondContact OD1-CA 3.5Å; N388-V400 PolarHBondContact ND2-O 3.41Å; N388-V400 PolarHBondContact OD1-N 3.14Å; N388-V400 PolarHBondContact OD1-O 3Å
389	L	96	Very high	95.3	Very high	119 Å²	119	55.1 Å²	55.1	62%	0.623	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-99.5	-3	172	-63.2	-178.6	0	0	0	112.9	N386 F387 P391	N386-L389 HydrophobicContact CB-CB 4.3Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.43Å; F387-L389 PolarHBondContact O-N 3.19Å; L389-P391 WeakPolarHBondContact O-CD 3.46Å
390	D	96.5	Very high	95.3	Very high	16 Å²	16	54 Å²	54	9%	0.086	28%	0.277	C	S	.	.			trans	-66.5	120.7	173.6	-179	-35.2	0	0	0	109	L168 F387 Y392 I393 Q394	L168-D390 WeakPolarHBondContact CB-OD2 3.32Å; L168-D390 HydrophobicContact CD2-CB 4.24Å; L168-D390 VanDerWaalsContact CD2-CG 3.48Å; L168-D390 VanDerWaalsContact CD2-OD2 3.27Å; L168-D390 WeakPolarHBondContact CD2-OD2 3.4Å; F387-D390 VanDerWaalsContact O-CB 3.31Å; F387-D390 WeakPolarHBondContact O-CB 3.42Å; F387-D390 PolarHBondContact O-N 2.98Å; F387-D390 VanDerWaalsContact O-N 3.1Å; D390-Y392 PolarHBondContact O-N 3.44Å; D390-Y392 VanDerWaalsContact O-N 3.14Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.46Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.12Å; D390-Y392 PolarHBondContact OD1-N 3.01Å; D390-I393 HydrophobicContact CB-CB 3.94Å; D390-I393 HydrophobicContact CB-CD1 3.87Å; D390-I393 HydrophobicContact CB-CG1 3.83Å; D390-I393 PolarHBondContact O-N 3.37Å; D390-I393 PolarHBondContact OD1-N 2.92Å; D390-Q394 WeakPolarHBondContact O-CG 3.47Å; D390-Q394 PolarHBondContact O-N 2.86Å
391	P	97.1	Very high	95.4	Very high	42 Å²	42	52.4 Å²	52.4	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-23.6	-174.5	25.6	-35.7	0	0	0	113.5	K90 L389 E395	K90-P391 HydrophobicContact CD-CB 4.22Å; L389-P391 WeakPolarHBondContact O-CD 3.46Å; P391-E395 WeakPolarHBondContact O-CB 3.47Å; P391-E395 PolarHBondContact O-N 3.36Å; P391-E395 VanDerWaalsContact O-N 3.16Å
392	Y	97.6	Very high	95.5	Very high	29 Å²	29	53.6 Å²	53.6	11%	0.114	28%	0.28	C	S	.	.	H	α-helix	trans	-83.1	-34.3	176.3	-60.3	-84.2	0	0	0	111.4	K90 V92 H167 L168 M171 D390 F396	K90-Y392 HydrophobicContact CB-CD1 3.87Å; K90-Y392 HydrophobicContact CB-CE1 3.98Å; V92-Y392 HydrophobicContact CG1-CD1 3.81Å; V92-Y392 HydrophobicContact CG1-CG 4.17Å; H167-Y392 AromaticContact CD2-CD1 3.54Å; H167-Y392 AromaticContact CD2-CD2 3.67Å; H167-Y392 AromaticContact CD2-CE1 3.42Å; H167-Y392 VanDerWaalsContact CD2-CE1 3.42Å; H167-Y392 WeakPolarHBondContact CD2-CE1 3.13Å; H167-Y392 AromaticContact CD2-CE2 3.56Å; H167-Y392 AromaticContact CD2-CG 3.66Å; H167-Y392 AromaticContact CD2-CZ 3.43Å; H167-Y392 VanDerWaalsContact CD2-CZ 3.43Å; H167-Y392 AromaticContact NE2-CE1 3.51Å; H167-Y392 AromaticContact NE2-CZ 3.48Å; L168-Y392 HydrophobicContact CB-CD2 4.13Å; L168-Y392 HydrophobicContact CB-CE2 4.47Å; L168-Y392 HydrophobicContact CD1-CE2 4.18Å; M171-Y392 HydrophobicContact CE-CE2 4.36Å; D390-Y392 PolarHBondContact O-N 3.44Å; D390-Y392 VanDerWaalsContact O-N 3.14Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.46Å; D390-Y392 WeakPolarHBondContact OD1-CD2 3.12Å; D390-Y392 PolarHBondContact OD1-N 3.01Å; Y392-F396 VanDerWaalsContact O-CD2 3.24Å; Y392-F396 WeakPolarHBondContact O-CD2 3.34Å; Y392-F396 PolarHBondContact O-N 3.5Å
393	I	97.1	Very high	95.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-41.7	173.3	-66.5	-175.3	0	0	0	110	F387 D390 F396 G397 I398	F387-I393 HydrophobicContact CB-CD1 3.99Å; F387-I393 HydrophobicContact CD1-CD1 3.69Å; F387-I393 HydrophobicContact CG-CD1 4.34Å; F387-I393 WeakPolarHBondContact O-CD1 3.43Å; D390-I393 HydrophobicContact CB-CB 3.94Å; D390-I393 HydrophobicContact CB-CD1 3.87Å; D390-I393 HydrophobicContact CB-CG1 3.83Å; D390-I393 PolarHBondContact O-N 3.37Å; D390-I393 PolarHBondContact OD1-N 2.92Å; I393-F396 PolarHBondContact O-N 2.68Å; I393-G397 PolarHBondContact O-N 2.91Å; I393-I398 HydrophobicContact CG2-CB 3.74Å; I393-I398 HydrophobicContact CG2-CG2 3.97Å; I393-I398 WeakPolarHBondContact CG2-O 3.3Å; I393-I398 PolarHBondContact O-N 3.01Å; I393-I398 VanDerWaalsContact O-N 3.1Å
394	Q	97.7	Very high	95.9	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-45	174.5	-71.6	-178.3	-16.9	0	0	112.6	N388 D390 F396 G397	N388-Q394 WeakPolarHBondContact O-CG 3.38Å; N388-Q394 PolarHBondContact O-NE2 3.29Å; D390-Q394 WeakPolarHBondContact O-CG 3.47Å; D390-Q394 PolarHBondContact O-N 2.86Å; Q394-F396 PolarHBondContact O-N 3.13Å; Q394-G397 PolarHBondContact O-N 3.13Å
395	E	97.6	Very high	96.2	Very high	50 Å²	50	47.6 Å²	47.6	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-52.6	-46.3	175.3	178.9	76.9	175.5	0	0	111.1	R89 K90 V102 P391 G397	R89-E395 WeakPolarHBondContact CA-OE1 3.46Å; K90-E395 HydrophobicContact CB-CB 4.2Å; K90-E395 HydrophobicContact CB-CG 3.95Å; K90-E395 HydrophobicContact CD-CB 4.45Å; K90-E395 PolarHBondContact N-OE1 2.84Å; K90-E395 VanDerWaalsContact N-OE1 3.09Å; V102-E395 HydrophobicContact CG1-CG 4.24Å; V102-E395 WeakPolarHBondContact CG1-O 3.4Å; V102-E395 HydrophobicContact CG2-CG 3.95Å; V102-E395 WeakPolarHBondContact CG2-OE1 3.28Å; P391-E395 WeakPolarHBondContact O-CB 3.47Å; P391-E395 PolarHBondContact O-N 3.36Å; P391-E395 VanDerWaalsContact O-N 3.16Å; E395-G397 PolarHBondContact O-N 2.87Å
396	F	97.7	Very high	96.6	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.4	-179.5	-78.7	-103.1	0	0	0	114.1	P49 M51 V53 V92 V102 W139 A164 Y392 I393 Q394 I398	P49-F396 VanDerWaalsContact CG-O 3.25Å; P49-F396 WeakPolarHBondContact CG-O 3.26Å; M51-F396 HydrophobicContact CE-CD1 4.32Å; M51-F396 VanDerWaalsContact CE-O 3.31Å; M51-F396 WeakPolarHBondContact CE-O 3.26Å; V53-F396 HydrophobicContact CG1-CE1 3.77Å; V53-F396 HydrophobicContact CG2-CD1 4.37Å; V53-F396 HydrophobicContact CG2-CE1 4.31Å; V92-F396 HydrophobicContact CB-CE2 4.32Å; V92-F396 HydrophobicContact CB-CZ 4.46Å; V92-F396 HydrophobicContact CG1-CD2 4.29Å; V92-F396 HydrophobicContact CG1-CE2 3.67Å; V92-F396 HydrophobicContact CG1-CZ 4.28Å; V92-F396 HydrophobicContact CG2-CE1 4.27Å; V92-F396 HydrophobicContact CG2-CE2 3.79Å; V92-F396 HydrophobicContact CG2-CZ 3.49Å; V92-F396 VanDerWaalsContact CG2-CZ 3.49Å; V102-F396 HydrophobicContact CG1-CB 4.23Å; V102-F396 HydrophobicContact CG1-CD1 3.68Å; V102-F396 HydrophobicContact CG1-CD2 3.92Å; V102-F396 HydrophobicContact CG1-CE1 3.96Å; V102-F396 HydrophobicContact CG1-CE2 4.16Å; V102-F396 HydrophobicContact CG1-CG 3.69Å; V102-F396 HydrophobicContact CG1-CZ 4.19Å; W139-F396 HydrophobicContact CH2-CB 4.07Å; W139-F396 AromaticContact CH2-CD1 3.49Å; W139-F396 HydrophobicContact CH2-CD1 3.49Å; W139-F396 VanDerWaalsContact CH2-CD1 3.49Å; W139-F396 HydrophobicContact CH2-CE1 4.39Å; W139-F396 HydrophobicContact CH2-CG 4.21Å; W139-F396 HydrophobicContact CZ2-CD1 4.25Å; W139-F396 HydrophobicContact CZ3-CB 4.26Å; W139-F396 HydrophobicContact CZ3-CD1 4.09Å; A164-F396 HydrophobicContact CB-CD1 4.38Å; A164-F396 HydrophobicContact CB-CG 4.31Å; Y392-F396 VanDerWaalsContact O-CD2 3.24Å; Y392-F396 WeakPolarHBondContact O-CD2 3.34Å; Y392-F396 PolarHBondContact O-N 3.5Å; I393-F396 PolarHBondContact O-N 2.68Å; Q394-F396 PolarHBondContact O-N 3.13Å; F396-I398 HydrophobicContact CB-CD1 3.68Å; F396-I398 HydrophobicContact CB-CG1 3.98Å; F396-I398 PolarHBondContact O-N 2.99Å
397	G	97.2	Very high	96.9	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	22.4	179.1	0	0	0	0	0	114	I393 Q394 E395	I393-G397 PolarHBondContact O-N 2.91Å; Q394-G397 PolarHBondContact O-N 3.13Å; E395-G397 PolarHBondContact O-N 2.87Å
398	I	97.6	Very high	97.2	Very high	5 Å²	5	53 Å²	53	3%	0.026	28%	0.276	C	S	.	.			trans	-82.2	141	-178.8	-62.4	159.3	0	0	0	108.8	V46 E47 W139 L161 A164 M165 I393 F396 V400	V46-I398 HydrophobicContact CG1-CG2 3.59Å; E47-I398 WeakPolarHBondContact O-CA 3.43Å; W139-I398 HydrophobicContact CH2-CD1 3.89Å; W139-I398 HydrophobicContact CH2-CG1 4.15Å; W139-I398 HydrophobicContact CZ3-CD1 4.34Å; W139-I398 HydrophobicContact CZ3-CG1 4.08Å; L161-I398 HydrophobicContact CD1-CD1 3.45Å; L161-I398 VanDerWaalsContact CD1-CD1 3.45Å; L161-I398 HydrophobicContact CD1-CG1 3.96Å; A164-I398 HydrophobicContact CB-CD1 4.18Å; M165-I398 HydrophobicContact CG-CD1 4.41Å; I393-I398 HydrophobicContact CG2-CB 3.74Å; I393-I398 HydrophobicContact CG2-CG2 3.97Å; I393-I398 WeakPolarHBondContact CG2-O 3.3Å; I393-I398 PolarHBondContact O-N 3.01Å; I393-I398 VanDerWaalsContact O-N 3.1Å; F396-I398 HydrophobicContact CB-CD1 3.68Å; F396-I398 HydrophobicContact CB-CG1 3.98Å; F396-I398 PolarHBondContact O-N 2.99Å; I398-V400 HydrophobicContact CG2-CG2 4.39Å
399	K	97.3	Very high	97.3	Very high	130 Å²	130	50.4 Å²	50.4	57%	0.565	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.9	168.3	-57.6	179.3	-178.9	176.4	0	110.5	V46 E47 N388	V46-K399 CarbonylContact C-O 3.59Å; V46-K399 WeakPolarHBondContact CA-O 3.42Å; E47-K399 HydrophobicContact CB-CB 4.19Å; E47-K399 PolarHBondContact N-O 3Å; E47-K399 PolarHBondContact O-N 2.94Å; N388-K399 WeakPolarHBondContact OD1-CA 3.5Å
400	V	97.3	Very high	97.5	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.2	179	-174	0	0	0	0	108.5	F44 E45 M165 L214 M382 F387 N388 I398	F44-V400 HydrophobicContact CB-CG1 4.05Å; E45-V400 WeakPolarHBondContact O-CA 3.45Å; M165-V400 HydrophobicContact CE-CG2 3.53Å; L214-V400 HydrophobicContact CD2-CG1 3.84Å; M382-V400 HydrophobicContact CE-CG1 3.92Å; F387-V400 HydrophobicContact CB-CB 4.19Å; F387-V400 HydrophobicContact CB-CG2 4.01Å; N388-V400 PolarHBondContact ND2-O 3.41Å; N388-V400 PolarHBondContact OD1-N 3.14Å; N388-V400 PolarHBondContact OD1-O 3Å; I398-V400 HydrophobicContact CG2-CG2 4.39Å
401	K	96.9	Very high	97.6	Very high	90 Å²	90	46.4 Å²	46.4	39%	0.391	24%	0.241	S	C	.	.			trans	-73.2	137.2	172.2	-169.9	177.9	-179.6	-176.7	0	110	F44 E45	F44-K401 WeakPolarHBondContact CB-O 3.46Å; F44-K401 WeakPolarHBondContact CD1-O 3.09Å; E45-K401 HydrophobicContact CB-CB 4.1Å; E45-K401 HydrophobicContact CB-CD 4.33Å; E45-K401 HydrophobicContact CG-CD 4.42Å; E45-K401 PolarHBondContact O-N 2.82Å; E45-K401 IonicContact OE1-NZ 2.71Å; E45-K401 PolarHBondContact OE1-NZ 2.82Å; E45-K401 VanDerWaalsContact OE1-NZ 3.16Å
402	D	94.9	Very high	97.6	Very high	61 Å²	61	44.7 Å²	44.7	33%	0.326	23%	0.23	S	C	.	.	S	Bend	trans	-82.6	-21.3	-175.9	-64.4	-34.2	0	0	0	113.5	F44	F44-D402 VanDerWaalsContact CE1-O 3.27Å; F44-D402 WeakPolarHBondContact CE1-O 3.21Å
403	D	97.1	Very high	97.6	Very high	103 Å²	103	46.9 Å²	46.9	55%	0.551	25%	0.247	S	C	*	.	S	Bend	trans	-91.7	146.2	179.7	-61.4	-58.1	0	0	0	112.4	F44	F44-D403 VanDerWaalsContact CD1-O 3.29Å; F44-D403 WeakPolarHBondContact CD1-O 2.9Å
404	M	98.4	Very high	97.6	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.064	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.7	141.5	172.8	-76.4	-170.2	-175.2	0	0	111.1	L40 A41 N42 F44 Q375 I378 E406 F715	L40-M404 HydrophobicContact CB-CB 4.15Å; L40-M404 HydrophobicContact CB-SD 4.18Å; L40-M404 HydrophobicContact CD2-CB 4.28Å; A41-M404 WeakPolarHBondContact O-CB 3.46Å; A41-M404 WeakPolarHBondContact O-CG 3.33Å; N42-M404 HydrophobicContact CB-CE 4.23Å; F44-M404 HydrophobicContact CE1-CB 4.46Å; F44-M404 HydrophobicContact CE1-CG 3.87Å; F44-M404 HydrophobicContact CZ-CE 4.4Å; F44-M404 HydrophobicContact CZ-CG 3.67Å; Q375-M404 HydrophobicContact CG-CE 3.95Å; Q375-M404 HydrophobicContact CG-SD 3.95Å; I378-M404 HydrophobicContact CB-CE 3.72Å; I378-M404 HydrophobicContact CD1-CE 4.36Å; I378-M404 HydrophobicContact CG2-CE 3.57Å; M404-E406 PolarHBondContact O-N 2.87Å; M404-F715 HydrophobicContact CE-CD2 4.33Å; M404-F715 HydrophobicContact CE-CE2 3.87Å; M404-F715 HydrophobicContact SD-CD2 3.83Å; M404-F715 HydrophobicContact SD-CE2 3.92Å
405	A	97.8	Very high	97.6	Very high	6 Å²	6	43.8 Å²	43.8	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.4	174	0	0	0	0	0	110.6	L40 A41 Y43 I739	L40-A405 WeakPolarHBondContact CA-O 3.36Å; A41-A405 PolarHBondContact N-O 3.41Å; A41-A405 PolarHBondContact O-N 3.1Å; Y43-A405 WeakPolarHBondContact O-CB 3.26Å; Y43-A405 PolarHBondContact O-N 3.33Å; A405-I739 HydrophobicContact CB-CG2 4.49Å
406	E	97.9	Very high	97.6	Very high	157 Å²	157	43.2 Å²	43.2	73%	0.734	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	131.6	168.7	-69	-173.2	-173.8	0	0	109.5	L39 L40 M404	L39-E406 WeakPolarHBondContact O-CA 3.23Å; L40-E406 HydrophobicContact CD2-CG 3.73Å; M404-E406 PolarHBondContact O-N 2.87Å
407	V	97.6	Very high	97.6	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.8	-178.3	-177.3	0	0	0	0	108.8	L39 A41 V735 D738 I739	L39-V407 WeakPolarHBondContact CA-O 3.44Å; L39-V407 WeakPolarHBondContact CB-O 3.26Å; L39-V407 PolarHBondContact N-O 2.81Å; L39-V407 PolarHBondContact O-N 2.89Å; A41-V407 HydrophobicContact CB-CG2 4.14Å; V407-V735 HydrophobicContact CG1-CG1 3.56Å; V407-V735 HydrophobicContact CG1-CG2 4.25Å; V407-D738 HydrophobicContact CG1-CB 4.2Å; V407-D738 HydrophobicContact CG2-CB 4.02Å; V407-I739 HydrophobicContact CG2-CG1 4.48Å; V407-I739 HydrophobicContact CG2-CG2 3.78Å
408	T	98.3	Very high	97.6	Very high	84 Å²	84	43 Å²	43	52%	0.515	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.5	172.6	-58.9	0	0	0	0	109.3	P36	P36-T408 HydrophobicContact CB-CG2 4.35Å
409	G	98.5	Very high	97.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	175	171.9	0	0	0	0	0	112.3	P36 I37 T734	P36-G409 CarbonylContact C-O 3.59Å; P36-G409 WeakPolarHBondContact CA-O 3.28Å; I37-G409 PolarHBondContact N-O 2.9Å; I37-G409 PolarHBondContact O-N 2.98Å; G409-T734 CarbonylContact C-O 3.56Å; G409-T734 WeakPolarHBondContact CA-O 3.47Å
410	R	98.8	Very high	97.5	Very high	22 Å²	22	37 Å²	37	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.7	170.8	-67.9	170.5	-67.4	113.2	-0.9	110.2	G31 V33 K35 T733 T734 D736 D776	G31-R410 VanDerWaalsContact O-CZ 3.22Å; G31-R410 PolarHBondContact O-NE 3.26Å; V33-R410 WeakPolarHBondContact O-CD 3.06Å; V33-R410 PolarHBondContact O-NH1 3.37Å; K35-R410 CarbonylContact O-C 3.59Å; K35-R410 WeakPolarHBondContact O-CA 3.43Å; R410-T733 CarbonylContact O-C 3.52Å; R410-T733 WeakPolarHBondContact O-CA 3.5Å; R410-T734 PolarHBondContact N-O 2.84Å; R410-T734 PolarHBondContact O-N 3.26Å; R410-D736 IonicContact CZ-OD1 3.87Å; R410-D736 IonicContact NE-OD1 2.69Å; R410-D736 IonicContact NH2-OD1 2.63Å; R410-D736 PolarHBondContact NH2-OD1 2.88Å; R410-D736 IonicContact NH2-OD2 2.87Å; R410-D736 PolarHBondContact NH2-OD2 3.26Å; R410-D776 IonicContact NH1-OD1 2.74Å; R410-D776 PolarHBondContact NH1-OD1 3.01Å
411	V	98.7	Very high	97.3	Very high	29 Å²	29	38.2 Å²	38.2	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	104.5	171.7	-172.5	0	0	0	0	108	G34 K35 I37 P730	G34-V411 CarbonylContact C-O 3.6Å; G34-V411 WeakPolarHBondContact CA-O 3.44Å; K35-V411 PolarHBondContact N-O 3.02Å; K35-V411 PolarHBondContact O-N 3.35Å; I37-V411 HydrophobicContact CB-CG2 4.05Å; I37-V411 HydrophobicContact CD1-CG2 4.25Å; I37-V411 HydrophobicContact CG2-CG2 3.71Å; V411-P730 HydrophobicContact CG1-CB 4.48Å; V411-P730 HydrophobicContact CG1-CG 4.33Å; V411-P730 HydrophobicContact CG2-CG 3.74Å
412	L	98.4	Very high	96.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.2	145.4	179.8	-63.1	179.6	0	0	0	111.3	V33 A414 G732 T734 L749 Q779 L780 Y783	V33-L412 WeakPolarHBondContact O-CD2 3.4Å; L412-A414 PolarHBondContact O-N 2.96Å; L412-G732 PolarHBondContact N-O 3.27Å; L412-T734 VanDerWaalsContact CD1-OG1 3.28Å; L412-T734 WeakPolarHBondContact CD1-OG1 3.4Å; L412-T734 WeakPolarHBondContact CG-OG1 3.43Å; L412-L749 HydrophobicContact CD1-CD1 4.23Å; L412-Q779 HydrophobicContact CD1-CB 4.1Å; L412-L780 HydrophobicContact CB-CD2 4.39Å; L412-L780 HydrophobicContact CD2-CD2 4.23Å; L412-Y783 HydrophobicContact CB-CD1 3.7Å; L412-Y783 HydrophobicContact CB-CE1 4.05Å; L412-Y783 HydrophobicContact CD1-CD1 4.33Å; L412-Y783 HydrophobicContact CD1-CG 4.42Å
413	P	97.6	Very high	96.5	Very high	75 Å²	75	47.7 Å²	47.7	49%	0.487	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-65.4	133.7	172.5	28.4	-34.1	0	0	0	110.4	V33 L780	V33-P413 HydrophobicContact CG1-CG 4.19Å; P413-L780 HydrophobicContact CG-CD2 4.03Å
414	A	97.4	Very high	96.3	Very high	31 Å²	31	51.7 Å²	51.7	26%	0.256	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-72.8	143	172.7	0	0	0	0	0	110.4	L412 P429 Y783	L412-A414 PolarHBondContact O-N 2.96Å; A414-P429 HydrophobicContact CB-CB 3.86Å; A414-P429 HydrophobicContact CB-CG 4.08Å; A414-Y783 HydrophobicContact CB-CE1 4.25Å
415	P	96.8	Very high	96.2	Very high	6 Å²	6	52 Å²	52	4%	0.039	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-68.2	151	174.2	30.1	-35.6	0	0	0	111.4	P429 L577 Q784 H787	P415-P429 WeakPolarHBondContact O-CD 3.33Å; P415-P429 WeakPolarHBondContact O-CG 3.46Å; P415-L577 HydrophobicContact CB-CD2 3.73Å; P415-L577 HydrophobicContact CG-CD2 3.74Å; P415-Q784 HydrophobicContact CB-CG 4.02Å; P415-Q784 HydrophobicContact CG-CB 4.48Å; P415-Q784 HydrophobicContact CG-CG 4.14Å; P415-H787 VanDerWaalsContact CD-CE1 3.5Å; P415-H787 WeakPolarHBondContact CD-CE1 3.37Å; P415-H787 HydrophobicContact CG-CB 3.92Å
416	I	97	Very high	96.1	Very high	38 Å²	38	56.3 Å²	56.3	20%	0.195	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-80.5	141.9	166.1	-55.1	176.7	0	0	0	108.8	I426 V578	I416-I426 HydrophobicContact CG2-CB 3.84Å; I416-I426 HydrophobicContact CG2-CD1 4.43Å; I416-I426 HydrophobicContact CG2-CG2 4.25Å; I416-V578 HydrophobicContact CB-CB 4.39Å; I416-V578 HydrophobicContact CB-CG2 3.75Å; I416-V578 HydrophobicContact CG2-CG2 3.67Å; I416-V578 WeakPolarHBondContact O-CG2 3.38Å; I416-V578 PolarHBondContact O-N 2.84Å
417	L	97.9	Very high	96	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.5	-179.9	-62.3	163.6	0	0	0	110.2	Y419 I426 A427 P429 W434 I576 L577 H787	L417-Y419 HydrophobicContact CB-CE2 4.43Å; L417-I426 CarbonylContact O-C 3.55Å; L417-I426 WeakPolarHBondContact O-CA 3.4Å; L417-A427 HydrophobicContact CB-CB 4.32Å; L417-A427 PolarHBondContact N-O 2.94Å; L417-A427 PolarHBondContact O-N 3.03Å; L417-P429 HydrophobicContact CD1-CG 4.28Å; L417-W434 HydrophobicContact CD1-CD2 3.54Å; L417-W434 HydrophobicContact CD1-CE3 3.91Å; L417-W434 HydrophobicContact CD1-CG 4.17Å; L417-W434 HydrophobicContact CD1-CH2 3.65Å; L417-W434 HydrophobicContact CD1-CZ2 3.24Å; L417-W434 HydrophobicContact CD1-CZ3 3.95Å; L417-I576 CarbonylContact C-O 3.45Å; L417-I576 WeakPolarHBondContact CA-O 3.22Å; L417-L577 HydrophobicContact CD2-CD2 3.98Å; L417-H787 HydrophobicContact CD2-CB 4.25Å
418	Q	97.9	Very high	95.9	Very high	39 Å²	39	53.4 Å²	53.4	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.9	178.5	-176.4	65.5	54	0	0	110.1	R424 Y442 N575 I576 V578	Q418-R424 VanDerWaalsContact NE2-C 3.32Å; Q418-R424 PolarHBondContact NE2-O 2.9Å; Q418-Y442 HydrophobicContact CG-CD2 4.39Å; Q418-Y442 HydrophobicContact CG-CE2 4.36Å; Q418-N575 WeakPolarHBondContact O-CA 3.45Å; Q418-N575 WeakPolarHBondContact O-CB 3.21Å; Q418-I576 HydrophobicContact CB-CD1 4.44Å; Q418-I576 HydrophobicContact CB-CG1 3.77Å; Q418-I576 HydrophobicContact CG-CG1 4.31Å; Q418-I576 PolarHBondContact N-O 3.23Å; Q418-I576 PolarHBondContact O-N 3.39Å; Q418-V578 HydrophobicContact CB-CG2 4.15Å
419	Y	97.9	Very high	95.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.256	C	S	.	.			trans	-102.7	173.1	171.6	-79.4	-93.9	0	0	0	110.7	L417 A425 A427 W434 M436 K439 Q440 N575	L417-Y419 HydrophobicContact CB-CE2 4.43Å; Y419-A425 WeakPolarHBondContact CA-O 3.28Å; Y419-A425 VanDerWaalsContact CB-O 3.31Å; Y419-A425 WeakPolarHBondContact CB-O 3.37Å; Y419-A425 PolarHBondContact N-O 2.87Å; Y419-A427 HydrophobicContact CD2-CB 4.16Å; Y419-A427 HydrophobicContact CE2-CB 3.77Å; Y419-W434 AromaticContact CZ-NE1 3.94Å; Y419-W434 PolarHBondContact OH-NE1 2.96Å; Y419-M436 HydrophobicContact CD1-CE 4.35Å; Y419-M436 HydrophobicContact CE1-CE 3.84Å; Y419-M436 HydrophobicContact CE1-CG 3.95Å; Y419-M436 HydrophobicContact CE1-SD 4.13Å; Y419-K439 HydrophobicContact CD1-CB 3.99Å; Y419-K439 HydrophobicContact CD2-CB 4.34Å; Y419-K439 HydrophobicContact CD2-CD 3.78Å; Y419-K439 HydrophobicContact CE1-CB 4.44Å; Y419-K439 HydrophobicContact CE2-CD 3.92Å; Y419-K439 HydrophobicContact CG-CB 3.92Å; Y419-K439 HydrophobicContact CG-CD 4.24Å; Y419-Q440 VanDerWaalsContact CB-O 3.31Å; Y419-Q440 WeakPolarHBondContact CB-O 3.39Å; Y419-Q440 VanDerWaalsContact CD1-O 3.3Å; Y419-Q440 WeakPolarHBondContact CD1-O 3.22Å; Y419-N575 HydrophobicContact CD1-CB 4.11Å; Y419-N575 HydrophobicContact CD2-CB 4.13Å; Y419-N575 HydrophobicContact CE1-CB 3.92Å; Y419-N575 HydrophobicContact CE2-CB 3.92Å; Y419-N575 HydrophobicContact CG-CB 4.24Å; Y419-N575 PolarHBondContact OH-ND2 3.01Å
420	G	95.2	Very high	95.7	Very high	6 Å²	6	55.5 Å²	55.5	6%	0.062	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-105.4	-143.3	-175.7	0	0	0	0	0	112.8	N423 R424 Q440 F441	G420-N423 PolarHBondContact O-OD1 2.8Å; G420-R424 WeakPolarHBondContact O-CA 3.3Å; G420-R424 PolarHBondContact O-N 3.23Å; G420-Q440 PolarHBondContact N-O 3.38Å; G420-F441 WeakPolarHBondContact CA-O 3.27Å
421	G	91.5	Very high	95.3	Very high	32 Å²	32	59.9 Å²	59.9	33%	0.33	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-172.7	-173.4	0	0	0	0	0	113.3	N423	G421-N423 VanDerWaalsContact C-N 3.28Å; G421-N423 PolarHBondContact O-N 3.36Å
422	R	87.7	Confident	95.1	Very high	256 Å²	256	58.7 Å²	58.7	97%	0.966	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.7	178.3	-68.2	-175.5	-179.5	-179	-0.8	112.6
423	N	89.1	Confident	95	Very high	95 Å²	95	60.6 Å²	60.6	51%	0.508	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.7	-175.8	66.1	-10.5	0	0	0	114	G420 G421 A425 G438	G420-N423 PolarHBondContact O-OD1 2.8Å; G421-N423 VanDerWaalsContact C-N 3.28Å; G421-N423 PolarHBondContact O-N 3.36Å; N423-A425 PolarHBondContact O-N 3.03Å; N423-A425 VanDerWaalsContact O-N 3.08Å; N423-G438 PolarHBondContact ND2-O 3.24Å
424	R	92	Very high	95	Very high	187 Å²	187	57.9 Å²	57.9	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.5	49.5	-178.5	-64.5	-173.4	177.9	-174.6	0.4	111.7	Q418 G420	Q418-R424 VanDerWaalsContact NE2-C 3.32Å; Q418-R424 PolarHBondContact NE2-O 2.9Å; G420-R424 WeakPolarHBondContact O-CA 3.3Å; G420-R424 PolarHBondContact O-N 3.23Å
425	A	95.2	Very high	94.8	Very high	19 Å²	19	58.4 Å²	58.4	16%	0.157	29%	0.291	C	S	.	.			trans	-60.8	150.2	-171.5	0	0	0	0	0	111.8	Y419 N423 K439	Y419-A425 WeakPolarHBondContact CA-O 3.28Å; Y419-A425 VanDerWaalsContact CB-O 3.31Å; Y419-A425 WeakPolarHBondContact CB-O 3.37Å; Y419-A425 PolarHBondContact N-O 2.87Å; N423-A425 PolarHBondContact O-N 3.03Å; N423-A425 VanDerWaalsContact O-N 3.08Å; A425-K439 HydrophobicContact CB-CB 4.34Å; A425-K439 HydrophobicContact CB-CD 4.47Å; A425-K439 HydrophobicContact CB-CG 3.9Å
426	I	96.1	Very high	94.6	Very high	97 Å²	97	59.1 Å²	59.1	50%	0.497	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	149.4	169.7	57.9	172.6	0	0	0	110.2	I416 L417	I416-I426 HydrophobicContact CG2-CB 3.84Å; I416-I426 HydrophobicContact CG2-CD1 4.43Å; I416-I426 HydrophobicContact CG2-CG2 4.25Å; L417-I426 CarbonylContact O-C 3.55Å; L417-I426 WeakPolarHBondContact O-CA 3.4Å
427	A	96.4	Very high	94.4	Very high	5 Å²	5	66.8 Å²	66.8	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.2	171	0	0	0	0	0	109.5	L417 Y419 P429 W434 K439	L417-A427 HydrophobicContact CB-CB 4.32Å; L417-A427 PolarHBondContact N-O 2.94Å; L417-A427 PolarHBondContact O-N 3.03Å; Y419-A427 HydrophobicContact CD2-CB 4.16Å; Y419-A427 HydrophobicContact CE2-CB 3.77Å; A427-P429 WeakPolarHBondContact O-CD 3.29Å; A427-W434 HydrophobicContact CB-CB 4.27Å; A427-W434 HydrophobicContact CB-CG 4.2Å; A427-K439 HydrophobicContact CB-CD 4.02Å
428	T	95.9	Very high	94.1	Very high	94 Å²	94	69.9 Å²	69.9	58%	0.577	35%	0.352	S	S	*	.			trans	-101.8	111.9	173.8	-53.7	0	0	0	0	108.2	N430	T428-N430 PolarHBondContact O-N 2.87Å
429	P	96.8	Very high	94.1	Very high	12 Å²	12	69.5 Å²	69.5	8%	0.078	35%	0.35	C	S	.	.			trans	-59.1	131.4	176.2	-23.6	34.3	0	0	0	111.3	A414 P415 L417 A427 V433 W434	A414-P429 HydrophobicContact CB-CB 3.86Å; A414-P429 HydrophobicContact CB-CG 4.08Å; P415-P429 WeakPolarHBondContact O-CD 3.33Å; P415-P429 WeakPolarHBondContact O-CG 3.46Å; L417-P429 HydrophobicContact CD1-CG 4.28Å; A427-P429 WeakPolarHBondContact O-CD 3.29Å; P429-V433 WeakPolarHBondContact CA-O 3.39Å; P429-W434 HydrophobicContact CB-CE3 4.02Å; P429-W434 HydrophobicContact CG-CE3 3.9Å; P429-W434 HydrophobicContact CG-CZ3 4.35Å
430	N	94.4	Very high	94.1	Very high	117 Å²	117	72.6 Å²	72.6	63%	0.626	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-113.7	123.1	171.7	-175.8	-80.9	0	0	0	108.4	T428 G432 V433	T428-N430 PolarHBondContact O-N 2.87Å; N430-G432 PolarHBondContact O-N 3.17Å; N430-G432 VanDerWaalsContact O-N 3.09Å; N430-V433 PolarHBondContact N-O 3.41Å; N430-V433 PolarHBondContact O-N 3.34Å
431	Q	92	Very high	94.3	Very high	114 Å²	114	72.5 Å²	72.5	53%	0.533	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	39.8	-176.2	-61.6	-177.9	-14.9	0	0	112.9	V723 A753	Q431-V723 HydrophobicContact CG-CG1 4.42Å; Q431-A753 WeakPolarHBondContact O-CB 3.23Å
432	G	93.5	Very high	94.6	Very high	3 Å²	3	75.3 Å²	75.3	3%	0.031	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	15.1	179.3	0	0	0	0	0	115.7	N430 R794 S795	N430-G432 PolarHBondContact O-N 3.17Å; N430-G432 VanDerWaalsContact O-N 3.09Å; G432-R794 WeakPolarHBondContact O-CA 3.4Å; G432-S795 PolarHBondContact O-N 2.79Å
433	V	96.7	Very high	95.1	Very high	46 Å²	46	66.7 Å²	66.7	28%	0.279	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-132.4	144.5	-179.5	-173.3	0	0	0	0	111	P429 N430 R794	P429-V433 WeakPolarHBondContact CA-O 3.39Å; N430-V433 PolarHBondContact N-O 3.41Å; N430-V433 PolarHBondContact O-N 3.34Å; V433-R794 HydrophobicContact CG1-CG 4.38Å; V433-R794 HydrophobicContact CG2-CG 4.47Å; V433-R794 VanDerWaalsContact CG2-CZ 3.4Å; V433-R794 VanDerWaalsContact CG2-NH1 3.33Å
434	W	97.3	Very high	95.5	Very high	18 Å²	18	63.4 Å²	63.4	7%	0.068	33%	0.325	C	S	.	.			trans	-142.7	179.8	164.9	66.5	101.7	0	0	0	109.4	L417 Y419 A427 P429 H787 T793 R794	L417-W434 HydrophobicContact CD1-CD2 3.54Å; L417-W434 HydrophobicContact CD1-CE3 3.91Å; L417-W434 HydrophobicContact CD1-CG 4.17Å; L417-W434 HydrophobicContact CD1-CH2 3.65Å; L417-W434 HydrophobicContact CD1-CZ2 3.24Å; L417-W434 HydrophobicContact CD1-CZ3 3.95Å; Y419-W434 AromaticContact CZ-NE1 3.94Å; Y419-W434 PolarHBondContact OH-NE1 2.96Å; A427-W434 HydrophobicContact CB-CB 4.27Å; A427-W434 HydrophobicContact CB-CG 4.2Å; P429-W434 HydrophobicContact CB-CE3 4.02Å; P429-W434 HydrophobicContact CG-CE3 3.9Å; P429-W434 HydrophobicContact CG-CZ3 4.35Å; W434-H787 HydrophobicContact CH2-CB 4.29Å; W434-H787 AromaticContact CZ3-CD2 3.71Å; W434-T793 VanDerWaalsContact CE2-CA 3.41Å; W434-T793 VanDerWaalsContact CZ2-CA 3.49Å; W434-T793 PolarHBondContact N-O 2.85Å; W434-T793 WeakPolarHBondContact O-CB 3.47Å; W434-T793 PolarHBondContact O-OG1 3.21Å; W434-R794 VanDerWaalsContact CH2-C 3.43Å; W434-R794 VanDerWaalsContact CH2-N 3.31Å; W434-R794 WeakPolarHBondContact CH2-O 3.41Å; W434-R794 VanDerWaalsContact CZ3-CA 3.45Å
435	D	93.1	Very high	95.8	Very high	42 Å²	42	56 Å²	56	23%	0.225	30%	0.299	C	S	.	.			trans	-137.9	171.8	175.3	69.2	45.1	0	0	0	112.4	R437 K439	D435-R437 WeakPolarHBondContact OD1-CB 3.47Å; D435-R437 PolarHBondContact OD1-N 3.09Å; D435-R437 IonicContact OD1-NE 3.12Å; D435-R437 IonicContact OD2-CZ 3.05Å; D435-R437 IonicContact OD2-NE 2.77Å; D435-R437 PolarHBondContact OD2-NE 3.39Å; D435-R437 IonicContact OD2-NH2 2.68Å; D435-R437 PolarHBondContact OD2-NH2 3.13Å; D435-K439 WeakPolarHBondContact O-CD 3.45Å; D435-K439 WeakPolarHBondContact O-CE 3.34Å; D435-K439 PolarHBondContact O-NZ 3.42Å; D435-K439 IonicContact OD1-NZ 2.67Å; D435-K439 PolarHBondContact OD1-NZ 3.17Å
436	M	93.2	Very high	96	Very high	20 Å²	20	58.7 Å²	58.7	10%	0.099	31%	0.308	C	S	.	.			trans	-96.9	10.8	178	-69.4	-164.8	60.9	0	0	114.5	Y419 G438 K439 F441 A480 L564 T793	Y419-M436 HydrophobicContact CD1-CE 4.35Å; Y419-M436 HydrophobicContact CE1-CE 3.84Å; Y419-M436 HydrophobicContact CE1-CG 3.95Å; Y419-M436 HydrophobicContact CE1-SD 4.13Å; M436-G438 PolarHBondContact O-N 3.41Å; M436-K439 PolarHBondContact O-N 3.25Å; M436-F441 HydrophobicContact CE-CD1 3.58Å; M436-F441 HydrophobicContact CE-CE1 3.45Å; M436-F441 VanDerWaalsContact CE-CE1 3.45Å; M436-F441 HydrophobicContact CE-CG 4.29Å; M436-F441 HydrophobicContact CE-CZ 4.02Å; M436-F441 HydrophobicContact SD-CD1 4.29Å; M436-F441 HydrophobicContact SD-CE1 3.67Å; M436-F441 HydrophobicContact SD-CZ 4.27Å; M436-A480 HydrophobicContact CE-CB 4.03Å; M436-L564 HydrophobicContact SD-CD2 3.34Å; M436-L564 WeakPolarHBondContact SD-CD2 3.35Å; M436-T793 HydrophobicContact CG-CG2 3.77Å
437	R	92.4	Very high	96.1	Very high	200 Å²	200	54.1 Å²	54.1	76%	0.755	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	125.8	179.2	-68.1	179.7	-69.2	170.9	-1.1	109.3	D435 K439	D435-R437 WeakPolarHBondContact OD1-CB 3.47Å; D435-R437 PolarHBondContact OD1-N 3.09Å; D435-R437 IonicContact OD1-NE 3.12Å; D435-R437 IonicContact OD2-CZ 3.05Å; D435-R437 IonicContact OD2-NE 2.77Å; D435-R437 PolarHBondContact OD2-NE 3.39Å; D435-R437 IonicContact OD2-NH2 2.68Å; D435-R437 PolarHBondContact OD2-NH2 3.13Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 WeakPolarHBondContact O-CG 3.45Å; R437-K439 PolarHBondContact O-N 3.48Å; R437-K439 PolarHBondContact O-NZ 3.49Å
438	G	92.7	Very high	96.2	Very high	65 Å²	65	59.7 Å²	59.7	67%	0.67	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	14.2	-175.5	0	0	0	0	0	115.2	N423 M436	N423-G438 PolarHBondContact ND2-O 3.24Å; M436-G438 PolarHBondContact O-N 3.41Å
439	K	96.9	Very high	96.3	Very high	30 Å²	30	57.1 Å²	57.1	13%	0.13	29%	0.292	C	S	.	.			trans	-125.1	140.8	-175	-46.9	-176.9	-169.3	66	0	110.9	Y419 A425 A427 D435 M436 R437	Y419-K439 HydrophobicContact CD1-CB 3.99Å; Y419-K439 HydrophobicContact CD2-CB 4.34Å; Y419-K439 HydrophobicContact CD2-CD 3.78Å; Y419-K439 HydrophobicContact CE1-CB 4.44Å; Y419-K439 HydrophobicContact CE2-CD 3.92Å; Y419-K439 HydrophobicContact CG-CB 3.92Å; Y419-K439 HydrophobicContact CG-CD 4.24Å; A425-K439 HydrophobicContact CB-CB 4.34Å; A425-K439 HydrophobicContact CB-CD 4.47Å; A425-K439 HydrophobicContact CB-CG 3.9Å; A427-K439 HydrophobicContact CB-CD 4.02Å; D435-K439 WeakPolarHBondContact O-CD 3.45Å; D435-K439 WeakPolarHBondContact O-CE 3.34Å; D435-K439 PolarHBondContact O-NZ 3.42Å; D435-K439 IonicContact OD1-NZ 2.67Å; D435-K439 PolarHBondContact OD1-NZ 3.17Å; M436-K439 PolarHBondContact O-N 3.25Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 WeakPolarHBondContact O-CG 3.45Å; R437-K439 PolarHBondContact O-N 3.48Å; R437-K439 PolarHBondContact O-NZ 3.49Å
440	Q	98.3	Very high	96.4	Very high	66 Å²	66	56.7 Å²	56.7	31%	0.308	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-112.4	150.6	175.6	-69.7	-176.9	-24.7	0	0	110.6	Y419 G420 D479 A480	Y419-Q440 VanDerWaalsContact CB-O 3.31Å; Y419-Q440 WeakPolarHBondContact CB-O 3.39Å; Y419-Q440 VanDerWaalsContact CD1-O 3.3Å; Y419-Q440 WeakPolarHBondContact CD1-O 3.22Å; G420-Q440 PolarHBondContact N-O 3.38Å; Q440-D479 WeakPolarHBondContact CG-O 3.28Å; Q440-A480 CarbonylContact C-O 3.48Å; Q440-A480 WeakPolarHBondContact CA-O 3.38Å
441	F	98.6	Very high	96.6	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.018	26%	0.259	C	S	.	.			trans	-51.6	144.1	177.7	-67.3	-50.8	0	0	0	112.5	G420 M436 N443 A480 M482 C563 L564 N567 N574	G420-F441 WeakPolarHBondContact CA-O 3.27Å; M436-F441 HydrophobicContact CE-CD1 3.58Å; M436-F441 HydrophobicContact CE-CE1 3.45Å; M436-F441 VanDerWaalsContact CE-CE1 3.45Å; M436-F441 HydrophobicContact CE-CG 4.29Å; M436-F441 HydrophobicContact CE-CZ 4.02Å; M436-F441 HydrophobicContact SD-CD1 4.29Å; M436-F441 HydrophobicContact SD-CE1 3.67Å; M436-F441 HydrophobicContact SD-CZ 4.27Å; F441-N443 VanDerWaalsContact C-N 3.3Å; F441-N443 PolarHBondContact O-N 3.36Å; F441-A480 HydrophobicContact CD2-CB 4.25Å; F441-A480 WeakPolarHBondContact CD2-O 3.17Å; F441-A480 HydrophobicContact CE2-CB 3.81Å; F441-A480 WeakPolarHBondContact CG-O 3.42Å; F441-A480 HydrophobicContact CZ-CB 4.19Å; F441-A480 PolarHBondContact N-O 3.43Å; F441-M482 HydrophobicContact CD2-CB 3.8Å; F441-M482 HydrophobicContact CE2-CB 3.79Å; F441-M482 HydrophobicContact CE2-SD 4.4Å; F441-C563 HydrophobicContact CE2-CB 4.36Å; F441-C563 HydrophobicContact CZ-CB 4.24Å; F441-L564 HydrophobicContact CE1-CD2 3.55Å; F441-L564 HydrophobicContact CZ-CD2 3.98Å; F441-N567 HydrophobicContact CD2-CB 4.06Å; F441-N567 HydrophobicContact CE2-CB 3.79Å; F441-N567 HydrophobicContact CZ-CB 4.13Å; F441-N574 WeakPolarHBondContact CA-O 3.33Å; F441-N574 VanDerWaalsContact CD1-CA 3.48Å; F441-N574 HydrophobicContact CD1-CB 3.76Å; F441-N574 WeakPolarHBondContact CD1-OD1 3.19Å; F441-N574 HydrophobicContact CE1-CB 3.89Å; F441-N574 WeakPolarHBondContact CE1-OD1 3.4Å
442	Y	98.4	Very high	96.9	Very high	92 Å²	92	45.7 Å²	45.7	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-47.9	176.6	-176.6	-92.6	0	0	0	111.6	Q418 I573 N574 I576	Q418-Y442 HydrophobicContact CG-CD2 4.39Å; Q418-Y442 HydrophobicContact CG-CE2 4.36Å; Y442-I573 HydrophobicContact CD1-CB 4.15Å; Y442-I573 HydrophobicContact CD1-CD1 4.41Å; Y442-I573 HydrophobicContact CD1-CG2 3.87Å; Y442-I573 HydrophobicContact CG-CG2 4.26Å; Y442-I573 PolarHBondContact N-O 3.47Å; Y442-I573 VanDerWaalsContact N-O 3.16Å; Y442-N574 PolarHBondContact N-O 2.82Å; Y442-I576 HydrophobicContact CD1-CG2 4.07Å; Y442-I576 HydrophobicContact CD2-CD1 4.04Å; Y442-I576 HydrophobicContact CD2-CG1 3.97Å; Y442-I576 HydrophobicContact CD2-CG2 4.35Å; Y442-I576 HydrophobicContact CE1-CD1 4.44Å; Y442-I576 HydrophobicContact CE1-CG2 4.34Å; Y442-I576 HydrophobicContact CE2-CD1 3.48Å; Y442-I576 VanDerWaalsContact CE2-CD1 3.48Å; Y442-I576 HydrophobicContact CE2-CG1 3.94Å; Y442-I576 HydrophobicContact CG-CG2 4.08Å
443	N	98.1	Very high	97.2	Very high	75 Å²	75	45.6 Å²	45.6	40%	0.401	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-130.8	100.1	166.6	-177.8	21.4	0	0	0	108.5	F441 N567 G572 I573	F441-N443 VanDerWaalsContact C-N 3.3Å; F441-N443 PolarHBondContact O-N 3.36Å; N443-N567 PolarHBondContact O-ND2 3.29Å; N443-N567 VanDerWaalsContact O-ND2 3.13Å; N443-G572 CarbonylContact O-C 3.55Å; N443-G572 VanDerWaalsContact O-CA 3.28Å; N443-G572 WeakPolarHBondContact O-CA 3.19Å; N443-I573 HydrophobicContact CB-CB 3.91Å; N443-I573 HydrophobicContact CB-CG1 4.28Å; N443-I573 PolarHBondContact N-O 3.3Å; N443-I573 PolarHBondContact O-N 2.81Å
444	G	97.8	Very high	97.3	Very high	25 Å²	25	43.4 Å²	43.4	26%	0.258	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-91.4	129.4	178.7	0	0	0	0	0	111.8	G481 N567	G444-G481 WeakPolarHBondContact CA-O 3.24Å; G444-N567 WeakPolarHBondContact CA-OD1 3.26Å
445	I	98.4	Very high	97.3	Very high	31 Å²	31	43 Å²	43	16%	0.159	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-80.5	133.9	178.6	-56.7	-58.1	0	0	0	110.7	M482 N567 L570	I445-M482 WeakPolarHBondContact O-CA 3.25Å; I445-M482 WeakPolarHBondContact O-CG 3.49Å; I445-N567 PolarHBondContact N-OD1 2.91Å; I445-L570 HydrophobicContact CB-CB 4.19Å; I445-L570 HydrophobicContact CG1-CB 4.02Å; I445-L570 HydrophobicContact CG2-CB 3.94Å; I445-L570 HydrophobicContact CG2-CD1 4.25Å
446	E	98.4	Very high	97.5	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-81.5	122.9	167.6	178.7	170	-117	0	0	110.4	K448 P483 Q485 Q515	E446-K448 HydrophobicContact CG-CG 4.11Å; E446-K448 WeakPolarHBondContact OE2-CE 3.48Å; E446-K448 IonicContact OE2-NZ 3.76Å; E446-K448 PolarHBondContact OE2-NZ 3.39Å; E446-P483 HydrophobicContact CB-CG 4.22Å; E446-P483 HydrophobicContact CG-CG 4.2Å; E446-Q485 VanDerWaalsContact CD-NE2 3.33Å; E446-Q485 HydrophobicContact CG-CG 4.24Å; E446-Q485 PolarHBondContact OE1-NE2 2.76Å; E446-Q515 PolarHBondContact O-NE2 3.03Å
447	I	98.7	Very high	97.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-103.4	107.6	-177.9	-52.5	-178.9	0	0	0	108.5	W450 M482 P483 I484 Q485 I566 L570	I447-W450 HydrophobicContact CG2-CB 3.83Å; I447-W450 HydrophobicContact CG2-CG 4.01Å; I447-M482 HydrophobicContact CD1-CE 3.96Å; I447-M482 HydrophobicContact CD1-CG 4.13Å; I447-M482 HydrophobicContact CD1-SD 3.95Å; I447-M482 HydrophobicContact CG1-CG 4.4Å; I447-P483 PolarHBondContact N-O 2.87Å; I447-I484 HydrophobicContact CB-CG1 4.04Å; I447-I484 HydrophobicContact CD1-CD1 4.45Å; I447-I484 HydrophobicContact CD1-CG1 3.85Å; I447-I484 HydrophobicContact CG1-CG1 4.32Å; I447-Q485 PolarHBondContact O-N 2.78Å; I447-I566 HydrophobicContact CD1-CG2 3.56Å; I447-L570 HydrophobicContact CD1-CD1 3.52Å; I447-L570 HydrophobicContact CG1-CD1 3.63Å
448	K	98.3	Very high	97.6	Very high	122 Å²	122	38.7 Å²	38.7	53%	0.53	21%	0.21	S	C	.	.			trans	-98.5	-46.1	-177.8	-59.2	-177.1	-179.2	-179	0	112.2	E446	E446-K448 HydrophobicContact CG-CG 4.11Å; E446-K448 WeakPolarHBondContact OE2-CE 3.48Å; E446-K448 IonicContact OE2-NZ 3.76Å; E446-K448 PolarHBondContact OE2-NZ 3.39Å
449	V	98.5	Very high	97.6	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.236	22%	0.219	C	C	.	.	S	Bend	trans	-121.6	113.9	-175.3	-170.8	0	0	0	0	109.3	C489 L514 Q515	V449-C489 HydrophobicContact CG1-CB 4.4Å; V449-L514 HydrophobicContact CG1-CB 4.28Å; V449-L514 HydrophobicContact CG1-CD1 4.17Å; V449-Q515 WeakPolarHBondContact O-CB 3.2Å; V449-Q515 PolarHBondContact O-N 2.96Å
450	W	98.8	Very high	97.4	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.8	-176.1	66	-75.7	0	0	0	111.3	I447 I452 T470 I484 P488 C489 L516 I518	I447-W450 HydrophobicContact CG2-CB 3.83Å; I447-W450 HydrophobicContact CG2-CG 4.01Å; W450-I452 HydrophobicContact CE3-CG1 4.22Å; W450-I452 HydrophobicContact CH2-CD1 4.03Å; W450-I452 HydrophobicContact CH2-CG1 4.31Å; W450-I452 HydrophobicContact CZ3-CD1 3.69Å; W450-I452 HydrophobicContact CZ3-CG1 3.52Å; W450-T470 HydrophobicContact CH2-CG2 3.55Å; W450-T470 HydrophobicContact CZ2-CG2 3.92Å; W450-I484 HydrophobicContact CD2-CG2 4.25Å; W450-I484 VanDerWaalsContact CE2-CG2 3.49Å; W450-I484 HydrophobicContact CG-CG2 4.5Å; W450-I484 HydrophobicContact CZ2-CG2 3.78Å; W450-I484 VanDerWaalsContact NE1-CG2 3.29Å; W450-P488 HydrophobicContact CD2-CB 3.98Å; W450-P488 HydrophobicContact CE3-CB 3.87Å; W450-P488 HydrophobicContact CH2-CB 3.76Å; W450-P488 HydrophobicContact CH2-CG 3.84Å; W450-P488 HydrophobicContact CZ2-CB 3.87Å; W450-P488 VanDerWaalsContact CZ2-CD 3.43Å; W450-P488 HydrophobicContact CZ2-CG 4.1Å; W450-P488 HydrophobicContact CZ3-CB 3.78Å; W450-P488 HydrophobicContact CZ3-CG 4.21Å; W450-P488 CarbonylContact O-C 3.52Å; W450-P488 VanDerWaalsContact O-CA 3.23Å; W450-P488 WeakPolarHBondContact O-CA 3.34Å; W450-P488 WeakPolarHBondContact O-CB 3.35Å; W450-C489 PolarHBondContact O-N 2.77Å; W450-C489 PolarHBondContact O-SG 3.36Å; W450-L516 CarbonylContact C-O 3.6Å; W450-L516 VanDerWaalsContact CA-O 3.28Å; W450-L516 WeakPolarHBondContact CA-O 3.47Å; W450-L516 HydrophobicContact CB-CB 4.23Å; W450-I518 HydrophobicContact CE3-CD1 4.13Å; W450-I518 HydrophobicContact CZ3-CD1 3.98Å
451	A	98.8	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.2	-174.9	0	0	0	0	0	112.6	F490 L507 L514 L516 I518	A451-F490 CarbonylContact C-O 3.57Å; A451-F490 WeakPolarHBondContact CA-O 3.25Å; A451-F490 HydrophobicContact CB-CB 3.97Å; A451-F490 HydrophobicContact CB-CD1 4.42Å; A451-L507 HydrophobicContact CB-CD1 4.28Å; A451-L507 HydrophobicContact CB-CD2 3.98Å; A451-L514 HydrophobicContact CB-CD1 4.22Å; A451-L516 PolarHBondContact N-O 3.4Å; A451-I518 PolarHBondContact O-N 2.93Å
452	I	98.8	Very high	97.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.7	170.8	-59.8	-178.5	0	0	0	109.8	W450 T470 P488 F490 C491 K492 I518 I520	W450-I452 HydrophobicContact CE3-CG1 4.22Å; W450-I452 HydrophobicContact CH2-CD1 4.03Å; W450-I452 HydrophobicContact CH2-CG1 4.31Å; W450-I452 HydrophobicContact CZ3-CD1 3.69Å; W450-I452 HydrophobicContact CZ3-CG1 3.52Å; I452-T470 WeakPolarHBondContact CD1-OG1 3.26Å; I452-P488 HydrophobicContact CD1-CG 4.07Å; I452-P488 HydrophobicContact CG1-CB 4.19Å; I452-P488 HydrophobicContact CG1-CG 4.24Å; I452-F490 PolarHBondContact N-O 3.28Å; I452-C491 HydrophobicContact CB-CB 4.37Å; I452-C491 WeakPolarHBondContact O-CA 3.29Å; I452-K492 PolarHBondContact O-N 2.86Å; I452-I518 WeakPolarHBondContact CA-O 3.36Å; I452-I518 HydrophobicContact CG1-CB 4.43Å; I452-I520 HydrophobicContact CG2-CD1 3.97Å
453	A	98.7	Very high	97.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.3	168.9	0	0	0	0	0	109.7	F455 M503 I517 I518 V519 I520	A453-F455 HydrophobicContact CB-CD2 4.47Å; A453-F455 HydrophobicContact CB-CE2 3.9Å; A453-M503 HydrophobicContact CB-SD 3.64Å; A453-I517 HydrophobicContact CB-CG2 4.27Å; A453-I518 PolarHBondContact N-O 3.16Å; A453-V519 CarbonylContact O-C 3.47Å; A453-V519 WeakPolarHBondContact O-CA 3.5Å; A453-I520 PolarHBondContact O-N 2.97Å
454	C	98.5	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.6	-176.4	-168.8	0	0	0	0	111.6	L466 K492 Y493 A494 I520	C454-L466 HydrophobicContact CB-CD1 4.42Å; C454-K492 PolarHBondContact N-O 2.68Å; C454-Y493 HydrophobicContact CB-CD1 3.73Å; C454-Y493 HydrophobicContact CB-CE1 3.97Å; C454-Y493 HydrophobicContact CB-CG 4.45Å; C454-Y493 CarbonylContact O-C 3.45Å; C454-Y493 VanDerWaalsContact O-CA 3.23Å; C454-Y493 WeakPolarHBondContact O-CA 3.48Å; C454-A494 PolarHBondContact O-N 2.89Å; C454-I520 HydrophobicContact CB-CB 4.4Å
455	F	98.1	Very high	97	Very high	10 Å²	10	58 Å²	58	4%	0.044	27%	0.27	C	S	.	.			trans	-94.5	2.8	175.7	-69.4	-100.4	0	0	0	113.1	A453 A494 G496 S499 V500 V519 I520 L521 V527	A453-F455 HydrophobicContact CB-CD2 4.47Å; A453-F455 HydrophobicContact CB-CE2 3.9Å; F455-A494 WeakPolarHBondContact CA-O 3.36Å; F455-A494 HydrophobicContact CD1-CB 3.94Å; F455-A494 HydrophobicContact CE1-CB 3.65Å; F455-A494 HydrophobicContact CE2-CB 4.36Å; F455-A494 HydrophobicContact CG-CB 4.43Å; F455-A494 HydrophobicContact CZ-CB 3.85Å; F455-G496 WeakPolarHBondContact CE1-O 3.38Å; F455-S499 VanDerWaalsContact CE1-OG 3.31Å; F455-S499 WeakPolarHBondContact CE1-OG 3.41Å; F455-V500 HydrophobicContact CE1-CG2 3.71Å; F455-V500 HydrophobicContact CE2-CG2 4.46Å; F455-V500 HydrophobicContact CZ-CB 4.41Å; F455-V500 HydrophobicContact CZ-CG2 3.55Å; F455-V519 HydrophobicContact CD2-CG1 3.65Å; F455-V519 HydrophobicContact CE2-CG1 3.86Å; F455-I520 WeakPolarHBondContact CA-O 3.45Å; F455-I520 WeakPolarHBondContact CB-O 3.4Å; F455-I520 PolarHBondContact N-O 2.95Å; F455-L521 HydrophobicContact CB-CD2 4.22Å; F455-V527 HydrophobicContact CB-CG1 4.29Å; F455-V527 HydrophobicContact CD1-CG1 3.65Å; F455-V527 HydrophobicContact CD1-CG2 4.24Å; F455-V527 HydrophobicContact CD2-CG1 4.16Å; F455-V527 HydrophobicContact CE1-CG1 3.92Å; F455-V527 HydrophobicContact CE2-CG1 4.41Å; F455-V527 HydrophobicContact CG-CG1 3.78Å; F455-V527 HydrophobicContact CZ-CG1 4.31Å
456	A	96.5	Very high	96.9	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	26%	0.264	C	S	.	.	S	Bend	trans	-81.8	142.9	169.6	0	0	0	0	0	109.7	Q458 C461 I520 P522 V548	A456-Q458 PolarHBondContact O-N 2.89Å; A456-C461 HydrophobicContact CB-CB 4.03Å; A456-I520 HydrophobicContact CB-CG2 4.25Å; A456-P522 HydrophobicContact CB-CB 4.4Å; A456-V548 HydrophobicContact CB-CB 3.94Å; A456-V548 HydrophobicContact CB-CG2 3.77Å
457	P	94.6	Very high	96.9	Very high	60 Å²	60	59.5 Å²	59.5	39%	0.39	28%	0.275	S	S	.	.			trans	-56.3	136.7	176.3	-23.9	33.2	0	0	0	111.5	K459 Q460 C461	P457-K459 PolarHBondContact O-N 2.83Å; P457-K459 VanDerWaalsContact O-N 3.12Å; P457-Q460 WeakPolarHBondContact O-CA 3.32Å; P457-Q460 WeakPolarHBondContact O-CB 3.33Å; P457-Q460 PolarHBondContact O-N 2.87Å; P457-C461 PolarHBondContact O-N 2.82Å
458	Q	94.1	Very high	96.8	Very high	109 Å²	109	62.9 Å²	62.9	51%	0.509	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.5	-178.5	-173.6	178.2	11.2	0	0	112.9	A456 Q460 C461 R462 Y493	A456-Q458 PolarHBondContact O-N 2.89Å; Q458-Q460 VanDerWaalsContact C-N 3.27Å; Q458-Q460 PolarHBondContact O-N 2.83Å; Q458-C461 CarbonylContact O-C 3.2Å; Q458-C461 PolarHBondContact O-N 2.97Å; Q458-R462 WeakPolarHBondContact O-CA 3.12Å; Q458-R462 WeakPolarHBondContact O-CG 3.43Å; Q458-R462 PolarHBondContact O-N 3.45Å; Q458-Y493 HydrophobicContact CB-CD1 4.16Å; Q458-Y493 HydrophobicContact CB-CE1 3.96Å; Q458-Y493 HydrophobicContact CB-CE2 4.44Å; Q458-Y493 HydrophobicContact CB-CG 4.49Å; Q458-Y493 HydrophobicContact CG-CD2 4.47Å; Q458-Y493 HydrophobicContact CG-CE1 4.12Å; Q458-Y493 HydrophobicContact CG-CE2 3.95Å
459	K	93	Very high	96.9	Very high	196 Å²	196	57.1 Å²	57.1	85%	0.852	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.7	174.6	-66.7	-173	179.6	-177.5	0	112.7	P457	P457-K459 PolarHBondContact O-N 2.83Å; P457-K459 VanDerWaalsContact O-N 3.12Å
460	Q	92.4	Very high	96.9	Very high	102 Å²	102	55.4 Å²	55.4	48%	0.477	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-33.7	179.5	-171.7	-177.3	16.6	0	0	112.1	P457 Q458 V548	P457-Q460 WeakPolarHBondContact O-CA 3.32Å; P457-Q460 WeakPolarHBondContact O-CB 3.33Å; P457-Q460 PolarHBondContact O-N 2.87Å; Q458-Q460 VanDerWaalsContact C-N 3.27Å; Q458-Q460 PolarHBondContact O-N 2.83Å; Q460-V548 HydrophobicContact CG-CG2 4.21Å
461	C	95.7	Very high	96.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-130.3	88.5	-179.2	-167.5	0	0	0	0	109.1	A456 P457 Q458 L466 Y493 V548	A456-C461 HydrophobicContact CB-CB 4.03Å; P457-C461 PolarHBondContact O-N 2.82Å; Q458-C461 CarbonylContact O-C 3.2Å; Q458-C461 PolarHBondContact O-N 2.97Å; C461-L466 VanDerWaalsContact SG-CD2 3.53Å; C461-Y493 VanDerWaalsContact O-CE1 3.23Å; C461-Y493 WeakPolarHBondContact O-CE1 3.45Å; C461-Y493 PolarHBondContact O-OH 2.94Å; C461-V548 HydrophobicContact CB-CG2 3.71Å
462	R	96.5	Very high	96.8	Very high	156 Å²	156	61.5 Å²	61.5	59%	0.589	29%	0.288	S	S	*	.			trans	-74.4	165	-179	-58.1	179.3	-173	177.7	-0.8	111.3	Q458 E464 V465 L466 Y493	Q458-R462 WeakPolarHBondContact O-CA 3.12Å; Q458-R462 WeakPolarHBondContact O-CG 3.43Å; Q458-R462 PolarHBondContact O-N 3.45Å; R462-E464 VanDerWaalsContact C-N 3.31Å; R462-E464 PolarHBondContact O-N 3.38Å; R462-V465 HydrophobicContact CB-CG2 4.34Å; R462-V465 VanDerWaalsContact O-CB 3.32Å; R462-V465 WeakPolarHBondContact O-CB 3.44Å; R462-V465 PolarHBondContact O-N 2.74Å; R462-L466 PolarHBondContact O-N 2.85Å; R462-L466 VanDerWaalsContact O-N 3.15Å; R462-Y493 VanDerWaalsContact C-OH 3.28Å
463	E	95.6	Very high	96.8	Very high	126 Å²	126	61.5 Å²	61.5	59%	0.589	29%	0.288	S	S	*	.	H	α-helix	trans	-61.8	-37.2	179.9	-65.8	-174.4	174.2	0	0	113	V465 L466 K467 Y493	E463-V465 PolarHBondContact O-N 3.22Å; E463-L466 WeakPolarHBondContact O-CB 3.49Å; E463-L466 PolarHBondContact O-N 2.87Å; E463-L466 VanDerWaalsContact O-N 3.11Å; E463-K467 PolarHBondContact O-N 2.76Å; E463-Y493 HydrophobicContact CG-CE2 3.96Å; E463-Y493 WeakPolarHBondContact CG-OH 3.41Å; E463-Y493 PolarHBondContact N-OH 2.98Å
464	E	96.6	Very high	96.8	Very high	148 Å²	148	65 Å²	65	69%	0.692	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-38.9	173.4	-65.4	168.9	-177	0	0	112.2	R462 K467 N468	R462-E464 VanDerWaalsContact C-N 3.31Å; R462-E464 PolarHBondContact O-N 3.38Å; E464-K467 PolarHBondContact O-N 2.97Å; E464-N468 WeakPolarHBondContact O-CB 3.34Å; E464-N468 PolarHBondContact O-N 3.43Å
465	V	97.5	Very high	96.8	Very high	35 Å²	35	71 Å²	71	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-41.2	177.2	-179.3	0	0	0	0	110.3	R462 E463 F469 V551 V552	R462-V465 HydrophobicContact CB-CG2 4.34Å; R462-V465 VanDerWaalsContact O-CB 3.32Å; R462-V465 WeakPolarHBondContact O-CB 3.44Å; R462-V465 PolarHBondContact O-N 2.74Å; E463-V465 PolarHBondContact O-N 3.22Å; V465-F469 WeakPolarHBondContact O-CB 3.28Å; V465-F469 PolarHBondContact O-N 3.48Å; V465-V551 HydrophobicContact CG1-CG1 4.2Å; V465-V552 HydrophobicContact CG1-CB 4.41Å; V465-V552 HydrophobicContact CG1-CG2 4.07Å
466	L	97.6	Very high	96.8	Very high	7 Å²	7	71.9 Å²	71.9	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-41.5	175.4	-63.4	179.7	0	0	0	112	C454 C461 R462 E463 T470 Y493 I520 V551	C454-L466 HydrophobicContact CB-CD1 4.42Å; C461-L466 VanDerWaalsContact SG-CD2 3.53Å; R462-L466 PolarHBondContact O-N 2.85Å; R462-L466 VanDerWaalsContact O-N 3.15Å; E463-L466 WeakPolarHBondContact O-CB 3.49Å; E463-L466 PolarHBondContact O-N 2.87Å; E463-L466 VanDerWaalsContact O-N 3.11Å; L466-T470 WeakPolarHBondContact O-CB 3.25Å; L466-T470 PolarHBondContact O-N 2.93Å; L466-T470 PolarHBondContact O-OG1 2.97Å; L466-Y493 HydrophobicContact CD1-CE1 4.23Å; L466-Y493 HydrophobicContact CD1-CE2 4.5Å; L466-Y493 WeakPolarHBondContact CD1-OH 3.18Å; L466-I520 HydrophobicContact CD2-CD1 3.11Å; L466-V551 HydrophobicContact CD2-CG1 4.22Å
467	K	97.4	Very high	96.8	Very high	132 Å²	132	71.8 Å²	71.8	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-63.8	-50.7	177.2	-171.5	177.8	-179.9	-178.3	0	111	E463 E464 F469 T470 D471	E463-K467 PolarHBondContact O-N 2.76Å; E464-K467 PolarHBondContact O-N 2.97Å; K467-F469 PolarHBondContact O-N 3.03Å; K467-T470 WeakPolarHBondContact O-CB 3.43Å; K467-T470 PolarHBondContact O-N 3.16Å; K467-T470 VanDerWaalsContact O-N 3.11Å; K467-D471 PolarHBondContact O-N 3.42Å
468	N	97.9	Very high	97	Very high	73 Å²	73	75.9 Å²	75.9	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-59.6	-44.3	176.8	179	54.2	0	0	0	112.1	E464 T470 D471 Q472	E464-N468 WeakPolarHBondContact O-CB 3.34Å; E464-N468 PolarHBondContact O-N 3.43Å; N468-T470 VanDerWaalsContact C-N 3.31Å; N468-T470 PolarHBondContact O-N 2.85Å; N468-D471 PolarHBondContact O-N 3.43Å; N468-Q472 WeakPolarHBondContact O-CB 3.23Å; N468-Q472 VanDerWaalsContact O-CG 3.26Å; N468-Q472 WeakPolarHBondContact O-CG 3.18Å; N468-Q472 PolarHBondContact O-N 2.93Å
469	F	98.6	Very high	97.1	Very high	1 Å²	1	75.1 Å²	75.1	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-57.4	-45.7	174.2	166.6	-99.4	0	0	0	111.9	V465 K467 L473 I518 V546 V551 T554 L559 L562	V465-F469 WeakPolarHBondContact O-CB 3.28Å; V465-F469 PolarHBondContact O-N 3.48Å; K467-F469 PolarHBondContact O-N 3.03Å; F469-L473 HydrophobicContact CE1-CD2 4.05Å; F469-L473 HydrophobicContact CZ-CD2 3.92Å; F469-L473 VanDerWaalsContact O-CB 3.28Å; F469-L473 WeakPolarHBondContact O-CB 3.32Å; F469-L473 PolarHBondContact O-N 3.38Å; F469-I518 HydrophobicContact CE1-CG2 4.33Å; F469-V546 HydrophobicContact CZ-CG2 4.39Å; F469-V551 HydrophobicContact CB-CG1 3.64Å; F469-V551 HydrophobicContact CD1-CG1 4.21Å; F469-V551 HydrophobicContact CD2-CB 4.29Å; F469-V551 HydrophobicContact CD2-CG1 4.08Å; F469-V551 HydrophobicContact CD2-CG2 4.25Å; F469-V551 HydrophobicContact CE2-CG2 4.32Å; F469-V551 HydrophobicContact CG-CB 4.41Å; F469-V551 HydrophobicContact CG-CG1 3.71Å; F469-V551 HydrophobicContact CG-CG2 4.5Å; F469-T554 HydrophobicContact CB-CG2 4.35Å; F469-T554 HydrophobicContact CD2-CG2 3.77Å; F469-L559 HydrophobicContact CD2-CD2 4.1Å; F469-L559 HydrophobicContact CE2-CD2 3.65Å; F469-L562 HydrophobicContact CE2-CD2 4.42Å; F469-L562 HydrophobicContact CZ-CD2 4.07Å
470	T	98.4	Very high	97.3	Very high	3 Å²	3	66 Å²	66	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-48.6	179.4	-65	0	0	0	0	111.3	W450 I452 L466 K467 N468 Q472 L473 R474	W450-T470 HydrophobicContact CH2-CG2 3.55Å; W450-T470 HydrophobicContact CZ2-CG2 3.92Å; I452-T470 WeakPolarHBondContact CD1-OG1 3.26Å; L466-T470 WeakPolarHBondContact O-CB 3.25Å; L466-T470 PolarHBondContact O-N 2.93Å; L466-T470 PolarHBondContact O-OG1 2.97Å; K467-T470 WeakPolarHBondContact O-CB 3.43Å; K467-T470 PolarHBondContact O-N 3.16Å; K467-T470 VanDerWaalsContact O-N 3.11Å; N468-T470 VanDerWaalsContact C-N 3.31Å; N468-T470 PolarHBondContact O-N 2.85Å; T470-Q472 PolarHBondContact O-N 3.13Å; T470-L473 PolarHBondContact O-N 3.45Å; T470-R474 HydrophobicContact CG2-CG 4.26Å; T470-R474 WeakPolarHBondContact O-CB 3.31Å; T470-R474 WeakPolarHBondContact O-CG 3.4Å; T470-R474 PolarHBondContact O-N 2.78Å
471	D	98.2	Very high	97.6	Very high	60 Å²	60	62 Å²	62	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-42.4	-178.3	-68.4	-28	0	0	0	111.6	K467 N468 R474 K475	K467-D471 PolarHBondContact O-N 3.42Å; N468-D471 PolarHBondContact O-N 3.43Å; D471-R474 PolarHBondContact O-N 2.91Å; D471-R474 IonicContact OD1-NH1 3.95Å; D471-K475 PolarHBondContact O-N 3.46Å
472	Q	98.4	Very high	97.7	Very high	71 Å²	71	62 Å²	62	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-41.5	174.9	-64.9	-62	-32	0	0	112	N468 T470 K475 I476 L559	N468-Q472 WeakPolarHBondContact O-CB 3.23Å; N468-Q472 VanDerWaalsContact O-CG 3.26Å; N468-Q472 WeakPolarHBondContact O-CG 3.18Å; N468-Q472 PolarHBondContact O-N 2.93Å; T470-Q472 PolarHBondContact O-N 3.13Å; Q472-K475 PolarHBondContact O-N 2.82Å; Q472-I476 WeakPolarHBondContact O-CG1 3.36Å; Q472-I476 PolarHBondContact O-N 2.98Å; Q472-L559 HydrophobicContact CB-CD1 3.65Å
473	L	98.6	Very high	97.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-45.3	177.4	179.7	61	0	0	0	111.3	F469 T470 K475 I476 S477 I484 I518 L559 L562	F469-L473 HydrophobicContact CE1-CD2 4.05Å; F469-L473 HydrophobicContact CZ-CD2 3.92Å; F469-L473 VanDerWaalsContact O-CB 3.28Å; F469-L473 WeakPolarHBondContact O-CB 3.32Å; F469-L473 PolarHBondContact O-N 3.38Å; T470-L473 PolarHBondContact O-N 3.45Å; L473-K475 VanDerWaalsContact C-N 3.34Å; L473-K475 PolarHBondContact O-N 3.26Å; L473-I476 PolarHBondContact O-N 3.42Å; L473-S477 VanDerWaalsContact O-CB 3.26Å; L473-S477 WeakPolarHBondContact O-CB 3.35Å; L473-S477 PolarHBondContact O-N 3.41Å; L473-I484 HydrophobicContact CD2-CD1 4.3Å; L473-I484 HydrophobicContact CG-CD1 4.06Å; L473-I518 HydrophobicContact CD2-CD1 3.65Å; L473-L559 HydrophobicContact CB-CD2 4.46Å; L473-L559 HydrophobicContact CD1-CD2 4.26Å; L473-L562 HydrophobicContact CD1-CD2 4.15Å; L473-L562 HydrophobicContact CD2-CD2 4.41Å
474	R	98.5	Very high	97.9	Very high	72 Å²	72	51.1 Å²	51.1	27%	0.272	25%	0.25	S	S	.	.	H	α-helix	trans	-60.7	-41.3	177.6	-71.7	174.3	67.4	-143.2	1.4	112.1	T470 D471 S477 K478 I484 G486	T470-R474 HydrophobicContact CG2-CG 4.26Å; T470-R474 WeakPolarHBondContact O-CB 3.31Å; T470-R474 WeakPolarHBondContact O-CG 3.4Å; T470-R474 PolarHBondContact O-N 2.78Å; D471-R474 PolarHBondContact O-N 2.91Å; D471-R474 IonicContact OD1-NH1 3.95Å; R474-S477 PolarHBondContact O-OG 2.82Å; R474-S477 VanDerWaalsContact O-OG 3.14Å; R474-K478 WeakPolarHBondContact O-CB 3.04Å; R474-K478 PolarHBondContact O-N 3.15Å; R474-I484 HydrophobicContact CG-CB 3.93Å; R474-I484 HydrophobicContact CG-CG2 3.81Å; R474-I484 PolarHBondContact NE-O 2.95Å; R474-G486 PolarHBondContact NE-O 2.87Å
475	K	98.1	Very high	97.9	Very high	127 Å²	127	48.5 Å²	48.5	55%	0.552	24%	0.238	S	C	*	.	H	α-helix	trans	-59.4	-55.6	174.7	-178.2	-178.7	177.5	-179.8	0	110.9	D471 Q472 L473 S477 K478 D479	D471-K475 PolarHBondContact O-N 3.46Å; Q472-K475 PolarHBondContact O-N 2.82Å; L473-K475 VanDerWaalsContact C-N 3.34Å; L473-K475 PolarHBondContact O-N 3.26Å; K475-S477 VanDerWaalsContact C-N 3.3Å; K475-S477 PolarHBondContact O-N 2.94Å; K475-K478 PolarHBondContact O-N 3.44Å; K475-D479 VanDerWaalsContact O-CG 3.31Å; K475-D479 PolarHBondContact O-N 3.41Å
476	I	98.1	Very high	97.7	Very high	28 Å²	28	48.8 Å²	48.8	14%	0.144	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-36	-178.1	-64.2	-64.8	0	0	0	111.9	Q472 L473 D479 A480 P556 L559	Q472-I476 WeakPolarHBondContact O-CG1 3.36Å; Q472-I476 PolarHBondContact O-N 2.98Å; L473-I476 PolarHBondContact O-N 3.42Å; I476-D479 PolarHBondContact O-N 3.14Å; I476-A480 WeakPolarHBondContact O-CB 3.35Å; I476-A480 PolarHBondContact O-N 3.33Å; I476-P556 HydrophobicContact CD1-CB 4.11Å; I476-L559 HydrophobicContact CB-CB 4.31Å; I476-L559 HydrophobicContact CG1-CB 4.21Å; I476-L559 HydrophobicContact CG1-CD1 4.26Å; I476-L559 HydrophobicContact CG2-CB 4.17Å
477	S	98.1	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-41.3	177.7	88.2	0	0	0	0	111.6	L473 R474 K475 A480 G481 M482 I484	L473-S477 VanDerWaalsContact O-CB 3.26Å; L473-S477 WeakPolarHBondContact O-CB 3.35Å; L473-S477 PolarHBondContact O-N 3.41Å; R474-S477 PolarHBondContact O-OG 2.82Å; R474-S477 VanDerWaalsContact O-OG 3.14Å; K475-S477 VanDerWaalsContact C-N 3.3Å; K475-S477 PolarHBondContact O-N 2.94Å; S477-A480 CarbonylContact O-C 3.58Å; S477-A480 PolarHBondContact O-N 3.39Å; S477-G481 PolarHBondContact O-N 3.02Å; S477-M482 CarbonylContact C-O 3.57Å; S477-M482 VanDerWaalsContact C-O 3.25Å; S477-M482 WeakPolarHBondContact CB-O 3.46Å; S477-M482 CarbonylContact O-C 3.56Å; S477-M482 VanDerWaalsContact O-C 3.32Å; S477-M482 WeakPolarHBondContact O-CA 3.47Å; S477-M482 PolarHBondContact O-N 3.26Å; S477-M482 VanDerWaalsContact O-O 3.13Å; S477-M482 PolarHBondContact OG-O 3.35Å; S477-I484 WeakPolarHBondContact OG-CD1 3.35Å; S477-I484 WeakPolarHBondContact OG-CG1 3.46Å; S477-I484 PolarHBondContact OG-N 2.75Å
478	K	97.9	Very high	97.7	Very high	147 Å²	147	48 Å²	48	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-61.6	-45.8	174.4	-174.5	-178.2	179.9	-176.8	0	111.3	R474 K475 A480 G481	R474-K478 WeakPolarHBondContact O-CB 3.04Å; R474-K478 PolarHBondContact O-N 3.15Å; K475-K478 PolarHBondContact O-N 3.44Å; K478-A480 PolarHBondContact O-N 3.42Å; K478-G481 PolarHBondContact O-N 2.61Å
479	D	96.8	Very high	97.7	Very high	92 Å²	92	46.8 Å²	46.8	49%	0.492	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-36.1	177.5	-65.6	-17.8	0	0	0	111.5	Q440 K475 I476 G481	Q440-D479 WeakPolarHBondContact CG-O 3.28Å; K475-D479 VanDerWaalsContact O-CG 3.31Å; K475-D479 PolarHBondContact O-N 3.41Å; I476-D479 PolarHBondContact O-N 3.14Å; D479-G481 VanDerWaalsContact C-N 3.26Å; D479-G481 PolarHBondContact O-N 3.12Å
480	A	97.4	Very high	97.7	Very high	6 Å²	6	48 Å²	48	5%	0.05	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.5	175.2	0	0	0	0	0	114.3	M436 Q440 F441 I476 S477 K478	M436-A480 HydrophobicContact CE-CB 4.03Å; Q440-A480 CarbonylContact C-O 3.48Å; Q440-A480 WeakPolarHBondContact CA-O 3.38Å; F441-A480 HydrophobicContact CD2-CB 4.25Å; F441-A480 WeakPolarHBondContact CD2-O 3.17Å; F441-A480 HydrophobicContact CE2-CB 3.81Å; F441-A480 WeakPolarHBondContact CG-O 3.42Å; F441-A480 HydrophobicContact CZ-CB 4.19Å; F441-A480 PolarHBondContact N-O 3.43Å; I476-A480 WeakPolarHBondContact O-CB 3.35Å; I476-A480 PolarHBondContact O-N 3.33Å; S477-A480 CarbonylContact O-C 3.58Å; S477-A480 PolarHBondContact O-N 3.39Å; K478-A480 PolarHBondContact O-N 3.42Å
481	G	97.6	Very high	97.7	Very high	18 Å²	18	50.5 Å²	50.5	19%	0.186	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	17.6	-178.7	0	0	0	0	0	114.8	G444 S477 K478 D479 P483	G444-G481 WeakPolarHBondContact CA-O 3.24Å; S477-G481 PolarHBondContact O-N 3.02Å; K478-G481 PolarHBondContact O-N 2.61Å; D479-G481 VanDerWaalsContact C-N 3.26Å; D479-G481 PolarHBondContact O-N 3.12Å; G481-P483 VanDerWaalsContact C-CD 3.47Å; G481-P483 WeakPolarHBondContact O-CD 3.21Å
482	M	98.3	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.			trans	-115.3	73.3	172	-174.2	-167.4	72.6	0	0	108.8	F441 I445 I447 S477 I484 C563 I566 N567	F441-M482 HydrophobicContact CD2-CB 3.8Å; F441-M482 HydrophobicContact CE2-CB 3.79Å; F441-M482 HydrophobicContact CE2-SD 4.4Å; I445-M482 WeakPolarHBondContact O-CA 3.25Å; I445-M482 WeakPolarHBondContact O-CG 3.49Å; I447-M482 HydrophobicContact CD1-CE 3.96Å; I447-M482 HydrophobicContact CD1-CG 4.13Å; I447-M482 HydrophobicContact CD1-SD 3.95Å; I447-M482 HydrophobicContact CG1-CG 4.4Å; S477-M482 CarbonylContact C-O 3.57Å; S477-M482 VanDerWaalsContact C-O 3.25Å; S477-M482 WeakPolarHBondContact CB-O 3.46Å; S477-M482 CarbonylContact O-C 3.56Å; S477-M482 VanDerWaalsContact O-C 3.32Å; S477-M482 WeakPolarHBondContact O-CA 3.47Å; S477-M482 PolarHBondContact O-N 3.26Å; S477-M482 VanDerWaalsContact O-O 3.13Å; S477-M482 PolarHBondContact OG-O 3.35Å; M482-I484 HydrophobicContact CE-CD1 4.48Å; M482-I484 PolarHBondContact O-N 3.35Å; M482-C563 HydrophobicContact CE-CB 3.89Å; M482-I566 HydrophobicContact CE-CB 4.02Å; M482-I566 HydrophobicContact CE-CG2 3.83Å; M482-I566 HydrophobicContact SD-CB 4.03Å; M482-I566 HydrophobicContact SD-CG2 3.72Å; M482-N567 HydrophobicContact CG-CB 4.43Å; M482-N567 VanDerWaalsContact SD-CA 3.55Å; M482-N567 HydrophobicContact SD-CB 3.6Å; M482-N567 PolarHBondContact SD-N 3.5Å; M482-N567 VanDerWaalsContact SD-N 3.42Å
483	P	98	Very high	97.6	Very high	44 Å²	44	53.1 Å²	53.1	29%	0.286	27%	0.273	S	S	.	.			trans	-64.8	127.2	-172.7	26.6	-33.4	0	0	0	110.9	E446 I447 G481	E446-P483 HydrophobicContact CB-CG 4.22Å; E446-P483 HydrophobicContact CG-CG 4.2Å; I447-P483 PolarHBondContact N-O 2.87Å; G481-P483 VanDerWaalsContact C-CD 3.47Å; G481-P483 WeakPolarHBondContact O-CD 3.21Å
484	I	98.5	Very high	97.5	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.046	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-95.1	105.6	168	-65.3	167	0	0	0	107.4	I447 W450 L473 R474 S477 M482	I447-I484 HydrophobicContact CB-CG1 4.04Å; I447-I484 HydrophobicContact CD1-CD1 4.45Å; I447-I484 HydrophobicContact CD1-CG1 3.85Å; I447-I484 HydrophobicContact CG1-CG1 4.32Å; W450-I484 HydrophobicContact CD2-CG2 4.25Å; W450-I484 VanDerWaalsContact CE2-CG2 3.49Å; W450-I484 HydrophobicContact CG-CG2 4.5Å; W450-I484 HydrophobicContact CZ2-CG2 3.78Å; W450-I484 VanDerWaalsContact NE1-CG2 3.29Å; L473-I484 HydrophobicContact CD2-CD1 4.3Å; L473-I484 HydrophobicContact CG-CD1 4.06Å; R474-I484 HydrophobicContact CG-CB 3.93Å; R474-I484 HydrophobicContact CG-CG2 3.81Å; R474-I484 PolarHBondContact NE-O 2.95Å; S477-I484 WeakPolarHBondContact OG-CD1 3.35Å; S477-I484 WeakPolarHBondContact OG-CG1 3.46Å; S477-I484 PolarHBondContact OG-N 2.75Å; M482-I484 HydrophobicContact CE-CD1 4.48Å; M482-I484 PolarHBondContact O-N 3.35Å
485	Q	95.6	Very high	97.2	Very high	92 Å²	92	57.8 Å²	57.8	43%	0.43	30%	0.3	S	S	.	.			trans	-78.2	139.8	179.5	-62.1	-161.3	-10.6	0	0	110.8	E446 I447	E446-Q485 VanDerWaalsContact CD-NE2 3.33Å; E446-Q485 HydrophobicContact CG-CG 4.24Å; E446-Q485 PolarHBondContact OE1-NE2 2.76Å; I447-Q485 PolarHBondContact O-N 2.78Å
486	G	93.3	Very high	96.9	Very high	41 Å²	41	53.8 Å²	53.8	42%	0.423	30%	0.295	S	S	.	.	S	Bend	trans	61.9	-170.2	175.3	0	0	0	0	0	115.7	R474	R474-G486 PolarHBondContact NE-O 2.87Å
487	Q	97.4	Very high	96.7	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	30%	0.297	S	S	.	.	S	Bend	trans	-88.7	162.4	170.7	-71.1	-61.5	-26.8	0	0	109.6	C489	Q487-C489 PolarHBondContact O-N 2.91Å
488	P	97.9	Very high	96.6	Very high	24 Å²	24	59 Å²	59	16%	0.156	33%	0.326	C	S	.	.			trans	-61.5	141.3	177.3	26	-32.9	0	0	0	110.5	W450 I452 F490 C491	W450-P488 HydrophobicContact CD2-CB 3.98Å; W450-P488 HydrophobicContact CE3-CB 3.87Å; W450-P488 HydrophobicContact CH2-CB 3.76Å; W450-P488 HydrophobicContact CH2-CG 3.84Å; W450-P488 HydrophobicContact CZ2-CB 3.87Å; W450-P488 VanDerWaalsContact CZ2-CD 3.43Å; W450-P488 HydrophobicContact CZ2-CG 4.1Å; W450-P488 HydrophobicContact CZ3-CB 3.78Å; W450-P488 HydrophobicContact CZ3-CG 4.21Å; W450-P488 CarbonylContact O-C 3.52Å; W450-P488 VanDerWaalsContact O-CA 3.23Å; W450-P488 WeakPolarHBondContact O-CA 3.34Å; W450-P488 WeakPolarHBondContact O-CB 3.35Å; I452-P488 HydrophobicContact CD1-CG 4.07Å; I452-P488 HydrophobicContact CG1-CB 4.19Å; I452-P488 HydrophobicContact CG1-CG 4.24Å; P488-F490 PolarHBondContact O-N 2.8Å; P488-C491 HydrophobicContact CG-CB 4.28Å
489	C	98.1	Very high	96.5	Very high	47 Å²	47	53.5 Å²	53.5	32%	0.318	31%	0.307	S	S	.	.	S	Bend	trans	-68.8	-18.2	177.8	67.4	0	0	0	0	112.5	V449 W450 Q487 Y511	V449-C489 HydrophobicContact CG1-CB 4.4Å; W450-C489 PolarHBondContact O-N 2.77Å; W450-C489 PolarHBondContact O-SG 3.36Å; Q487-C489 PolarHBondContact O-N 2.91Å; C489-Y511 HydrophobicContact CB-CD1 3.67Å; C489-Y511 HydrophobicContact CB-CE1 3.81Å; C489-Y511 HydrophobicContact CB-CG 4.49Å; C489-Y511 WeakPolarHBondContact O-CE1 3.08Å; C489-Y511 PolarHBondContact O-OH 2.87Å; C489-Y511 WeakPolarHBondContact SG-CD1 3.21Å
490	F	98.3	Very high	96.6	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134	176.9	178.3	-87.1	0	0	0	110.4	A451 I452 P488 K492 M503 L507 Y511	A451-F490 CarbonylContact C-O 3.57Å; A451-F490 WeakPolarHBondContact CA-O 3.25Å; A451-F490 HydrophobicContact CB-CB 3.97Å; A451-F490 HydrophobicContact CB-CD1 4.42Å; I452-F490 PolarHBondContact N-O 3.28Å; P488-F490 PolarHBondContact O-N 2.8Å; F490-K492 HydrophobicContact CD1-CB 4.49Å; F490-K492 HydrophobicContact CD1-CG 4.45Å; F490-K492 HydrophobicContact CD2-CG 4.32Å; F490-K492 HydrophobicContact CE1-CB 3.61Å; F490-K492 HydrophobicContact CE1-CG 3.77Å; F490-K492 HydrophobicContact CE2-CB 4.33Å; F490-K492 HydrophobicContact CE2-CG 3.61Å; F490-K492 HydrophobicContact CZ-CB 3.52Å; F490-K492 HydrophobicContact CZ-CG 3.31Å; F490-M503 HydrophobicContact CE1-CE 4.33Å; F490-M503 HydrophobicContact CE1-CG 4.3Å; F490-M503 HydrophobicContact CE1-SD 4.01Å; F490-M503 HydrophobicContact CZ-CE 4.27Å; F490-M503 HydrophobicContact CZ-CG 4.35Å; F490-M503 HydrophobicContact CZ-SD 4.39Å; F490-L507 HydrophobicContact CB-CD2 3.68Å; F490-L507 HydrophobicContact CD1-CD1 4.49Å; F490-L507 HydrophobicContact CD1-CD2 3.67Å; F490-L507 HydrophobicContact CD2-CD2 4Å; F490-L507 HydrophobicContact CE1-CD2 4.2Å; F490-L507 HydrophobicContact CE2-CD2 4.5Å; F490-L507 HydrophobicContact CG-CD2 3.53Å; F490-Y511 HydrophobicContact CB-CE2 4.01Å; F490-Y511 HydrophobicContact CD2-CE2 4.19Å; F490-Y511 HydrophobicContact CG-CE2 4.46Å
491	C	98	Very high	96.6	Very high	56 Å²	56	51 Å²	51	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	108.9	173.3	-171.5	0	0	0	0	109.5	I452 P488	I452-C491 HydrophobicContact CB-CB 4.37Å; I452-C491 WeakPolarHBondContact O-CA 3.29Å; P488-C491 HydrophobicContact CG-CB 4.28Å
492	K	97.7	Very high	96.6	Very high	126 Å²	126	54 Å²	54	55%	0.548	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.6	179.7	-68.3	-68	-177.3	178.1	0	112.7	I452 C454 F490	I452-K492 PolarHBondContact O-N 2.86Å; C454-K492 PolarHBondContact N-O 2.68Å; F490-K492 HydrophobicContact CD1-CB 4.49Å; F490-K492 HydrophobicContact CD1-CG 4.45Å; F490-K492 HydrophobicContact CD2-CG 4.32Å; F490-K492 HydrophobicContact CE1-CB 3.61Å; F490-K492 HydrophobicContact CE1-CG 3.77Å; F490-K492 HydrophobicContact CE2-CB 4.33Å; F490-K492 HydrophobicContact CE2-CG 3.61Å; F490-K492 HydrophobicContact CZ-CB 3.52Å; F490-K492 HydrophobicContact CZ-CG 3.31Å
493	Y	97.8	Very high	96.6	Very high	60 Å²	60	55.4 Å²	55.4	24%	0.235	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	148.7	169	-62.8	-86.7	0	0	0	111.1	C454 Q458 C461 R462 E463 L466	C454-Y493 HydrophobicContact CB-CD1 3.73Å; C454-Y493 HydrophobicContact CB-CE1 3.97Å; C454-Y493 HydrophobicContact CB-CG 4.45Å; C454-Y493 CarbonylContact O-C 3.45Å; C454-Y493 VanDerWaalsContact O-CA 3.23Å; C454-Y493 WeakPolarHBondContact O-CA 3.48Å; Q458-Y493 HydrophobicContact CB-CD1 4.16Å; Q458-Y493 HydrophobicContact CB-CE1 3.96Å; Q458-Y493 HydrophobicContact CB-CE2 4.44Å; Q458-Y493 HydrophobicContact CB-CG 4.49Å; Q458-Y493 HydrophobicContact CG-CD2 4.47Å; Q458-Y493 HydrophobicContact CG-CE1 4.12Å; Q458-Y493 HydrophobicContact CG-CE2 3.95Å; C461-Y493 VanDerWaalsContact O-CE1 3.23Å; C461-Y493 WeakPolarHBondContact O-CE1 3.45Å; C461-Y493 PolarHBondContact O-OH 2.94Å; R462-Y493 VanDerWaalsContact C-OH 3.28Å; E463-Y493 HydrophobicContact CG-CE2 3.96Å; E463-Y493 WeakPolarHBondContact CG-OH 3.41Å; E463-Y493 PolarHBondContact N-OH 2.98Å; L466-Y493 HydrophobicContact CD1-CE1 4.23Å; L466-Y493 HydrophobicContact CD1-CE2 4.5Å; L466-Y493 WeakPolarHBondContact CD1-OH 3.18Å
494	A	96.6	Very high	96.7	Very high	14 Å²	14	53.3 Å²	53.3	12%	0.116	30%	0.301	C	S	.	.			trans	-145.8	164.3	173.6	0	0	0	0	0	110.7	C454 F455 M503	C454-A494 PolarHBondContact O-N 2.89Å; F455-A494 WeakPolarHBondContact CA-O 3.36Å; F455-A494 HydrophobicContact CD1-CB 3.94Å; F455-A494 HydrophobicContact CE1-CB 3.65Å; F455-A494 HydrophobicContact CE2-CB 4.36Å; F455-A494 HydrophobicContact CG-CB 4.43Å; F455-A494 HydrophobicContact CZ-CB 3.85Å; A494-M503 HydrophobicContact CB-CE 3.65Å
495	Q	92.8	Very high	96.7	Very high	156 Å²	156	58 Å²	58	73%	0.729	32%	0.318	S	S	*	.			trans	-137.6	150.2	176.1	-64.5	-170.8	3.9	0	0	110.8	S499	Q495-S499 WeakPolarHBondContact O-CB 3.46Å; Q495-S499 PolarHBondContact O-OG 3.41Å
496	G	91.5	Very high	96.8	Very high	43 Å²	43	58 Å²	58	44%	0.443	32%	0.317	S	S	.	.	S	Bend	trans	73.1	164.5	179.1	0	0	0	0	0	114.2	F455 S499	F455-G496 WeakPolarHBondContact CE1-O 3.38Å; G496-S499 PolarHBondContact O-OG 3.48Å; G496-S499 VanDerWaalsContact O-OG 3.12Å
497	A	94.1	Very high	97	Very high	21 Å²	21	56 Å²	56	17%	0.174	30%	0.297	C	S	.	.	S	Bend	trans	-72.7	-30.6	176.3	0	0	0	0	0	111.8	S499 V500 V527 E530	A497-S499 PolarHBondContact O-N 3.18Å; A497-V500 WeakPolarHBondContact O-CB 3.39Å; A497-V500 VanDerWaalsContact O-CG2 3.25Å; A497-V500 WeakPolarHBondContact O-CG2 3.29Å; A497-V500 PolarHBondContact O-N 3.31Å; A497-V500 VanDerWaalsContact O-N 3.1Å; A497-V527 HydrophobicContact CB-CG2 4.47Å; A497-E530 HydrophobicContact CB-CB 4.07Å; A497-E530 HydrophobicContact CB-CG 4.23Å; A497-E530 WeakPolarHBondContact O-CG 3.48Å
498	D	94.7	Very high	97.1	Very high	116 Å²	116	55 Å²	55	62%	0.62	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.7	-173.2	-58.6	-47.9	0	0	0	114.2	V500 P502 K819	D498-V500 VanDerWaalsContact C-N 3.33Å; D498-P502 WeakPolarHBondContact O-CD 3.42Å; D498-K819 IonicContact OD1-NZ 3.77Å; D498-K819 PolarHBondContact OD1-NZ 2.82Å; D498-K819 VanDerWaalsContact OD1-NZ 3.16Å
499	S	96.8	Very high	97.1	Very high	33 Å²	33	60.3 Å²	60.3	23%	0.231	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12	174.4	58.6	0	0	0	0	113.9	F455 Q495 G496 A497 M503	F455-S499 VanDerWaalsContact CE1-OG 3.31Å; F455-S499 WeakPolarHBondContact CE1-OG 3.41Å; Q495-S499 WeakPolarHBondContact O-CB 3.46Å; Q495-S499 PolarHBondContact O-OG 3.41Å; G496-S499 PolarHBondContact O-OG 3.48Å; G496-S499 VanDerWaalsContact O-OG 3.12Å; A497-S499 PolarHBondContact O-N 3.18Å; S499-M503 WeakPolarHBondContact O-CB 3.3Å; S499-M503 PolarHBondContact O-N 3.12Å
500	V	97.9	Very high	97.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-53.5	-177.6	176.1	0	0	0	0	111.5	F455 A497 D498 M503 F504 V527 E530 V531 V534	F455-V500 HydrophobicContact CE1-CG2 3.71Å; F455-V500 HydrophobicContact CE2-CG2 4.46Å; F455-V500 HydrophobicContact CZ-CB 4.41Å; F455-V500 HydrophobicContact CZ-CG2 3.55Å; A497-V500 WeakPolarHBondContact O-CB 3.39Å; A497-V500 VanDerWaalsContact O-CG2 3.25Å; A497-V500 WeakPolarHBondContact O-CG2 3.29Å; A497-V500 PolarHBondContact O-N 3.31Å; A497-V500 VanDerWaalsContact O-N 3.1Å; D498-V500 VanDerWaalsContact C-N 3.33Å; V500-M503 PolarHBondContact O-N 2.8Å; V500-F504 HydrophobicContact CG1-CD1 4.44Å; V500-F504 HydrophobicContact CG1-CD2 4.44Å; V500-F504 HydrophobicContact CG1-CE1 4.33Å; V500-F504 HydrophobicContact CG1-CE2 4.29Å; V500-F504 HydrophobicContact CG1-CZ 4.26Å; V500-F504 WeakPolarHBondContact O-CB 3.28Å; V500-F504 WeakPolarHBondContact O-CD1 3.46Å; V500-F504 WeakPolarHBondContact O-CG 3.43Å; V500-F504 PolarHBondContact O-N 2.82Å; V500-V527 HydrophobicContact CG2-CG1 3.94Å; V500-E530 HydrophobicContact CB-CG 3.85Å; V500-E530 HydrophobicContact CG1-CG 4.15Å; V500-E530 HydrophobicContact CG2-CB 4.39Å; V500-E530 HydrophobicContact CG2-CG 4.07Å; V500-V531 HydrophobicContact CG1-CB 4.44Å; V500-V531 HydrophobicContact CG1-CG2 3.86Å; V500-V531 HydrophobicContact CG2-CG2 3.95Å; V500-V534 HydrophobicContact CG1-CB 4.08Å; V500-V534 HydrophobicContact CG1-CG1 4.44Å; V500-V534 HydrophobicContact CG1-CG2 4Å
501	E	98	Very high	97	Very high	46 Å²	46	63.2 Å²	63.2	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-49.3	-174.8	-177	175	155.4	0	0	112.9	M503 F504 R505 R533 V534 L538	E501-M503 VanDerWaalsContact C-N 3.32Å; E501-M503 PolarHBondContact O-N 3.42Å; E501-F504 PolarHBondContact O-N 2.92Å; E501-R505 HydrophobicContact CG-CG 4.41Å; E501-R505 WeakPolarHBondContact O-CG 3.41Å; E501-R505 PolarHBondContact O-N 3.46Å; E501-R505 IonicContact OE1-CZ 2.84Å; E501-R505 VanDerWaalsContact OE1-CZ 3.28Å; E501-R505 IonicContact OE1-NE 3.9Å; E501-R505 PolarHBondContact OE1-NE 3.42Å; E501-R505 IonicContact OE1-NH2 3.86Å; E501-R505 PolarHBondContact OE1-NH2 3.39Å; E501-R533 IonicContact OE2-CZ 3.05Å; E501-R533 IonicContact OE2-NH2 2.83Å; E501-R533 PolarHBondContact OE2-NH2 3.35Å; E501-V534 HydrophobicContact CB-CG1 4.35Å; E501-V534 HydrophobicContact CB-CG2 3.81Å; E501-V534 HydrophobicContact CG-CG1 4.42Å; E501-V534 HydrophobicContact CG-CG2 4.32Å; E501-L538 HydrophobicContact CG-CD2 3.88Å; E501-L538 WeakPolarHBondContact OE1-CD2 3.26Å; E501-L538 WeakPolarHBondContact OE2-CD2 3.15Å
502	P	98.3	Very high	97	Very high	81 Å²	81	66.1 Å²	66.1	53%	0.526	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-43.8	176.8	-24.4	35	0	0	0	112.4	D498 R505 H506	D498-P502 WeakPolarHBondContact O-CD 3.42Å; P502-R505 PolarHBondContact O-N 3.01Å; P502-H506 WeakPolarHBondContact O-CB 3.41Å; P502-H506 PolarHBondContact O-N 3.28Å
503	M	98.4	Very high	96.9	Very high	29 Å²	29	62.8 Å²	62.8	14%	0.143	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-44.6	178.6	-179.3	176.9	-71.3	0	0	111.7	A453 F490 A494 S499 V500 E501 H506 L507	A453-M503 HydrophobicContact CB-SD 3.64Å; F490-M503 HydrophobicContact CE1-CE 4.33Å; F490-M503 HydrophobicContact CE1-CG 4.3Å; F490-M503 HydrophobicContact CE1-SD 4.01Å; F490-M503 HydrophobicContact CZ-CE 4.27Å; F490-M503 HydrophobicContact CZ-CG 4.35Å; F490-M503 HydrophobicContact CZ-SD 4.39Å; A494-M503 HydrophobicContact CB-CE 3.65Å; S499-M503 WeakPolarHBondContact O-CB 3.3Å; S499-M503 PolarHBondContact O-N 3.12Å; V500-M503 PolarHBondContact O-N 2.8Å; E501-M503 VanDerWaalsContact C-N 3.32Å; E501-M503 PolarHBondContact O-N 3.42Å; M503-H506 PolarHBondContact O-N 3.42Å; M503-L507 HydrophobicContact CG-CD1 4.14Å; M503-L507 HydrophobicContact CG-CG 4.48Å; M503-L507 WeakPolarHBondContact O-CB 3.43Å; M503-L507 VanDerWaalsContact O-CG 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.49Å; M503-L507 PolarHBondContact O-N 3.03Å
504	F	98.6	Very high	96.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-70.7	-36	-178.4	-78.5	24.5	0	0	0	112.2	V500 E501 L507 K508 I517 V519 V531 V534 L539 M541 T543	V500-F504 HydrophobicContact CG1-CD1 4.44Å; V500-F504 HydrophobicContact CG1-CD2 4.44Å; V500-F504 HydrophobicContact CG1-CE1 4.33Å; V500-F504 HydrophobicContact CG1-CE2 4.29Å; V500-F504 HydrophobicContact CG1-CZ 4.26Å; V500-F504 WeakPolarHBondContact O-CB 3.28Å; V500-F504 WeakPolarHBondContact O-CD1 3.46Å; V500-F504 WeakPolarHBondContact O-CG 3.43Å; V500-F504 PolarHBondContact O-N 2.82Å; E501-F504 PolarHBondContact O-N 2.92Å; F504-L507 HydrophobicContact CD1-CD1 4.35Å; F504-L507 PolarHBondContact O-N 3.26Å; F504-K508 WeakPolarHBondContact O-CB 3.38Å; F504-K508 PolarHBondContact O-N 3.41Å; F504-I517 HydrophobicContact CD1-CD1 3.91Å; F504-I517 HydrophobicContact CD2-CD1 4.05Å; F504-I517 HydrophobicContact CE1-CD1 3.95Å; F504-I517 HydrophobicContact CE1-CG2 4.05Å; F504-I517 HydrophobicContact CE2-CD1 4.13Å; F504-I517 HydrophobicContact CG-CD1 3.95Å; F504-I517 HydrophobicContact CZ-CD1 4.06Å; F504-I517 HydrophobicContact CZ-CG2 4.2Å; F504-V519 HydrophobicContact CE1-CG2 4.47Å; F504-V519 HydrophobicContact CZ-CG2 3.96Å; F504-V531 HydrophobicContact CE2-CG1 4.26Å; F504-V531 HydrophobicContact CZ-CG1 4.06Å; F504-V531 HydrophobicContact CZ-CG2 4.36Å; F504-V534 HydrophobicContact CB-CG1 3.82Å; F504-V534 HydrophobicContact CD2-CB 4.3Å; F504-V534 HydrophobicContact CD2-CG1 3.65Å; F504-V534 HydrophobicContact CG-CG1 4.06Å; F504-L539 HydrophobicContact CB-CD1 3.6Å; F504-M541 HydrophobicContact CB-SD 4.25Å; F504-T543 HydrophobicContact CE2-CG2 3.57Å; F504-T543 HydrophobicContact CZ-CG2 3.95Å
505	R	98.5	Very high	97	Very high	108 Å²	108	63.6 Å²	63.6	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-45.7	172.1	-74.5	-177.8	-175.1	-88.5	5	111.2	E501 P502 K508 N509 L539	E501-R505 HydrophobicContact CG-CG 4.41Å; E501-R505 WeakPolarHBondContact O-CG 3.41Å; E501-R505 PolarHBondContact O-N 3.46Å; E501-R505 IonicContact OE1-CZ 2.84Å; E501-R505 VanDerWaalsContact OE1-CZ 3.28Å; E501-R505 IonicContact OE1-NE 3.9Å; E501-R505 PolarHBondContact OE1-NE 3.42Å; E501-R505 IonicContact OE1-NH2 3.86Å; E501-R505 PolarHBondContact OE1-NH2 3.39Å; P502-R505 PolarHBondContact O-N 3.01Å; R505-K508 PolarHBondContact O-N 3.44Å; R505-N509 WeakPolarHBondContact O-CB 3.42Å; R505-N509 VanDerWaalsContact O-CG 3.29Å; R505-N509 PolarHBondContact O-N 3.39Å; R505-N509 VanDerWaalsContact O-N 3.1Å; R505-N509 PolarHBondContact O-ND2 3Å; R505-L539 HydrophobicContact CG-CD1 3.9Å; R505-L539 HydrophobicContact CG-CD2 4.02Å
506	H	98.3	Very high	97.3	Very high	91 Å²	91	56.2 Å²	56.2	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-57.7	-50.2	174	174.9	70.1	0	0	0	111.1	P502 M503 K508 N509 T510	P502-H506 WeakPolarHBondContact O-CB 3.41Å; P502-H506 PolarHBondContact O-N 3.28Å; M503-H506 PolarHBondContact O-N 3.42Å; H506-K508 VanDerWaalsContact C-N 3.34Å; H506-K508 PolarHBondContact O-N 3.29Å; H506-N509 PolarHBondContact O-N 3.17Å; H506-T510 PolarHBondContact CE1-OG1 3.32Å; H506-T510 PolarHBondContact ND1-OG1 2.81Å; H506-T510 VanDerWaalsContact O-CB 3.27Å; H506-T510 WeakPolarHBondContact O-CB 3.46Å; H506-T510 PolarHBondContact O-N 3.21Å; H506-T510 PolarHBondContact O-OG1 2.93Å
507	L	98.4	Very high	97.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.9	-44.6	178.6	-74.3	173.6	0	0	0	112.9	A451 F490 M503 F504 N509 Y511 L514 I517 M541	A451-L507 HydrophobicContact CB-CD1 4.28Å; A451-L507 HydrophobicContact CB-CD2 3.98Å; F490-L507 HydrophobicContact CB-CD2 3.68Å; F490-L507 HydrophobicContact CD1-CD1 4.49Å; F490-L507 HydrophobicContact CD1-CD2 3.67Å; F490-L507 HydrophobicContact CD2-CD2 4Å; F490-L507 HydrophobicContact CE1-CD2 4.2Å; F490-L507 HydrophobicContact CE2-CD2 4.5Å; F490-L507 HydrophobicContact CG-CD2 3.53Å; M503-L507 HydrophobicContact CG-CD1 4.14Å; M503-L507 HydrophobicContact CG-CG 4.48Å; M503-L507 WeakPolarHBondContact O-CB 3.43Å; M503-L507 VanDerWaalsContact O-CG 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.49Å; M503-L507 PolarHBondContact O-N 3.03Å; F504-L507 HydrophobicContact CD1-CD1 4.35Å; F504-L507 PolarHBondContact O-N 3.26Å; L507-N509 VanDerWaalsContact C-N 3.35Å; L507-N509 PolarHBondContact O-N 2.97Å; L507-Y511 HydrophobicContact CD2-CD2 3.81Å; L507-Y511 HydrophobicContact CD2-CE2 3.76Å; L507-Y511 PolarHBondContact O-N 3Å; L507-L514 HydrophobicContact CB-CD2 3.82Å; L507-I517 HydrophobicContact CB-CD1 4.5Å; L507-I517 HydrophobicContact CD1-CD1 3.67Å; L507-I517 HydrophobicContact CD1-CG1 4.14Å; L507-I517 HydrophobicContact CD1-CG2 4.37Å; L507-M541 HydrophobicContact CB-CE 4.31Å
508	K	97.8	Very high	97.9	Very high	79 Å²	79	53.2 Å²	53.2	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-39.3	179.3	-170.7	171.1	179.6	174	0	112.4	F504 R505 H506 L539 M541	F504-K508 WeakPolarHBondContact O-CB 3.38Å; F504-K508 PolarHBondContact O-N 3.41Å; R505-K508 PolarHBondContact O-N 3.44Å; H506-K508 VanDerWaalsContact C-N 3.34Å; H506-K508 PolarHBondContact O-N 3.29Å; K508-L539 HydrophobicContact CD-CB 4.29Å; K508-L539 PolarHBondContact NZ-O 2.97Å; K508-M541 HydrophobicContact CB-CE 3.84Å; K508-M541 HydrophobicContact CB-SD 3.82Å; K508-M541 HydrophobicContact CD-CG 4.39Å; K508-M541 HydrophobicContact CD-SD 4.29Å; K508-M541 HydrophobicContact CG-CE 4.46Å; K508-M541 HydrophobicContact CG-SD 4.34Å
509	N	98	Very high	98.1	Very high	135 Å²	135	47.7 Å²	47.7	72%	0.722	26%	0.264	S	S	*	.	H	α-helix	trans	-84.1	-29.6	-175.4	-66.2	-11.4	0	0	0	112.8	R505 H506 L507	R505-N509 WeakPolarHBondContact O-CB 3.42Å; R505-N509 VanDerWaalsContact O-CG 3.29Å; R505-N509 PolarHBondContact O-N 3.39Å; R505-N509 VanDerWaalsContact O-N 3.1Å; R505-N509 PolarHBondContact O-ND2 3Å; H506-N509 PolarHBondContact O-N 3.17Å; L507-N509 VanDerWaalsContact C-N 3.35Å; L507-N509 PolarHBondContact O-N 2.97Å
510	T	98.3	Very high	98.2	Very high	73 Å²	73	46.1 Å²	46.1	45%	0.448	25%	0.253	S	S	.	.	H	α-helix	trans	-89.4	-37.2	-174.2	-60.3	0	0	0	0	112.9	H506	H506-T510 PolarHBondContact CE1-OG1 3.32Å; H506-T510 PolarHBondContact ND1-OG1 2.81Å; H506-T510 VanDerWaalsContact O-CB 3.27Å; H506-T510 WeakPolarHBondContact O-CB 3.46Å; H506-T510 PolarHBondContact O-N 3.21Å; H506-T510 PolarHBondContact O-OG1 2.93Å
511	Y	97.9	Very high	98.2	Very high	60 Å²	60	46.5 Å²	46.5	24%	0.235	26%	0.255	C	S	.	.	S	Bend	trans	-109.1	93	-173.8	-58.5	-84.3	0	0	0	110.7	C489 F490 L507 G513 L514	C489-Y511 HydrophobicContact CB-CD1 3.67Å; C489-Y511 HydrophobicContact CB-CE1 3.81Å; C489-Y511 HydrophobicContact CB-CG 4.49Å; C489-Y511 WeakPolarHBondContact O-CE1 3.08Å; C489-Y511 PolarHBondContact O-OH 2.87Å; C489-Y511 WeakPolarHBondContact SG-CD1 3.21Å; F490-Y511 HydrophobicContact CB-CE2 4.01Å; F490-Y511 HydrophobicContact CD2-CE2 4.19Å; F490-Y511 HydrophobicContact CG-CE2 4.46Å; L507-Y511 HydrophobicContact CD2-CD2 3.81Å; L507-Y511 HydrophobicContact CD2-CE2 3.76Å; L507-Y511 PolarHBondContact O-N 3Å; Y511-G513 PolarHBondContact O-N 2.85Å; Y511-L514 WeakPolarHBondContact O-CB 3.26Å; Y511-L514 PolarHBondContact O-N 2.89Å
512	S	96.7	Very high	98	Very high	118 Å²	118	46.8 Å²	46.8	83%	0.825	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	135.6	174.6	-173.6	0	0	0	0	111	L514	S512-L514 VanDerWaalsContact C-N 3.31Å; S512-L514 PolarHBondContact O-N 2.81Å
513	G	95.5	Very high	97.7	Very high	56 Å²	56	44.1 Å²	44.1	58%	0.577	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	15.1	-178.9	0	0	0	0	0	115.2	Y511 Q515	Y511-G513 PolarHBondContact O-N 2.85Å; G513-Q515 WeakPolarHBondContact O-CG 3.13Å; G513-Q515 PolarHBondContact O-N 3.35Å; G513-Q515 VanDerWaalsContact O-N 3.16Å
514	L	98.4	Very high	97.3	Very high	33 Å²	33	51 Å²	51	17%	0.173	28%	0.278	C	S	.	.			trans	-55.4	117.4	176.2	178.2	62.2	0	0	0	111.9	V449 A451 L507 Y511 S512 I517 M541	V449-L514 HydrophobicContact CG1-CB 4.28Å; V449-L514 HydrophobicContact CG1-CD1 4.17Å; A451-L514 HydrophobicContact CB-CD1 4.22Å; L507-L514 HydrophobicContact CB-CD2 3.82Å; Y511-L514 WeakPolarHBondContact O-CB 3.26Å; Y511-L514 PolarHBondContact O-N 2.89Å; S512-L514 VanDerWaalsContact C-N 3.31Å; S512-L514 PolarHBondContact O-N 2.81Å; L514-I517 HydrophobicContact CD2-CD1 4.43Å; L514-I517 HydrophobicContact CD2-CG1 4.19Å; L514-M541 HydrophobicContact CD2-CE 3.45Å; L514-M541 VanDerWaalsContact CD2-CE 3.45Å; L514-M541 HydrophobicContact CG-CE 4.38Å
515	Q	98.6	Very high	96.9	Very high	57 Å²	57	52.7 Å²	52.7	27%	0.266	29%	0.288	S	S	.	.			trans	-93	-38	-175.8	-65.3	169.7	-83.9	0	0	112.6	E446 V449 G513 A542 L570	E446-Q515 PolarHBondContact O-NE2 3.03Å; V449-Q515 WeakPolarHBondContact O-CB 3.2Å; V449-Q515 PolarHBondContact O-N 2.96Å; G513-Q515 WeakPolarHBondContact O-CG 3.13Å; G513-Q515 PolarHBondContact O-N 3.35Å; G513-Q515 VanDerWaalsContact O-N 3.16Å; Q515-A542 WeakPolarHBondContact O-CB 3.15Å; Q515-L570 HydrophobicContact CB-CD2 4.22Å; Q515-L570 WeakPolarHBondContact O-CD2 3.28Å
516	L	98.8	Very high	96.6	Very high	2 Å²	2	52 Å²	52	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	139.8	-169.3	-178.3	69.1	0	0	0	112.7	W450 A451 I518 A542 Q544 I566 L570	W450-L516 CarbonylContact C-O 3.6Å; W450-L516 VanDerWaalsContact CA-O 3.28Å; W450-L516 WeakPolarHBondContact CA-O 3.47Å; W450-L516 HydrophobicContact CB-CB 4.23Å; A451-L516 PolarHBondContact N-O 3.4Å; L516-I518 HydrophobicContact CD2-CD1 4.24Å; L516-I518 HydrophobicContact CD2-CG1 3.82Å; L516-I518 HydrophobicContact CG-CG1 4.23Å; L516-A542 HydrophobicContact CD1-CB 4.42Å; L516-Q544 HydrophobicContact CD1-CB 4.07Å; L516-I566 HydrophobicContact CD2-CD1 4.2Å; L516-I566 HydrophobicContact CD2-CG1 4.23Å; L516-I566 HydrophobicContact CD2-CG2 3.68Å; L516-L570 HydrophobicContact CB-CD2 4.44Å
517	I	98.9	Very high	96.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.5	163.1	-51.5	172.3	0	0	0	109.4	A453 F504 L507 L514 V519 M541 A542 T543 Q544	A453-I517 HydrophobicContact CB-CG2 4.27Å; F504-I517 HydrophobicContact CD1-CD1 3.91Å; F504-I517 HydrophobicContact CD2-CD1 4.05Å; F504-I517 HydrophobicContact CE1-CD1 3.95Å; F504-I517 HydrophobicContact CE1-CG2 4.05Å; F504-I517 HydrophobicContact CE2-CD1 4.13Å; F504-I517 HydrophobicContact CG-CD1 3.95Å; F504-I517 HydrophobicContact CZ-CD1 4.06Å; F504-I517 HydrophobicContact CZ-CG2 4.2Å; L507-I517 HydrophobicContact CB-CD1 4.5Å; L507-I517 HydrophobicContact CD1-CD1 3.67Å; L507-I517 HydrophobicContact CD1-CG1 4.14Å; L507-I517 HydrophobicContact CD1-CG2 4.37Å; L514-I517 HydrophobicContact CD2-CD1 4.43Å; L514-I517 HydrophobicContact CD2-CG1 4.19Å; I517-V519 HydrophobicContact CG2-CG2 3.88Å; I517-M541 HydrophobicContact CD1-CE 3.6Å; I517-M541 HydrophobicContact CD1-SD 4.22Å; I517-M541 HydrophobicContact CG1-CE 4.38Å; I517-A542 PolarHBondContact N-O 2.65Å; I517-T543 HydrophobicContact CB-CG2 4.3Å; I517-T543 WeakPolarHBondContact O-CA 3.39Å; I517-Q544 PolarHBondContact O-N 3.35Å
518	I	98.9	Very high	96.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.7	168	-63.4	-177.9	0	0	0	108.4	W450 A451 I452 A453 F469 L473 L516 Q544 V546	W450-I518 HydrophobicContact CE3-CD1 4.13Å; W450-I518 HydrophobicContact CZ3-CD1 3.98Å; A451-I518 PolarHBondContact O-N 2.93Å; I452-I518 WeakPolarHBondContact CA-O 3.36Å; I452-I518 HydrophobicContact CG1-CB 4.43Å; A453-I518 PolarHBondContact N-O 3.16Å; F469-I518 HydrophobicContact CE1-CG2 4.33Å; L473-I518 HydrophobicContact CD2-CD1 3.65Å; L516-I518 HydrophobicContact CD2-CD1 4.24Å; L516-I518 HydrophobicContact CD2-CG1 3.82Å; L516-I518 HydrophobicContact CG-CG1 4.23Å; I518-Q544 WeakPolarHBondContact CA-O 3.43Å; I518-V546 HydrophobicContact CG2-CG2 4.31Å
519	V	98.9	Very high	96.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.3	-176.5	-172.9	0	0	0	0	110.5	A453 F455 F504 I517 L521 V531 Q544 C545 V546	A453-V519 CarbonylContact O-C 3.47Å; A453-V519 WeakPolarHBondContact O-CA 3.5Å; F455-V519 HydrophobicContact CD2-CG1 3.65Å; F455-V519 HydrophobicContact CE2-CG1 3.86Å; F504-V519 HydrophobicContact CE1-CG2 4.47Å; F504-V519 HydrophobicContact CZ-CG2 3.96Å; I517-V519 HydrophobicContact CG2-CG2 3.88Å; V519-L521 HydrophobicContact CG1-CD2 3.88Å; V519-L521 HydrophobicContact CG1-CG 4.41Å; V519-V531 HydrophobicContact CG1-CG2 4.03Å; V519-V531 HydrophobicContact CG2-CG1 4Å; V519-Q544 PolarHBondContact N-O 3.15Å; V519-C545 CarbonylContact O-C 3.32Å; V519-C545 WeakPolarHBondContact O-CA 3.45Å; V519-V546 PolarHBondContact O-N 3.46Å
520	I	98.7	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.6	-178.7	-58.8	169.2	0	0	0	109.3	I452 A453 C454 F455 A456 L466 V546 V548 V551	I452-I520 HydrophobicContact CG2-CD1 3.97Å; A453-I520 PolarHBondContact O-N 2.97Å; C454-I520 HydrophobicContact CB-CB 4.4Å; F455-I520 WeakPolarHBondContact CA-O 3.45Å; F455-I520 WeakPolarHBondContact CB-O 3.4Å; F455-I520 PolarHBondContact N-O 2.95Å; A456-I520 HydrophobicContact CB-CG2 4.25Å; L466-I520 HydrophobicContact CD2-CD1 3.11Å; I520-V546 WeakPolarHBondContact CA-O 3.42Å; I520-V548 HydrophobicContact CG2-CB 4.23Å; I520-V551 HydrophobicContact CD1-CG1 4.09Å; I520-V551 HydrophobicContact CD1-CG2 4.12Å; I520-V551 HydrophobicContact CG1-CG2 4.04Å; I520-V551 HydrophobicContact CG2-CG2 3.93Å
521	L	98	Very high	96.3	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.5	-173.5	-59.8	178.2	0	0	0	112	F455 V519 G523 T525 V527 Y528 C545 V546 V548	F455-L521 HydrophobicContact CB-CD2 4.22Å; V519-L521 HydrophobicContact CG1-CD2 3.88Å; V519-L521 HydrophobicContact CG1-CG 4.41Å; L521-G523 PolarHBondContact O-N 2.84Å; L521-G523 VanDerWaalsContact O-N 3.15Å; L521-T525 HydrophobicContact CB-CG2 4.22Å; L521-T525 HydrophobicContact CD1-CG2 4.41Å; L521-T525 HydrophobicContact CD2-CG2 4.16Å; L521-V527 HydrophobicContact CD2-CB 4.15Å; L521-V527 HydrophobicContact CD2-CG1 3.68Å; L521-Y528 HydrophobicContact CD1-CD2 3.87Å; L521-Y528 HydrophobicContact CD1-CG 4.4Å; L521-C545 HydrophobicContact CD1-CB 3.93Å; L521-V546 PolarHBondContact N-O 2.94Å; L521-V548 PolarHBondContact O-N 2.87Å
522	P	95.1	Very high	96.3	Very high	51 Å²	51	35.6 Å²	35.6	33%	0.331	22%	0.215	S	C	.	.	S	Bend	trans	-73.4	-2.4	-178	29.5	-35.1	0	0	0	114.3	A456	A456-P522 HydrophobicContact CB-CB 4.4Å
523	G	92.2	Very high	96.3	Very high	26 Å²	26	33 Å²	33	27%	0.268	19%	0.187	S	C	.	.	S	Bend	trans	144.6	-138.7	-175.4	0	0	0	0	0	111.3	L521	L521-G523 PolarHBondContact O-N 2.84Å; L521-G523 VanDerWaalsContact O-N 3.15Å
524	K	88.5	Confident	96.4	Very high	174 Å²	174	30.3 Å²	30.3	76%	0.757	16%	0.159	S	C	*	.	S	Bend	trans	-77.7	119.6	170.2	-170.3	177.3	-173.1	174.2	0	108.3	D357	D357-K524 IonicContact OD1-NZ 2.68Å; D357-K524 IonicContact OD2-NZ 3.67Å; D357-K524 PolarHBondContact OD2-NZ 3.48Å
525	T	91.4	Very high	96.4	Very high	35 Å²	35	28.7 Å²	28.7	22%	0.215	15%	0.151	C	C	.	.			trans	-152.5	146.8	-174.2	172.5	0	0	0	0	110.1	L521 V527 Y528	L521-T525 HydrophobicContact CB-CG2 4.22Å; L521-T525 HydrophobicContact CD1-CG2 4.41Å; L521-T525 HydrophobicContact CD2-CG2 4.16Å; T525-V527 HydrophobicContact CG2-CB 3.92Å; T525-V527 HydrophobicContact CG2-CG2 4.47Å; T525-V527 PolarHBondContact O-N 2.88Å; T525-V527 WeakPolarHBondContact OG1-CG2 3.31Å; T525-V527 PolarHBondContact OG1-N 2.88Å; T525-Y528 PolarHBondContact O-N 2.81Å
526	P	91.7	Very high	96.3	Very high	93 Å²	93	26.2 Å²	26.2	60%	0.604	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.1	173.4	25.1	-35.6	0	0	0	113	Y528 A529 E530	P526-Y528 PolarHBondContact O-N 2.97Å; P526-Y528 VanDerWaalsContact O-N 3.1Å; P526-A529 PolarHBondContact O-N 3.2Å; P526-E530 PolarHBondContact O-N 2.89Å
527	V	96	Very high	96.2	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-53.8	-33.5	177.2	178.1	0	0	0	0	112	F455 A497 V500 L521 T525 A529 E530 V531	F455-V527 HydrophobicContact CB-CG1 4.29Å; F455-V527 HydrophobicContact CD1-CG1 3.65Å; F455-V527 HydrophobicContact CD1-CG2 4.24Å; F455-V527 HydrophobicContact CD2-CG1 4.16Å; F455-V527 HydrophobicContact CE1-CG1 3.92Å; F455-V527 HydrophobicContact CE2-CG1 4.41Å; F455-V527 HydrophobicContact CG-CG1 3.78Å; F455-V527 HydrophobicContact CZ-CG1 4.31Å; A497-V527 HydrophobicContact CB-CG2 4.47Å; V500-V527 HydrophobicContact CG2-CG1 3.94Å; L521-V527 HydrophobicContact CD2-CB 4.15Å; L521-V527 HydrophobicContact CD2-CG1 3.68Å; T525-V527 HydrophobicContact CG2-CB 3.92Å; T525-V527 HydrophobicContact CG2-CG2 4.47Å; T525-V527 PolarHBondContact O-N 2.88Å; T525-V527 WeakPolarHBondContact OG1-CG2 3.31Å; T525-V527 PolarHBondContact OG1-N 2.88Å; V527-A529 PolarHBondContact O-N 3.36Å; V527-E530 PolarHBondContact O-N 3.26Å; V527-V531 HydrophobicContact CG1-CG2 3.96Å; V527-V531 WeakPolarHBondContact O-CB 3.35Å; V527-V531 WeakPolarHBondContact O-CG2 3.43Å; V527-V531 PolarHBondContact O-N 2.65Å
528	Y	97	Very high	96.1	Very high	62 Å²	62	30 Å²	30	24%	0.243	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.6	178.3	-93.2	0	0	0	112.4	L521 T525 P526 E530 V531 K532 C545 Y814	L521-Y528 HydrophobicContact CD1-CD2 3.87Å; L521-Y528 HydrophobicContact CD1-CG 4.4Å; T525-Y528 PolarHBondContact O-N 2.81Å; P526-Y528 PolarHBondContact O-N 2.97Å; P526-Y528 VanDerWaalsContact O-N 3.1Å; Y528-E530 VanDerWaalsContact C-N 3.35Å; Y528-V531 PolarHBondContact O-N 2.94Å; Y528-K532 HydrophobicContact CE1-CG 4.06Å; Y528-K532 HydrophobicContact CE2-CG 4.43Å; Y528-K532 WeakPolarHBondContact O-CG 3.27Å; Y528-K532 PolarHBondContact O-N 3.05Å; Y528-C545 HydrophobicContact CD2-CB 4.14Å; Y528-C545 HydrophobicContact CE2-CB 4.16Å; Y528-Y814 AromaticContact CD1-CD1 3.84Å; Y528-Y814 HydrophobicContact CD1-CD1 3.84Å; Y528-Y814 AromaticContact CD1-CE1 3.69Å; Y528-Y814 HydrophobicContact CD1-CE1 3.69Å; Y528-Y814 HydrophobicContact CD1-CE2 4.45Å; Y528-Y814 HydrophobicContact CD1-CG 4.27Å; Y528-Y814 HydrophobicContact CE1-CD1 4.01Å; Y528-Y814 AromaticContact CE1-CD2 3.92Å; Y528-Y814 HydrophobicContact CE1-CD2 3.92Å; Y528-Y814 AromaticContact CE1-CE1 3.94Å; Y528-Y814 HydrophobicContact CE1-CE1 3.94Å; Y528-Y814 AromaticContact CE1-CE2 3.85Å; Y528-Y814 HydrophobicContact CE1-CE2 3.85Å; Y528-Y814 AromaticContact CE1-CG 3.99Å; Y528-Y814 HydrophobicContact CE1-CG 3.99Å; Y528-Y814 AromaticContact CE1-CZ 3.85Å
529	A	95.9	Very high	96.1	Very high	11 Å²	11	30.5 Å²	30.5	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-44.4	-179.7	0	0	0	0	0	110.3	P526 V527 K532 R533 Y814 V817	P526-A529 PolarHBondContact O-N 3.2Å; V527-A529 PolarHBondContact O-N 3.36Å; A529-K532 PolarHBondContact O-N 3.47Å; A529-K532 VanDerWaalsContact O-N 3.17Å; A529-R533 PolarHBondContact O-N 2.81Å; A529-Y814 HydrophobicContact CB-CD1 4.04Å; A529-V817 HydrophobicContact CB-CB 4.16Å; A529-V817 HydrophobicContact CB-CG1 4.37Å; A529-V817 HydrophobicContact CB-CG2 4.48Å
530	E	97	Very high	96	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.051	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-41.8	179.5	-173.9	67.3	170.7	0	0	112.5	A497 V500 P526 V527 Y528 K532 R533 V534 K819	A497-E530 HydrophobicContact CB-CB 4.07Å; A497-E530 HydrophobicContact CB-CG 4.23Å; A497-E530 WeakPolarHBondContact O-CG 3.48Å; V500-E530 HydrophobicContact CB-CG 3.85Å; V500-E530 HydrophobicContact CG1-CG 4.15Å; V500-E530 HydrophobicContact CG2-CB 4.39Å; V500-E530 HydrophobicContact CG2-CG 4.07Å; P526-E530 PolarHBondContact O-N 2.89Å; V527-E530 PolarHBondContact O-N 3.26Å; Y528-E530 VanDerWaalsContact C-N 3.35Å; E530-K532 PolarHBondContact O-N 2.76Å; E530-R533 PolarHBondContact O-N 3.35Å; E530-R533 IonicContact OE1-CZ 3.73Å; E530-R533 IonicContact OE1-NE 3.65Å; E530-R533 IonicContact OE1-NH2 2.65Å; E530-R533 PolarHBondContact OE1-NH2 3.34Å; E530-R533 IonicContact OE2-CZ 2.9Å; E530-R533 IonicContact OE2-NE 3.9Å; E530-R533 PolarHBondContact OE2-NE 3.4Å; E530-R533 IonicContact OE2-NH2 3.89Å; E530-V534 HydrophobicContact CG-CG2 4.2Å; E530-V534 WeakPolarHBondContact O-CB 3.31Å; E530-V534 VanDerWaalsContact O-CG2 3.32Å; E530-V534 WeakPolarHBondContact O-CG2 3.45Å; E530-V534 PolarHBondContact O-N 2.97Å; E530-K819 WeakPolarHBondContact OE1-CE 3.35Å; E530-K819 IonicContact OE1-NZ 3.32Å; E530-K819 PolarHBondContact OE1-NZ 3.01Å
531	V	98.2	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-39.9	173.2	166.1	0	0	0	0	111.5	V500 F504 V519 V527 Y528 G535 T543	V500-V531 HydrophobicContact CG1-CB 4.44Å; V500-V531 HydrophobicContact CG1-CG2 3.86Å; V500-V531 HydrophobicContact CG2-CG2 3.95Å; F504-V531 HydrophobicContact CE2-CG1 4.26Å; F504-V531 HydrophobicContact CZ-CG1 4.06Å; F504-V531 HydrophobicContact CZ-CG2 4.36Å; V519-V531 HydrophobicContact CG1-CG2 4.03Å; V519-V531 HydrophobicContact CG2-CG1 4Å; V527-V531 HydrophobicContact CG1-CG2 3.96Å; V527-V531 WeakPolarHBondContact O-CB 3.35Å; V527-V531 WeakPolarHBondContact O-CG2 3.43Å; V527-V531 PolarHBondContact O-N 2.65Å; Y528-V531 PolarHBondContact O-N 2.94Å; V531-G535 WeakPolarHBondContact O-CA 3.49Å; V531-G535 PolarHBondContact O-N 3.37Å; V531-T543 HydrophobicContact CG1-CG2 4.25Å
532	K	97.9	Very high	96	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-76.6	-35.9	178.6	-64.9	-47.6	179.7	-174.1	0	113.2	Y528 A529 E530 D536 T543 H815	Y528-K532 HydrophobicContact CE1-CG 4.06Å; Y528-K532 HydrophobicContact CE2-CG 4.43Å; Y528-K532 WeakPolarHBondContact O-CG 3.27Å; Y528-K532 PolarHBondContact O-N 3.05Å; A529-K532 PolarHBondContact O-N 3.47Å; A529-K532 VanDerWaalsContact O-N 3.17Å; E530-K532 PolarHBondContact O-N 2.76Å; K532-D536 WeakPolarHBondContact O-CA 3.39Å; K532-D536 WeakPolarHBondContact O-CB 3.14Å; K532-D536 PolarHBondContact O-N 3.44Å; K532-T543 PolarHBondContact NZ-O 2.83Å; K532-T543 PolarHBondContact NZ-OG1 2.82Å; K532-H815 PolarHBondContact O-NE2 3.48Å
533	R	96.5	Very high	96.2	Very high	62 Å²	62	31.1 Å²	31.1	23%	0.234	17%	0.172	C	C	.	.	I	π-helix	trans	-61.5	-56.9	171.6	-170.4	-166.9	69.5	78.9	-1.1	110	E501 A529 E530 G535 T537 L538	E501-R533 IonicContact OE2-CZ 3.05Å; E501-R533 IonicContact OE2-NH2 2.83Å; E501-R533 PolarHBondContact OE2-NH2 3.35Å; A529-R533 PolarHBondContact O-N 2.81Å; E530-R533 PolarHBondContact O-N 3.35Å; E530-R533 IonicContact OE1-CZ 3.73Å; E530-R533 IonicContact OE1-NE 3.65Å; E530-R533 IonicContact OE1-NH2 2.65Å; E530-R533 PolarHBondContact OE1-NH2 3.34Å; E530-R533 IonicContact OE2-CZ 2.9Å; E530-R533 IonicContact OE2-NE 3.9Å; E530-R533 PolarHBondContact OE2-NE 3.4Å; E530-R533 IonicContact OE2-NH2 3.89Å; R533-G535 PolarHBondContact O-N 3.23Å; R533-T537 PolarHBondContact O-N 3.48Å; R533-T537 PolarHBondContact O-OG1 2.92Å; R533-L538 PolarHBondContact O-N 3.23Å
534	V	97.7	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-61.6	-46.5	-177.9	176.8	0	0	0	0	111.4	V500 E501 F504 E530 L538 L539	V500-V534 HydrophobicContact CG1-CB 4.08Å; V500-V534 HydrophobicContact CG1-CG1 4.44Å; V500-V534 HydrophobicContact CG1-CG2 4Å; E501-V534 HydrophobicContact CB-CG1 4.35Å; E501-V534 HydrophobicContact CB-CG2 3.81Å; E501-V534 HydrophobicContact CG-CG1 4.42Å; E501-V534 HydrophobicContact CG-CG2 4.32Å; F504-V534 HydrophobicContact CB-CG1 3.82Å; F504-V534 HydrophobicContact CD2-CB 4.3Å; F504-V534 HydrophobicContact CD2-CG1 3.65Å; F504-V534 HydrophobicContact CG-CG1 4.06Å; E530-V534 HydrophobicContact CG-CG2 4.2Å; E530-V534 WeakPolarHBondContact O-CB 3.31Å; E530-V534 VanDerWaalsContact O-CG2 3.32Å; E530-V534 WeakPolarHBondContact O-CG2 3.45Å; E530-V534 PolarHBondContact O-N 2.97Å; V534-L538 PolarHBondContact O-N 3.25Å; V534-L539 HydrophobicContact CG1-CD1 3.62Å; V534-L539 HydrophobicContact CG1-CG 4.08Å; V534-L539 WeakPolarHBondContact O-CB 3.3Å; V534-L539 PolarHBondContact O-N 3.27Å
535	G	98.1	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-68.7	-52.9	-179.5	0	0	0	0	0	113.4	V531 R533 G540 M541	V531-G535 WeakPolarHBondContact O-CA 3.49Å; V531-G535 PolarHBondContact O-N 3.37Å; R533-G535 PolarHBondContact O-N 3.23Å; G535-G540 CarbonylContact O-C 3.25Å; G535-G540 VanDerWaalsContact O-CA 3.24Å; G535-G540 WeakPolarHBondContact O-CA 3.38Å; G535-G540 PolarHBondContact O-N 3.36Å; G535-M541 PolarHBondContact O-N 3.42Å
536	D	98.1	Very high	97.3	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	13%	0.125	C	C	.	.	I	π-helix	trans	-83.1	-37.1	-168.8	-51.1	-25.3	0	0	0	112.5	K532 R811 H815 H848 T851 Y856	K532-D536 WeakPolarHBondContact O-CA 3.39Å; K532-D536 WeakPolarHBondContact O-CB 3.14Å; K532-D536 PolarHBondContact O-N 3.44Å; D536-R811 IonicContact OD1-NH1 3.16Å; D536-R811 WeakPolarHBondContact OD2-CD 3.28Å; D536-R811 IonicContact OD2-CZ 3.52Å; D536-R811 IonicContact OD2-NE 2.78Å; D536-R811 IonicContact OD2-NH1 3.72Å; D536-R811 PolarHBondContact OD2-NH1 2.7Å; D536-H815 IonicContact OD2-CE1 3.97Å; D536-H815 IonicContact OD2-NE2 2.76Å; D536-H815 PolarHBondContact OD2-NE2 3.02Å; D536-H815 VanDerWaalsContact OD2-NE2 3.09Å; D536-H848 PolarHBondContact O-N 2.95Å; D536-T851 HydrophobicContact CB-CG2 4.38Å; D536-T851 WeakPolarHBondContact O-CB 3.33Å; D536-T851 PolarHBondContact O-OG1 3.11Å; D536-Y856 HydrophobicContact CB-CD2 3.9Å; D536-Y856 HydrophobicContact CB-CE2 4.36Å; D536-Y856 WeakPolarHBondContact OD2-CD2 3.45Å
537	T	96.3	Very high	97.6	Very high	27 Å²	27	21.2 Å²	21.2	17%	0.166	11%	0.113	C	C	.	.	I	π-helix	trans	-106.4	-36.9	-171.2	74.6	0	0	0	0	114	R533 Q846 I847 H848	R533-T537 PolarHBondContact O-N 3.48Å; R533-T537 PolarHBondContact O-OG1 2.92Å; T537-Q846 VanDerWaalsContact CB-O 3.31Å; T537-Q846 WeakPolarHBondContact CB-O 3.22Å; T537-Q846 WeakPolarHBondContact CG2-O 3.43Å; T537-I847 HydrophobicContact CG2-CG2 4.48Å; T537-H848 WeakPolarHBondContact O-CB 3.5Å
538	L	96.6	Very high	97.7	Very high	54 Å²	54	21.1 Å²	21.1	28%	0.283	11%	0.113	S	C	.	.	I	π-helix	trans	-91.1	-49	-173.7	-174.1	64.3	0	0	0	113.8	E501 R533 V534 H848	E501-L538 HydrophobicContact CG-CD2 3.88Å; E501-L538 WeakPolarHBondContact OE1-CD2 3.26Å; E501-L538 WeakPolarHBondContact OE2-CD2 3.15Å; R533-L538 PolarHBondContact O-N 3.23Å; V534-L538 PolarHBondContact O-N 3.25Å; L538-H848 PolarHBondContact O-CD2 3.46Å; L538-H848 VanDerWaalsContact O-CD2 3.26Å
539	L	97.8	Very high	97.7	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.063	13%	0.128	C	C	.	.	I	π-helix	trans	-113.4	-14.3	-169.7	-59.9	-179.1	0	0	0	114.3	F504 R505 K508 V534 M541	F504-L539 HydrophobicContact CB-CD1 3.6Å; R505-L539 HydrophobicContact CG-CD1 3.9Å; R505-L539 HydrophobicContact CG-CD2 4.02Å; K508-L539 HydrophobicContact CD-CB 4.29Å; K508-L539 PolarHBondContact NZ-O 2.97Å; V534-L539 HydrophobicContact CG1-CD1 3.62Å; V534-L539 HydrophobicContact CG1-CG 4.08Å; V534-L539 WeakPolarHBondContact O-CB 3.3Å; V534-L539 PolarHBondContact O-N 3.27Å; L539-M541 HydrophobicContact CB-CG 3.92Å; L539-M541 HydrophobicContact CB-SD 3.94Å; L539-M541 HydrophobicContact CD1-SD 4.04Å
540	G	97.8	Very high	97.7	Very high	18 Å²	18	26.3 Å²	26.3	19%	0.186	14%	0.137	C	C	.	.			trans	65.6	45.8	179.4	0	0	0	0	0	114.1	G535 H848 T851	G535-G540 CarbonylContact O-C 3.25Å; G535-G540 VanDerWaalsContact O-CA 3.24Å; G535-G540 WeakPolarHBondContact O-CA 3.38Å; G535-G540 PolarHBondContact O-N 3.36Å; G540-H848 WeakPolarHBondContact CA-ND1 3.46Å; G540-T851 WeakPolarHBondContact CA-OG1 3.32Å
541	M	98.4	Very high	97.8	Very high	22 Å²	22	25.8 Å²	25.8	11%	0.108	14%	0.135	C	C	.	.			trans	-115.5	132.1	-175.8	-58.6	178	81.3	0	0	111.2	F504 L507 K508 L514 I517 G535 L539 T543	F504-M541 HydrophobicContact CB-SD 4.25Å; L507-M541 HydrophobicContact CB-CE 4.31Å; K508-M541 HydrophobicContact CB-CE 3.84Å; K508-M541 HydrophobicContact CB-SD 3.82Å; K508-M541 HydrophobicContact CD-CG 4.39Å; K508-M541 HydrophobicContact CD-SD 4.29Å; K508-M541 HydrophobicContact CG-CE 4.46Å; K508-M541 HydrophobicContact CG-SD 4.34Å; L514-M541 HydrophobicContact CD2-CE 3.45Å; L514-M541 VanDerWaalsContact CD2-CE 3.45Å; L514-M541 HydrophobicContact CG-CE 4.38Å; I517-M541 HydrophobicContact CD1-CE 3.6Å; I517-M541 HydrophobicContact CD1-SD 4.22Å; I517-M541 HydrophobicContact CG1-CE 4.38Å; G535-M541 PolarHBondContact O-N 3.42Å; L539-M541 HydrophobicContact CB-CG 3.92Å; L539-M541 HydrophobicContact CB-SD 3.94Å; L539-M541 HydrophobicContact CD1-SD 4.04Å; M541-T543 PolarHBondContact O-N 3.04Å
542	A	98.6	Very high	97.7	Very high	30 Å²	30	29.4 Å²	29.4	25%	0.248	16%	0.157	C	C	.	.			trans	-69.4	125.2	178	0	0	0	0	0	111.1	Q515 L516 I517 L570	Q515-A542 WeakPolarHBondContact O-CB 3.15Å; L516-A542 HydrophobicContact CD1-CB 4.42Å; I517-A542 PolarHBondContact N-O 2.65Å; A542-L570 HydrophobicContact CB-CD2 3.94Å
543	T	98.8	Very high	97.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.3	-179.7	59	0	0	0	0	113.5	F504 I517 V531 K532 M541 K569	F504-T543 HydrophobicContact CE2-CG2 3.57Å; F504-T543 HydrophobicContact CZ-CG2 3.95Å; I517-T543 HydrophobicContact CB-CG2 4.3Å; I517-T543 WeakPolarHBondContact O-CA 3.39Å; V531-T543 HydrophobicContact CG1-CG2 4.25Å; K532-T543 PolarHBondContact NZ-O 2.83Å; K532-T543 PolarHBondContact NZ-OG1 2.82Å; M541-T543 PolarHBondContact O-N 3.04Å; T543-K569 PolarHBondContact O-NZ 2.99Å
544	Q	98.8	Very high	97.6	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	105.4	175.2	-177.9	52.5	55.8	0	0	111.3	L516 I517 I518 V519 L562 I566	L516-Q544 HydrophobicContact CD1-CB 4.07Å; I517-Q544 PolarHBondContact O-N 3.35Å; I518-Q544 WeakPolarHBondContact CA-O 3.43Å; V519-Q544 PolarHBondContact N-O 3.15Å; Q544-L562 HydrophobicContact CG-CD1 3.5Å; Q544-L562 HydrophobicContact CG-CG 4.25Å; Q544-I566 HydrophobicContact CB-CG1 4.16Å; Q544-I566 HydrophobicContact CG-CD1 4.21Å; Q544-I566 HydrophobicContact CG-CG1 3.82Å
545	C	98.6	Very high	97.6	Very high	20 Å²	20	38.5 Å²	38.5	14%	0.135	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142	178	-50.2	0	0	0	0	111.5	V519 L521 Y528	V519-C545 CarbonylContact O-C 3.32Å; V519-C545 WeakPolarHBondContact O-CA 3.45Å; L521-C545 HydrophobicContact CD1-CB 3.93Å; Y528-C545 HydrophobicContact CD2-CB 4.14Å; Y528-C545 HydrophobicContact CE2-CB 4.16Å
546	V	98.4	Very high	97.5	Very high	12 Å²	12	42.9 Å²	42.9	7%	0.073	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.6	175.8	-171.1	0	0	0	0	108.9	F469 I518 V519 I520 L521 N550 V551 L562	F469-V546 HydrophobicContact CZ-CG2 4.39Å; I518-V546 HydrophobicContact CG2-CG2 4.31Å; V519-V546 PolarHBondContact O-N 3.46Å; I520-V546 WeakPolarHBondContact CA-O 3.42Å; L521-V546 PolarHBondContact N-O 2.94Å; V546-N550 HydrophobicContact CG1-CB 4.03Å; V546-V551 HydrophobicContact CB-CG2 4.21Å; V546-V551 HydrophobicContact CG1-CG2 3.74Å; V546-L562 HydrophobicContact CG2-CD1 3.93Å; V546-L562 HydrophobicContact CG2-CD2 3.76Å
547	Q	97.5	Very high	97.3	Very high	78 Å²	78	47.8 Å²	47.8	36%	0.364	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.6	173.6	-70.5	-171.6	-24.3	0	0	110.2	K549 N550 V551	Q547-K549 HydrophobicContact CB-CG 4.17Å; Q547-K549 PolarHBondContact O-N 2.78Å; Q547-K549 VanDerWaalsContact O-N 3.11Å; Q547-K549 VanDerWaalsContact OE1-NZ 3.15Å; Q547-N550 WeakPolarHBondContact O-CB 3.41Å; Q547-N550 PolarHBondContact O-N 2.92Å; Q547-V551 PolarHBondContact O-N 2.77Å
548	V	97.6	Very high	97.3	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	27%	0.266	C	S	.	.	H	α-helix	trans	-52.1	-37.5	-178.8	65.8	0	0	0	0	113	A456 Q460 C461 I520 L521 N550 V551 V552	A456-V548 HydrophobicContact CB-CB 3.94Å; A456-V548 HydrophobicContact CB-CG2 3.77Å; Q460-V548 HydrophobicContact CG-CG2 4.21Å; C461-V548 HydrophobicContact CB-CG2 3.71Å; I520-V548 HydrophobicContact CG2-CB 4.23Å; L521-V548 PolarHBondContact O-N 2.87Å; V548-N550 PolarHBondContact O-N 3.43Å; V548-V551 WeakPolarHBondContact O-CA 3.44Å; V548-V551 WeakPolarHBondContact O-CB 3.45Å; V548-V551 PolarHBondContact O-N 3.15Å; V548-V552 HydrophobicContact CG2-CG2 4.03Å; V548-V552 WeakPolarHBondContact O-CG2 3.42Å; V548-V552 PolarHBondContact O-N 3.07Å
549	K	96.4	Very high	97.4	Very high	129 Å²	129	46.7 Å²	46.7	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-58.1	-32.1	176.9	72.5	-176.9	-170.3	-167.6	0	113.7	Q547 K553	Q547-K549 HydrophobicContact CB-CG 4.17Å; Q547-K549 PolarHBondContact O-N 2.78Å; Q547-K549 VanDerWaalsContact O-N 3.11Å; Q547-K549 VanDerWaalsContact OE1-NZ 3.15Å; K549-K553 PolarHBondContact O-N 2.84Å
550	N	97.3	Very high	97.4	Very high	53 Å²	53	47.2 Å²	47.2	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-86.5	-11.2	178.9	-62.5	-19.3	0	0	0	112.6	V546 Q547 V548 T558	V546-N550 HydrophobicContact CG1-CB 4.03Å; Q547-N550 WeakPolarHBondContact O-CB 3.41Å; Q547-N550 PolarHBondContact O-N 2.92Å; V548-N550 PolarHBondContact O-N 3.43Å; N550-T558 HydrophobicContact CB-CG2 4.31Å
551	V	97.8	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-88.3	-45.7	171.6	-178.2	0	0	0	0	109.2	V465 L466 F469 I520 V546 Q547 V548	V465-V551 HydrophobicContact CG1-CG1 4.2Å; L466-V551 HydrophobicContact CD2-CG1 4.22Å; F469-V551 HydrophobicContact CB-CG1 3.64Å; F469-V551 HydrophobicContact CD1-CG1 4.21Å; F469-V551 HydrophobicContact CD2-CB 4.29Å; F469-V551 HydrophobicContact CD2-CG1 4.08Å; F469-V551 HydrophobicContact CD2-CG2 4.25Å; F469-V551 HydrophobicContact CE2-CG2 4.32Å; F469-V551 HydrophobicContact CG-CB 4.41Å; F469-V551 HydrophobicContact CG-CG1 3.71Å; F469-V551 HydrophobicContact CG-CG2 4.5Å; I520-V551 HydrophobicContact CD1-CG1 4.09Å; I520-V551 HydrophobicContact CD1-CG2 4.12Å; I520-V551 HydrophobicContact CG1-CG2 4.04Å; I520-V551 HydrophobicContact CG2-CG2 3.93Å; V546-V551 HydrophobicContact CB-CG2 4.21Å; V546-V551 HydrophobicContact CG1-CG2 3.74Å; Q547-V551 PolarHBondContact O-N 2.77Å; V548-V551 WeakPolarHBondContact O-CA 3.44Å; V548-V551 WeakPolarHBondContact O-CB 3.45Å; V548-V551 PolarHBondContact O-N 3.15Å
552	V	96.9	Very high	97.3	Very high	75 Å²	75	48.4 Å²	48.4	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-47.3	175.1	173.8	0	0	0	0	111	V465 V548	V465-V552 HydrophobicContact CG1-CB 4.41Å; V465-V552 HydrophobicContact CG1-CG2 4.07Å; V548-V552 HydrophobicContact CG2-CG2 4.03Å; V548-V552 WeakPolarHBondContact O-CG2 3.42Å; V548-V552 PolarHBondContact O-N 3.07Å
553	K	96.3	Very high	97.3	Very high	175 Å²	175	47 Å²	47	76%	0.761	25%	0.249	S	C	*	.	S	Bend	trans	-118.4	93.8	177.2	-168.1	172.2	-175.8	173.1	0	109.9	K549	K549-K553 PolarHBondContact O-N 2.84Å
554	T	96	Very high	97.3	Very high	38 Å²	38	47 Å²	47	23%	0.233	25%	0.249	C	C	.	.			trans	-77.7	149.9	176.4	57.1	0	0	0	0	111.1	F469 L559	F469-T554 HydrophobicContact CB-CG2 4.35Å; F469-T554 HydrophobicContact CD2-CG2 3.77Å; T554-L559 HydrophobicContact CG2-CD1 4.42Å; T554-L559 HydrophobicContact CG2-CD2 4.41Å
555	S	97	Very high	97.3	Very high	45 Å²	45	48 Å²	48	32%	0.315	25%	0.253	S	S	.	.			trans	-136.8	144.1	166.2	74.6	0	0	0	0	109.5	Q557 T558 L559	S555-Q557 PolarHBondContact O-N 2.78Å; S555-T558 PolarHBondContact O-N 3.46Å; S555-T558 VanDerWaalsContact O-N 3.08Å; S555-T558 WeakPolarHBondContact OG-CB 3.32Å; S555-T558 PolarHBondContact OG-N 3.43Å; S555-T558 PolarHBondContact OG-OG1 3.4Å; S555-L559 WeakPolarHBondContact O-CG 3.35Å; S555-L559 PolarHBondContact O-N 3.14Å
556	P	96.6	Very high	97.3	Very high	92 Å²	92	47 Å²	47	60%	0.597	25%	0.246	S	C	*	.	H	α-helix	trans	-54.6	-39.2	179.8	-28.4	35.5	0	0	0	112.9	I476 L559 S560	I476-P556 HydrophobicContact CD1-CB 4.11Å; P556-L559 PolarHBondContact O-N 3.16Å; P556-S560 VanDerWaalsContact O-CB 3.23Å; P556-S560 WeakPolarHBondContact O-CB 3.36Å; P556-S560 PolarHBondContact O-N 3.05Å
557	Q	94.3	Very high	97.4	Very high	107 Å²	107	46.4 Å²	46.4	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-43.5	177.4	-177.1	61.2	60.7	0	0	112.7	S555 N561	S555-Q557 PolarHBondContact O-N 2.78Å; Q557-N561 PolarHBondContact NE2-ND2 2.67Å; Q557-N561 PolarHBondContact NE2-OD1 3.35Å; Q557-N561 WeakPolarHBondContact O-CB 3.43Å; Q557-N561 PolarHBondContact O-N 3.47Å; Q557-N561 PolarHBondContact O-ND2 3.48Å
558	T	95.9	Very high	97.4	Very high	55 Å²	55	42.9 Å²	42.9	34%	0.337	23%	0.227	S	C	.	.	H	α-helix	trans	-67.4	-42	178.5	-65.8	0	0	0	0	111	N550 S555 N561 L562	N550-T558 HydrophobicContact CB-CG2 4.31Å; S555-T558 PolarHBondContact O-N 3.46Å; S555-T558 VanDerWaalsContact O-N 3.08Å; S555-T558 WeakPolarHBondContact OG-CB 3.32Å; S555-T558 PolarHBondContact OG-N 3.43Å; S555-T558 PolarHBondContact OG-OG1 3.4Å; T558-N561 PolarHBondContact O-N 2.96Å; T558-L562 WeakPolarHBondContact O-CB 3.19Å; T558-L562 PolarHBondContact O-N 3.02Å
559	L	98.1	Very high	97.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-40.6	177.6	-64.2	179.2	0	0	0	111.8	F469 Q472 L473 I476 T554 S555 P556 N561 L562 C563	F469-L559 HydrophobicContact CD2-CD2 4.1Å; F469-L559 HydrophobicContact CE2-CD2 3.65Å; Q472-L559 HydrophobicContact CB-CD1 3.65Å; L473-L559 HydrophobicContact CB-CD2 4.46Å; L473-L559 HydrophobicContact CD1-CD2 4.26Å; I476-L559 HydrophobicContact CB-CB 4.31Å; I476-L559 HydrophobicContact CG1-CB 4.21Å; I476-L559 HydrophobicContact CG1-CD1 4.26Å; I476-L559 HydrophobicContact CG2-CB 4.17Å; T554-L559 HydrophobicContact CG2-CD1 4.42Å; T554-L559 HydrophobicContact CG2-CD2 4.41Å; S555-L559 WeakPolarHBondContact O-CG 3.35Å; S555-L559 PolarHBondContact O-N 3.14Å; P556-L559 PolarHBondContact O-N 3.16Å; L559-N561 PolarHBondContact O-N 3.26Å; L559-L562 WeakPolarHBondContact O-CA 3.35Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.41Å; L559-L562 PolarHBondContact O-N 3.33Å; L559-C563 PolarHBondContact O-N 3.45Å; L559-C563 PolarHBondContact O-SG 3.19Å; L559-C563 VanDerWaalsContact O-SG 3.36Å
560	S	97.8	Very high	97.5	Very high	23 Å²	23	38.9 Å²	38.9	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.4	178.3	0	0	0	0	111.1	P556 L562 C563 L564	P556-S560 VanDerWaalsContact O-CB 3.23Å; P556-S560 WeakPolarHBondContact O-CB 3.36Å; P556-S560 PolarHBondContact O-N 3.05Å; S560-L562 PolarHBondContact O-N 3.27Å; S560-C563 WeakPolarHBondContact O-CB 3.32Å; S560-C563 PolarHBondContact O-N 2.95Å; S560-C563 VanDerWaalsContact O-N 3.11Å; S560-L564 WeakPolarHBondContact O-CG 3.5Å; S560-L564 PolarHBondContact O-N 2.82Å
561	N	97.3	Very high	97.5	Very high	49 Å²	49	36.9 Å²	36.9	26%	0.262	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-28.5	173.9	-73.7	-19.5	0	0	0	113.1	Q557 T558 L559 L564	Q557-N561 PolarHBondContact NE2-ND2 2.67Å; Q557-N561 PolarHBondContact NE2-OD1 3.35Å; Q557-N561 WeakPolarHBondContact O-CB 3.43Å; Q557-N561 PolarHBondContact O-N 3.47Å; Q557-N561 PolarHBondContact O-ND2 3.48Å; T558-N561 PolarHBondContact O-N 2.96Å; L559-N561 PolarHBondContact O-N 3.26Å; N561-L564 WeakPolarHBondContact O-CB 3.38Å
562	L	98.3	Very high	97.5	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-69.6	-45.1	173.1	-169.4	65.1	0	0	0	110.8	F469 L473 Q544 V546 T558 L559 S560 L564 K565 I566	F469-L562 HydrophobicContact CE2-CD2 4.42Å; F469-L562 HydrophobicContact CZ-CD2 4.07Å; L473-L562 HydrophobicContact CD1-CD2 4.15Å; L473-L562 HydrophobicContact CD2-CD2 4.41Å; Q544-L562 HydrophobicContact CG-CD1 3.5Å; Q544-L562 HydrophobicContact CG-CG 4.25Å; V546-L562 HydrophobicContact CG2-CD1 3.93Å; V546-L562 HydrophobicContact CG2-CD2 3.76Å; T558-L562 WeakPolarHBondContact O-CB 3.19Å; T558-L562 PolarHBondContact O-N 3.02Å; L559-L562 WeakPolarHBondContact O-CA 3.35Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.41Å; L559-L562 PolarHBondContact O-N 3.33Å; S560-L562 PolarHBondContact O-N 3.27Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 3.19Å; L562-K565 PolarHBondContact O-N 3.41Å; L562-K565 VanDerWaalsContact O-N 3.11Å; L562-I566 HydrophobicContact CD2-CD1 4.46Å; L562-I566 HydrophobicContact CG-CD1 3.98Å; L562-I566 WeakPolarHBondContact O-CG1 3.19Å; L562-I566 PolarHBondContact O-N 2.83Å
563	C	98.7	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-39.5	175.3	-66.8	0	0	0	0	112.1	F441 M482 L559 S560 K565 I566 N567	F441-C563 HydrophobicContact CE2-CB 4.36Å; F441-C563 HydrophobicContact CZ-CB 4.24Å; M482-C563 HydrophobicContact CE-CB 3.89Å; L559-C563 PolarHBondContact O-N 3.45Å; L559-C563 PolarHBondContact O-SG 3.19Å; L559-C563 VanDerWaalsContact O-SG 3.36Å; S560-C563 WeakPolarHBondContact O-CB 3.32Å; S560-C563 PolarHBondContact O-N 2.95Å; S560-C563 VanDerWaalsContact O-N 3.11Å; C563-K565 PolarHBondContact O-N 2.74Å; C563-I566 PolarHBondContact O-N 2.91Å; C563-N567 WeakPolarHBondContact O-CB 3.08Å; C563-N567 PolarHBondContact O-N 3.25Å
564	L	98.6	Very high	97.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-51.2	-43.3	174.2	-65	-175.2	0	0	0	112.2	M436 F441 S560 N561 L562 V568 N574 V790	M436-L564 HydrophobicContact SD-CD2 3.34Å; M436-L564 WeakPolarHBondContact SD-CD2 3.35Å; F441-L564 HydrophobicContact CE1-CD2 3.55Å; F441-L564 HydrophobicContact CZ-CD2 3.98Å; S560-L564 WeakPolarHBondContact O-CG 3.5Å; S560-L564 PolarHBondContact O-N 2.82Å; N561-L564 WeakPolarHBondContact O-CB 3.38Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 3.19Å; L564-V568 WeakPolarHBondContact O-CG2 3.31Å; L564-N574 PolarHBondContact O-ND2 2.62Å; L564-V790 WeakPolarHBondContact CB-O 3.23Å
565	K	98.6	Very high	97.8	Very high	30 Å²	30	24.7 Å²	24.7	13%	0.13	14%	0.142	C	C	.	.	H	α-helix	trans	-77.5	-39.5	-178.1	-64.9	165.4	56.2	71.2	0	111.9	L562 C563 K569 R791 A858	L562-K565 PolarHBondContact O-N 3.41Å; L562-K565 VanDerWaalsContact O-N 3.11Å; C563-K565 PolarHBondContact O-N 2.74Å; K565-K569 WeakPolarHBondContact O-CG 3.45Å; K565-K569 PolarHBondContact O-N 3.41Å; K565-K569 VanDerWaalsContact O-N 3.12Å; K565-R791 HydrophobicContact CG-CG 4.3Å; K565-A858 PolarHBondContact NZ-O 3.4Å; K565-A858 PolarHBondContact NZ-OXT 3.36Å
566	I	98.8	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-50.5	179.9	-67.8	169.1	0	0	0	109.8	I447 M482 L516 Q544 L562 C563 V568 K569 L570	I447-I566 HydrophobicContact CD1-CG2 3.56Å; M482-I566 HydrophobicContact CE-CB 4.02Å; M482-I566 HydrophobicContact CE-CG2 3.83Å; M482-I566 HydrophobicContact SD-CB 4.03Å; M482-I566 HydrophobicContact SD-CG2 3.72Å; L516-I566 HydrophobicContact CD2-CD1 4.2Å; L516-I566 HydrophobicContact CD2-CG1 4.23Å; L516-I566 HydrophobicContact CD2-CG2 3.68Å; Q544-I566 HydrophobicContact CB-CG1 4.16Å; Q544-I566 HydrophobicContact CG-CD1 4.21Å; Q544-I566 HydrophobicContact CG-CG1 3.82Å; L562-I566 HydrophobicContact CD2-CD1 4.46Å; L562-I566 HydrophobicContact CG-CD1 3.98Å; L562-I566 WeakPolarHBondContact O-CG1 3.19Å; L562-I566 PolarHBondContact O-N 2.83Å; C563-I566 PolarHBondContact O-N 2.91Å; I566-V568 VanDerWaalsContact C-N 3.28Å; I566-V568 PolarHBondContact O-N 2.96Å; I566-K569 PolarHBondContact O-N 2.88Å; I566-K569 VanDerWaalsContact O-N 3.13Å; I566-L570 HydrophobicContact CG2-CD1 3.95Å; I566-L570 HydrophobicContact CG2-CG 4.46Å; I566-L570 WeakPolarHBondContact O-CG 3.37Å; I566-L570 PolarHBondContact O-N 3.45Å; I566-L570 VanDerWaalsContact O-N 3.13Å
567	N	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-53.9	-48.1	-177.5	-170.2	49.2	0	0	0	111.4	F441 N443 G444 I445 M482 C563 L570 G571 G572 N574	F441-N567 HydrophobicContact CD2-CB 4.06Å; F441-N567 HydrophobicContact CE2-CB 3.79Å; F441-N567 HydrophobicContact CZ-CB 4.13Å; N443-N567 PolarHBondContact O-ND2 3.29Å; N443-N567 VanDerWaalsContact O-ND2 3.13Å; G444-N567 WeakPolarHBondContact CA-OD1 3.26Å; I445-N567 PolarHBondContact N-OD1 2.91Å; M482-N567 HydrophobicContact CG-CB 4.43Å; M482-N567 VanDerWaalsContact SD-CA 3.55Å; M482-N567 HydrophobicContact SD-CB 3.6Å; M482-N567 PolarHBondContact SD-N 3.5Å; M482-N567 VanDerWaalsContact SD-N 3.42Å; C563-N567 WeakPolarHBondContact O-CB 3.08Å; C563-N567 PolarHBondContact O-N 3.25Å; N567-L570 CarbonylContact O-C 3.55Å; N567-L570 PolarHBondContact O-N 2.69Å; N567-G571 PolarHBondContact O-N 3.15Å; N567-G572 WeakPolarHBondContact O-CA 3.43Å; N567-G572 PolarHBondContact O-N 2.94Å; N567-N574 WeakPolarHBondContact CB-OD1 3.43Å; N567-N574 PolarHBondContact ND2-OD1 3.31Å
568	V	98.3	Very high	98	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.024	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-39.4	-179.6	168.6	0	0	0	0	113.2	L564 I566 L570 G571 V790 M855 A858	L564-V568 WeakPolarHBondContact O-CG2 3.31Å; I566-V568 VanDerWaalsContact C-N 3.28Å; I566-V568 PolarHBondContact O-N 2.96Å; V568-L570 PolarHBondContact O-N 3.21Å; V568-G571 PolarHBondContact O-N 3.48Å; V568-V790 HydrophobicContact CB-CG2 4.42Å; V568-V790 HydrophobicContact CG1-CG2 4.11Å; V568-V790 HydrophobicContact CG2-CB 3.79Å; V568-V790 HydrophobicContact CG2-CG1 3.92Å; V568-V790 HydrophobicContact CG2-CG2 4Å; V568-M855 HydrophobicContact CG1-CB 3.53Å; V568-M855 HydrophobicContact CG1-CE 3.97Å; V568-M855 HydrophobicContact CG1-CG 4.05Å; V568-M855 HydrophobicContact CG1-SD 3.47Å; V568-M855 WeakPolarHBondContact CG1-SD 3.47Å; V568-A858 HydrophobicContact CG1-CB 4.12Å
569	K	98.5	Very high	97.9	Very high	14 Å²	14	14.2 Å²	14.2	6%	0.061	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-30.2	175.9	-79.1	175.1	177.1	174.5	0	112.7	T543 K565 I566 G571 A858	T543-K569 PolarHBondContact O-NZ 2.99Å; K565-K569 WeakPolarHBondContact O-CG 3.45Å; K565-K569 PolarHBondContact O-N 3.41Å; K565-K569 VanDerWaalsContact O-N 3.12Å; I566-K569 PolarHBondContact O-N 2.88Å; I566-K569 VanDerWaalsContact O-N 3.13Å; K569-G571 VanDerWaalsContact C-N 3.31Å; K569-A858 WeakPolarHBondContact CE-O 3.46Å; K569-A858 HydrophobicContact CG-CB 4.45Å; K569-A858 PolarHBondContact NZ-O 2.99Å
570	L	98.3	Very high	97.5	Very high	35 Å²	35	21.6 Å²	21.6	18%	0.183	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.4	176.9	-57	-178.5	0	0	0	113.1	I445 I447 Q515 L516 A542 I566 N567 V568	I445-L570 HydrophobicContact CB-CB 4.19Å; I445-L570 HydrophobicContact CG1-CB 4.02Å; I445-L570 HydrophobicContact CG2-CB 3.94Å; I445-L570 HydrophobicContact CG2-CD1 4.25Å; I447-L570 HydrophobicContact CD1-CD1 3.52Å; I447-L570 HydrophobicContact CG1-CD1 3.63Å; Q515-L570 HydrophobicContact CB-CD2 4.22Å; Q515-L570 WeakPolarHBondContact O-CD2 3.28Å; L516-L570 HydrophobicContact CB-CD2 4.44Å; A542-L570 HydrophobicContact CB-CD2 3.94Å; I566-L570 HydrophobicContact CG2-CD1 3.95Å; I566-L570 HydrophobicContact CG2-CG 4.46Å; I566-L570 WeakPolarHBondContact O-CG 3.37Å; I566-L570 PolarHBondContact O-N 3.45Å; I566-L570 VanDerWaalsContact O-N 3.13Å; N567-L570 CarbonylContact O-C 3.55Å; N567-L570 PolarHBondContact O-N 2.69Å; V568-L570 PolarHBondContact O-N 3.21Å
571	G	97	Very high	97.1	Very high	11 Å²	11	24.6 Å²	24.6	11%	0.113	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	6.9	174.5	0	0	0	0	0	115.6	N567 V568 K569 R623	N567-G571 PolarHBondContact O-N 3.15Å; V568-G571 PolarHBondContact O-N 3.48Å; K569-G571 VanDerWaalsContact C-N 3.31Å; G571-R623 PolarHBondContact O-NH1 3.05Å
572	G	98.1	Very high	96.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	13%	0.126	C	C	.	.			trans	-71.2	168.5	174.5	0	0	0	0	0	113.5	N443 N567	N443-G572 CarbonylContact O-C 3.55Å; N443-G572 VanDerWaalsContact O-CA 3.28Å; N443-G572 WeakPolarHBondContact O-CA 3.19Å; N567-G572 WeakPolarHBondContact O-CA 3.43Å; N567-G572 PolarHBondContact O-N 2.94Å
573	I	98.6	Very high	96.3	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.087	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-119.4	120.5	176.1	-60.5	175.3	0	0	0	107.6	Y442 N443 I576 R623	Y442-I573 HydrophobicContact CD1-CB 4.15Å; Y442-I573 HydrophobicContact CD1-CD1 4.41Å; Y442-I573 HydrophobicContact CD1-CG2 3.87Å; Y442-I573 HydrophobicContact CG-CG2 4.26Å; Y442-I573 PolarHBondContact N-O 3.47Å; Y442-I573 VanDerWaalsContact N-O 3.16Å; N443-I573 HydrophobicContact CB-CB 3.91Å; N443-I573 HydrophobicContact CB-CG1 4.28Å; N443-I573 PolarHBondContact N-O 3.3Å; N443-I573 PolarHBondContact O-N 2.81Å; I573-I576 HydrophobicContact CG2-CG2 3.68Å; I573-R623 HydrophobicContact CG1-CG 4.26Å
574	N	98.4	Very high	95.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.147	C	C	.	.			trans	-73.3	-50.4	-175.5	-70.2	-7	0	0	0	111.9	F441 Y442 L564 N567 V790	F441-N574 WeakPolarHBondContact CA-O 3.33Å; F441-N574 VanDerWaalsContact CD1-CA 3.48Å; F441-N574 HydrophobicContact CD1-CB 3.76Å; F441-N574 WeakPolarHBondContact CD1-OD1 3.19Å; F441-N574 HydrophobicContact CE1-CB 3.89Å; F441-N574 WeakPolarHBondContact CE1-OD1 3.4Å; Y442-N574 PolarHBondContact N-O 2.82Å; L564-N574 PolarHBondContact O-ND2 2.62Å; N567-N574 WeakPolarHBondContact CB-OD1 3.43Å; N567-N574 PolarHBondContact ND2-OD1 3.31Å; N574-V790 PolarHBondContact ND2-O 3.44Å; N574-V790 VanDerWaalsContact ND2-O 3.13Å
575	N	98.2	Very high	95.6	Very high	14 Å²	14	27.6 Å²	27.6	8%	0.075	15%	0.148	C	C	.	.			trans	-158.9	168.7	176.7	54.8	64.6	0	0	0	108.4	Q418 Y419	Q418-N575 WeakPolarHBondContact O-CA 3.45Å; Q418-N575 WeakPolarHBondContact O-CB 3.21Å; Y419-N575 HydrophobicContact CD1-CB 4.11Å; Y419-N575 HydrophobicContact CD2-CB 4.13Å; Y419-N575 HydrophobicContact CE1-CB 3.92Å; Y419-N575 HydrophobicContact CE2-CB 3.92Å; Y419-N575 HydrophobicContact CG-CB 4.24Å; Y419-N575 PolarHBondContact OH-ND2 3.01Å
576	I	98.4	Very high	95.4	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.6	174.8	67.3	171	0	0	0	110	L417 Q418 Y442 I573 P579 H620	L417-I576 CarbonylContact C-O 3.45Å; L417-I576 WeakPolarHBondContact CA-O 3.22Å; Q418-I576 HydrophobicContact CB-CD1 4.44Å; Q418-I576 HydrophobicContact CB-CG1 3.77Å; Q418-I576 HydrophobicContact CG-CG1 4.31Å; Q418-I576 PolarHBondContact N-O 3.23Å; Q418-I576 PolarHBondContact O-N 3.39Å; Y442-I576 HydrophobicContact CD1-CG2 4.07Å; Y442-I576 HydrophobicContact CD2-CD1 4.04Å; Y442-I576 HydrophobicContact CD2-CG1 3.97Å; Y442-I576 HydrophobicContact CD2-CG2 4.35Å; Y442-I576 HydrophobicContact CE1-CD1 4.44Å; Y442-I576 HydrophobicContact CE1-CG2 4.34Å; Y442-I576 HydrophobicContact CE2-CD1 3.48Å; Y442-I576 VanDerWaalsContact CE2-CD1 3.48Å; Y442-I576 HydrophobicContact CE2-CG1 3.94Å; Y442-I576 HydrophobicContact CG-CG2 4.08Å; I573-I576 HydrophobicContact CG2-CG2 3.68Å; I576-P579 HydrophobicContact CD1-CG 4.25Å; I576-H620 HydrophobicContact CB-CB 4.15Å; I576-H620 HydrophobicContact CG2-CB 3.79Å
577	L	97.3	Very high	95.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.2	165.6	-61.4	167.9	0	0	0	109	P415 L417 P579 R582 Q784 T788	P415-L577 HydrophobicContact CB-CD2 3.73Å; P415-L577 HydrophobicContact CG-CD2 3.74Å; L417-L577 HydrophobicContact CD2-CD2 3.98Å; L577-P579 VanDerWaalsContact O-CD 3.31Å; L577-P579 WeakPolarHBondContact O-CD 3.38Å; L577-P579 VanDerWaalsContact O-N 3.16Å; L577-R582 HydrophobicContact CB-CG 4.13Å; L577-Q784 HydrophobicContact CD1-CB 3.94Å; L577-Q784 HydrophobicContact CD2-CB 4.26Å; L577-T788 HydrophobicContact CD1-CG2 3.75Å; L577-T788 HydrophobicContact CD2-CG2 4.06Å; L577-T788 HydrophobicContact CG-CG2 3.72Å
578	V	96.6	Very high	95.1	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	20%	0.204	C	C	.	.			trans	-57.6	119	175.5	168	0	0	0	0	109.7	I416 Q418 H580 Q581	I416-V578 HydrophobicContact CB-CB 4.39Å; I416-V578 HydrophobicContact CB-CG2 3.75Å; I416-V578 HydrophobicContact CG2-CG2 3.67Å; I416-V578 WeakPolarHBondContact O-CG2 3.38Å; I416-V578 PolarHBondContact O-N 2.84Å; Q418-V578 HydrophobicContact CB-CG2 4.15Å; V578-H580 VanDerWaalsContact C-N 3.33Å; V578-H580 VanDerWaalsContact CG1-CE1 3.48Å; V578-H580 WeakPolarHBondContact CG1-CE1 3.26Å; V578-H580 WeakPolarHBondContact CG1-NE2 3.37Å; V578-H580 PolarHBondContact O-N 3.3Å; V578-H580 VanDerWaalsContact O-N 3.16Å; V578-Q581 HydrophobicContact CG1-CG 4.23Å; V578-Q581 PolarHBondContact O-N 2.79Å; V578-Q581 VanDerWaalsContact O-N 3.14Å
579	P	92.6	Very high	95.1	Very high	63 Å²	63	41.1 Å²	41.1	41%	0.409	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-59.2	-35.1	-163.9	-31.5	37	0	0	0	116.4	I576 L577 Q581 R582	I576-P579 HydrophobicContact CD1-CG 4.25Å; L577-P579 VanDerWaalsContact O-CD 3.31Å; L577-P579 WeakPolarHBondContact O-CD 3.38Å; L577-P579 VanDerWaalsContact O-N 3.16Å; P579-Q581 VanDerWaalsContact C-N 3.35Å; P579-R582 PolarHBondContact O-NE 2.95Å
580	H	89.7	Confident	95.1	Very high	158 Å²	158	40.9 Å²	40.9	73%	0.731	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-83.7	-4.4	-176.1	63.9	70.8	0	0	0	114.1	V578	V578-H580 VanDerWaalsContact C-N 3.33Å; V578-H580 VanDerWaalsContact CG1-CE1 3.48Å; V578-H580 WeakPolarHBondContact CG1-CE1 3.26Å; V578-H580 WeakPolarHBondContact CG1-NE2 3.37Å; V578-H580 PolarHBondContact O-N 3.3Å; V578-H580 VanDerWaalsContact O-N 3.16Å
581	Q	89.8	Confident	95.2	Very high	85 Å²	85	39.2 Å²	39.2	40%	0.397	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-103.2	6.4	175.8	-66.6	-173.4	-21.9	0	0	112.9	V578 P579 Q784	V578-Q581 HydrophobicContact CG1-CG 4.23Å; V578-Q581 PolarHBondContact O-N 2.79Å; V578-Q581 VanDerWaalsContact O-N 3.14Å; P579-Q581 VanDerWaalsContact C-N 3.35Å; Q581-Q784 PolarHBondContact O-NE2 3.43Å
582	R	90.6	Very high	95.3	Very high	60 Å²	60	38.8 Å²	38.8	23%	0.226	20%	0.2	C	C	.	.	S	Bend	trans	-83.8	158.1	-178.2	-59.8	-179.4	-60.9	166.4	3.7	110.9	L577 P579 F586 A619 H620	L577-R582 HydrophobicContact CB-CG 4.13Å; P579-R582 PolarHBondContact O-NE 2.95Å; R582-F586 HydrophobicContact CB-CB 4.44Å; R582-F586 HydrophobicContact CB-CD2 3.59Å; R582-F586 HydrophobicContact CB-CE2 3.99Å; R582-F586 HydrophobicContact CB-CG 4.12Å; R582-F586 HydrophobicContact CG-CD2 4.42Å; R582-A619 PolarHBondContact NH1-O 3.08Å; R582-H620 PolarHBondContact NH1-O 2.67Å
583	S	87.5	Confident	95.3	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.119	20%	0.199	C	C	.	.			trans	-58.4	155.1	174.5	138.2	0	0	0	0	112.1	V585 F586 E777	S583-V585 PolarHBondContact O-N 2.82Å; S583-V585 VanDerWaalsContact O-N 3.12Å; S583-V585 WeakPolarHBondContact OG-CB 3.48Å; S583-V585 WeakPolarHBondContact OG-CG1 3.47Å; S583-V585 PolarHBondContact OG-N 2.67Å; S583-V585 VanDerWaalsContact OG-N 3.13Å; S583-F586 WeakPolarHBondContact O-CD2 3.38Å; S583-F586 PolarHBondContact O-N 2.95Å; S583-F586 VanDerWaalsContact O-N 3.16Å; S583-E777 WeakPolarHBondContact OG-CG 3.4Å; S583-E777 PolarHBondContact OG-OE1 3.1Å
584	A	89.8	Confident	95.3	Very high	50 Å²	50	37.9 Å²	37.9	41%	0.413	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60.2	-21.4	178	0	0	0	0	0	112.6	F586 Q587 E777	A584-F586 PolarHBondContact O-N 3.07Å; A584-Q587 VanDerWaalsContact O-CB 3.28Å; A584-Q587 WeakPolarHBondContact O-CB 3.35Å; A584-Q587 WeakPolarHBondContact O-CG 3.43Å; A584-Q587 PolarHBondContact O-N 3.1Å; A584-E777 PolarHBondContact N-OE1 3.37Å
585	V	93.8	Very high	95.3	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-50.1	-32	173.2	78.8	0	0	0	0	113	S583 Q587 V590 F592 R662 I664 F773 E777 L781	S583-V585 PolarHBondContact O-N 2.82Å; S583-V585 VanDerWaalsContact O-N 3.12Å; S583-V585 WeakPolarHBondContact OG-CB 3.48Å; S583-V585 WeakPolarHBondContact OG-CG1 3.47Å; S583-V585 PolarHBondContact OG-N 2.67Å; S583-V585 VanDerWaalsContact OG-N 3.13Å; V585-Q587 VanDerWaalsContact C-N 3.29Å; V585-Q587 PolarHBondContact O-N 2.86Å; V585-V590 HydrophobicContact CG2-CB 4.41Å; V585-V590 HydrophobicContact CG2-CG2 4.06Å; V585-F592 HydrophobicContact CG1-CZ 4.4Å; V585-R662 PolarHBondContact O-NH1 2.88Å; V585-I664 HydrophobicContact CG2-CD1 4.48Å; V585-F773 HydrophobicContact CB-CE1 4.2Å; V585-F773 HydrophobicContact CB-CZ 4.18Å; V585-F773 HydrophobicContact CG2-CE1 4.3Å; V585-F773 HydrophobicContact CG2-CZ 3.78Å; V585-E777 PolarHBondContact N-OE1 3.3Å; V585-L781 HydrophobicContact CG1-CD1 4.12Å; V585-L781 HydrophobicContact CG1-CD2 4.14Å
586	F	95.1	Very high	95.3	Very high	26 Å²	26	37.6 Å²	37.6	11%	0.114	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-77.8	-6.6	-179	-70.9	-86.5	0	0	0	114.4	R582 S583 A584 Q588 V590 F592 P621 L781	R582-F586 HydrophobicContact CB-CB 4.44Å; R582-F586 HydrophobicContact CB-CD2 3.59Å; R582-F586 HydrophobicContact CB-CE2 3.99Å; R582-F586 HydrophobicContact CB-CG 4.12Å; R582-F586 HydrophobicContact CG-CD2 4.42Å; S583-F586 WeakPolarHBondContact O-CD2 3.38Å; S583-F586 PolarHBondContact O-N 2.95Å; S583-F586 VanDerWaalsContact O-N 3.16Å; A584-F586 PolarHBondContact O-N 3.07Å; F586-Q588 PolarHBondContact O-N 2.8Å; F586-V590 HydrophobicContact CD1-CG1 4.23Å; F586-F592 HydrophobicContact CD1-CE2 4.35Å; F586-F592 AromaticContact CE1-CE2 3.49Å; F586-F592 HydrophobicContact CE1-CE2 3.49Å; F586-F592 VanDerWaalsContact CE1-CE2 3.49Å; F586-F592 AromaticContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE2-CZ 4.14Å; F586-F592 AromaticContact CZ-CE2 3.71Å; F586-F592 HydrophobicContact CZ-CE2 3.71Å; F586-F592 AromaticContact CZ-CZ 3.51Å; F586-F592 HydrophobicContact CZ-CZ 3.51Å; F586-P621 HydrophobicContact CE1-CG 3.98Å; F586-P621 HydrophobicContact CZ-CG 4.22Å; F586-L781 HydrophobicContact CE2-CD1 3.58Å; F586-L781 HydrophobicContact CZ-CD1 4.02Å
587	Q	94.8	Very high	95.2	Very high	165 Å²	165	37.9 Å²	37.9	77%	0.771	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-71.6	-19.4	177.3	-66.1	176	0.4	0	0	112.6	A584 V585	A584-Q587 VanDerWaalsContact O-CB 3.28Å; A584-Q587 WeakPolarHBondContact O-CB 3.35Å; A584-Q587 WeakPolarHBondContact O-CG 3.43Å; A584-Q587 PolarHBondContact O-N 3.1Å; V585-Q587 VanDerWaalsContact C-N 3.29Å; V585-Q587 PolarHBondContact O-N 2.86Å
588	Q	96.4	Very high	95	Very high	90 Å²	90	38.8 Å²	38.8	42%	0.421	20%	0.201	S	C	.	.	S	Bend	trans	-120.5	161.1	170.9	-59	-179.7	-9.2	0	0	110	F586 V590 T661	F586-Q588 PolarHBondContact O-N 2.8Å; Q588-V590 PolarHBondContact O-N 3.4Å; Q588-V590 VanDerWaalsContact O-N 3.15Å; Q588-T661 VanDerWaalsContact CB-OG1 3.31Å; Q588-T661 WeakPolarHBondContact CB-OG1 3.47Å; Q588-T661 PolarHBondContact OE1-OG1 2.85Å
589	P	98.3	Very high	94.7	Very high	36 Å²	36	41.4 Å²	41.4	23%	0.234	21%	0.213	C	C	.	.			trans	-56.8	120.3	176.3	-25.5	35.8	0	0	0	111.8	Y658 K659 P660 T661 R662	P589-Y658 HydrophobicContact CB-CG 4.35Å; P589-Y658 HydrophobicContact CG-CD1 3.64Å; P589-Y658 HydrophobicContact CG-CG 3.78Å; P589-K659 WeakPolarHBondContact CB-O 3.35Å; P589-P660 CarbonylContact O-C 3.57Å; P589-P660 WeakPolarHBondContact O-CA 3.13Å; P589-T661 PolarHBondContact O-N 3.45Å; P589-T661 PolarHBondContact O-OG1 2.97Å; P589-R662 PolarHBondContact O-N 3.19Å
590	V	98.7	Very high	94.4	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.8	179.9	54.9	0	0	0	0	109.7	V585 F586 Q588 F592 R662 I664	V585-V590 HydrophobicContact CG2-CB 4.41Å; V585-V590 HydrophobicContact CG2-CG2 4.06Å; F586-V590 HydrophobicContact CD1-CG1 4.23Å; Q588-V590 PolarHBondContact O-N 3.4Å; Q588-V590 VanDerWaalsContact O-N 3.15Å; V590-F592 HydrophobicContact CG1-CE2 3.76Å; V590-F592 HydrophobicContact CG1-CZ 3.99Å; V590-F592 HydrophobicContact CG2-CE1 4.38Å; V590-F592 HydrophobicContact CG2-CE2 4.12Å; V590-F592 HydrophobicContact CG2-CZ 3.99Å; V590-R662 HydrophobicContact CB-CB 4.26Å; V590-R662 HydrophobicContact CG2-CB 3.98Å; V590-I664 HydrophobicContact CG2-CG1 3.71Å
591	I	98.9	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.4	171.9	-168.4	174.1	0	0	0	110.2	L593 L649 F652 P660 R662 I663 I664	I591-L593 HydrophobicContact CD1-CD2 3.79Å; I591-L593 HydrophobicContact CG1-CD2 3.9Å; I591-L649 HydrophobicContact CD1-CD2 4.34Å; I591-L649 HydrophobicContact CG2-CD2 4.19Å; I591-F652 HydrophobicContact CB-CD2 4.1Å; I591-F652 HydrophobicContact CB-CE2 4.17Å; I591-F652 HydrophobicContact CD1-CB 3.89Å; I591-F652 HydrophobicContact CD1-CD2 3.96Å; I591-F652 HydrophobicContact CD1-CG 4.11Å; I591-F652 HydrophobicContact CG1-CD2 3.92Å; I591-F652 HydrophobicContact CG1-CE2 4.36Å; I591-F652 HydrophobicContact CG1-CG 4.49Å; I591-P660 HydrophobicContact CB-CB 4.21Å; I591-P660 HydrophobicContact CB-CG 3.92Å; I591-P660 HydrophobicContact CG2-CB 3.83Å; I591-P660 HydrophobicContact CG2-CG 3.8Å; I591-R662 PolarHBondContact N-O 2.59Å; I591-R662 VanDerWaalsContact N-O 3.08Å; I591-I663 HydrophobicContact CG2-CB 4.25Å; I591-I663 HydrophobicContact CG2-CG1 3.81Å; I591-I663 HydrophobicContact CG2-CG2 4.27Å; I591-I664 PolarHBondContact O-N 3.1Å
592	F	98.9	Very high	92.9	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.8	174	-62.3	-83.4	0	0	0	109.4	V585 F586 V590 G615 S616 P621 Y624 I664 L781 L785	V585-F592 HydrophobicContact CG1-CZ 4.4Å; F586-F592 HydrophobicContact CD1-CE2 4.35Å; F586-F592 AromaticContact CE1-CE2 3.49Å; F586-F592 HydrophobicContact CE1-CE2 3.49Å; F586-F592 VanDerWaalsContact CE1-CE2 3.49Å; F586-F592 AromaticContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE1-CZ 3.74Å; F586-F592 HydrophobicContact CE2-CZ 4.14Å; F586-F592 AromaticContact CZ-CE2 3.71Å; F586-F592 HydrophobicContact CZ-CE2 3.71Å; F586-F592 AromaticContact CZ-CZ 3.51Å; F586-F592 HydrophobicContact CZ-CZ 3.51Å; V590-F592 HydrophobicContact CG1-CE2 3.76Å; V590-F592 HydrophobicContact CG1-CZ 3.99Å; V590-F592 HydrophobicContact CG2-CE1 4.38Å; V590-F592 HydrophobicContact CG2-CE2 4.12Å; V590-F592 HydrophobicContact CG2-CZ 3.99Å; F592-G615 CarbonylContact O-C 3.48Å; F592-G615 WeakPolarHBondContact O-CA 3.48Å; F592-S616 PolarHBondContact N-OG 3.17Å; F592-S616 PolarHBondContact O-N 3.09Å; F592-P621 HydrophobicContact CD2-CB 3.72Å; F592-P621 HydrophobicContact CD2-CG 3.58Å; F592-P621 HydrophobicContact CE2-CB 4.08Å; F592-P621 HydrophobicContact CE2-CG 3.69Å; F592-P621 HydrophobicContact CG-CG 4.4Å; F592-Y624 HydrophobicContact CB-CE1 4.5Å; F592-I664 HydrophobicContact CD1-CB 3.8Å; F592-I664 HydrophobicContact CD1-CG1 4.13Å; F592-I664 HydrophobicContact CD1-CG2 4.16Å; F592-I664 HydrophobicContact CE1-CB 4.06Å; F592-I664 HydrophobicContact CE1-CG1 3.91Å; F592-I664 HydrophobicContact CE1-CG2 4.34Å; F592-L781 HydrophobicContact CE1-CD1 3.88Å; F592-L781 HydrophobicContact CE1-CD2 4.18Å; F592-L781 HydrophobicContact CE1-CG 4.37Å; F592-L781 HydrophobicContact CZ-CD1 4.01Å; F592-L785 HydrophobicContact CD1-CD1 3.7Å; F592-L785 HydrophobicContact CD1-CD2 4.34Å; F592-L785 HydrophobicContact CE1-CD1 3.93Å; F592-L785 HydrophobicContact CE1-CD2 4.49Å; F592-L785 HydrophobicContact CG-CD1 4.47Å; F592-L785 HydrophobicContact CG-CD2 4.46Å
593	L	98.9	Very high	91.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142	178.5	-60.1	-174.6	0	0	0	110.5	I591 V614 V645 L648 I663 I664 F665 Y666	I591-L593 HydrophobicContact CD1-CD2 3.79Å; I591-L593 HydrophobicContact CG1-CD2 3.9Å; L593-V614 VanDerWaalsContact CA-O 3.23Å; L593-V614 WeakPolarHBondContact CA-O 3.44Å; L593-V614 WeakPolarHBondContact CD2-O 3.25Å; L593-V645 HydrophobicContact CD1-CG1 4.35Å; L593-V645 HydrophobicContact CD1-CG2 4.23Å; L593-L648 HydrophobicContact CD2-CB 4.5Å; L593-L648 HydrophobicContact CD2-CD1 3.95Å; L593-I663 HydrophobicContact CD1-CG2 3.65Å; L593-I663 HydrophobicContact CG-CG2 4.16Å; L593-I664 PolarHBondContact N-O 2.91Å; L593-F665 HydrophobicContact CB-CD2 3.55Å; L593-F665 HydrophobicContact CB-CE2 4.22Å; L593-F665 HydrophobicContact CB-CG 4.43Å; L593-F665 HydrophobicContact CD1-CD2 3.85Å; L593-F665 HydrophobicContact CD1-CE2 4.42Å; L593-F665 HydrophobicContact CG-CD2 4.34Å; L593-Y666 PolarHBondContact O-N 3.22Å
594	G	98.8	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.2	171.3	0	0	0	0	0	110.1	V613 V614 Y666 A805	G594-V613 CarbonylContact O-C 3.51Å; G594-V613 VanDerWaalsContact O-CA 3.25Å; G594-V613 WeakPolarHBondContact O-CA 3.44Å; G594-V614 PolarHBondContact N-O 3.21Å; G594-V614 PolarHBondContact O-N 3.33Å; G594-Y666 CarbonylContact C-O 3.57Å; G594-Y666 WeakPolarHBondContact CA-O 3.16Å; G594-A805 WeakPolarHBondContact O-CB 3.07Å
595	A	98.7	Very high	90.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.1	-177	0	0	0	0	0	112.4	A612 V613 I638 F665 Y666 D668	A595-A612 VanDerWaalsContact CA-O 3.29Å; A595-A612 WeakPolarHBondContact CA-O 3.18Å; A595-V613 HydrophobicContact CB-CG2 4.01Å; A595-I638 HydrophobicContact CB-CD1 3.82Å; A595-F665 HydrophobicContact CB-CE1 4.06Å; A595-F665 HydrophobicContact CB-CE2 3.82Å; A595-F665 HydrophobicContact CB-CZ 3.34Å; A595-Y666 PolarHBondContact N-O 3.45Å; A595-D668 PolarHBondContact O-N 3.33Å
596	D	97.7	Very high	89.5	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.1	177.9	178.1	53.5	0	0	0	111.4	T598 T611 A612 A805 H806	D596-T598 PolarHBondContact OD2-OG1 2.93Å; D596-T611 WeakPolarHBondContact O-CA 3.44Å; D596-A612 PolarHBondContact N-O 2.98Å; D596-A612 PolarHBondContact O-N 3.03Å; D596-A805 HydrophobicContact CB-CB 3.88Å; D596-H806 HydrophobicContact CB-CB 4.41Å; D596-H806 IonicContact OD2-CD2 2.74Å
597	V	96.5	Very high	89	Confident	11 Å²	11	46.2 Å²	46.2	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.7	171.2	-179.3	0	0	0	0	109.7	I610 T611 I638 R667	V597-I610 CarbonylContact C-O 3.3Å; V597-I610 WeakPolarHBondContact CA-O 3.38Å; V597-T611 HydrophobicContact CG1-CG2 4.35Å; V597-T611 HydrophobicContact CG2-CG2 3.81Å; V597-I638 HydrophobicContact CG2-CD1 4.3Å; V597-I638 HydrophobicContact CG2-CG1 3.66Å; V597-R667 VanDerWaalsContact CG2-NH2 3.32Å
598	T	92.7	Very high	88.9	Confident	21 Å²	21	39 Å²	39	13%	0.129	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.9	178.2	-70.3	0	0	0	0	111	D596 I610 F810 R813	D596-T598 PolarHBondContact OD2-OG1 2.93Å; T598-I610 PolarHBondContact N-O 3.3Å; T598-I610 PolarHBondContact O-N 3.03Å; T598-F810 HydrophobicContact CG2-CE1 4.44Å; T598-R813 PolarHBondContact O-NH2 3.04Å
599	H	90.6	Very high	88.7	Confident	65 Å²	65	34.7 Å²	34.7	30%	0.301	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-73	156.6	174.9	-61.8	-38.6	0	0	0	113.6	S609 Q635 E636	H599-S609 PolarHBondContact ND1-OG 2.84Å; H599-S609 VanDerWaalsContact ND1-OG 3.13Å; H599-Q635 PolarHBondContact CE1-O 3.25Å; H599-E636 IonicContact CE1-OE2 3.57Å; H599-E636 PolarHBondContact CE1-OE2 2.88Å; H599-E636 IonicContact NE2-OE2 3.51Å; H599-E636 PolarHBondContact NE2-OE2 2.68Å
600	P	85.4	Confident	88.6	Confident	5 Å²	5	33 Å²	33	3%	0.032	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-65	158.7	169.9	32.5	-40.2	0	0	0	111.9	D604 K607	P600-D604 HydrophobicContact CB-CB 4.24Å; P600-K607 HydrophobicContact CB-CB 3.7Å; P600-K607 WeakPolarHBondContact CG-O 3.08Å
601	P	78.2	Confident	88.6	Confident	65 Å²	65	32.5 Å²	32.5	42%	0.422	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-50.5	151.8	175.8	-26.5	35.2	0	0	0	113	G603 D604 R634	P601-G603 PolarHBondContact O-N 3.04Å; P601-D604 WeakPolarHBondContact O-CB 3.14Å; P601-D604 PolarHBondContact O-N 3.08Å; P601-D604 VanDerWaalsContact O-N 3.14Å; P601-R634 PolarHBondContact O-NH2 3.26Å
602	A	70.4	Confident	88.6	Confident	54 Å²	54	32.5 Å²	32.5	45%	0.446	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	135.9	177.7	0	0	0	0	0	111	I352 D604	I352-A602 HydrophobicContact CB-CB 4.39Å; A602-D604 VanDerWaalsContact C-N 3.33Å
603	G	67	Low	88.6	Confident	68 Å²	68	32.4 Å²	32.4	70%	0.701	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-13	-175.6	0	0	0	0	0	115	P601	P601-G603 PolarHBondContact O-N 3.04Å
604	D	69.6	Low	88.6	Confident	37 Å²	37	32.4 Å²	32.4	20%	0.198	20%	0.202	C	C	.	.			trans	-87.5	120.3	169.9	-164.4	-31.7	0	0	0	109.5	P600 P601 A602 K606 K607 R634	P600-D604 HydrophobicContact CB-CB 4.24Å; P601-D604 WeakPolarHBondContact O-CB 3.14Å; P601-D604 PolarHBondContact O-N 3.08Å; P601-D604 VanDerWaalsContact O-N 3.14Å; A602-D604 VanDerWaalsContact C-N 3.33Å; D604-K606 PolarHBondContact OD1-N 2.93Å; D604-K607 PolarHBondContact OD1-N 2.94Å; D604-K607 WeakPolarHBondContact OD2-CD 3.47Å; D604-K607 WeakPolarHBondContact OD2-CE 3.38Å; D604-K607 WeakPolarHBondContact OD2-CG 3.41Å; D604-R634 PolarHBondContact O-NH2 3.18Å
605	G	72.4	Confident	88.6	Confident	60 Å²	60	32.4 Å²	32.4	62%	0.619	20%	0.202	S	C	*	.			trans	-108.8	-2.3	176	0	0	0	0	0	113.8
606	K	80.9	Confident	88.6	Confident	166 Å²	166	32.4 Å²	32.4	72%	0.722	20%	0.202	S	C	*	.	S	Bend	trans	-101	-38.3	-175.8	-66.7	-170.7	176.8	-168.4	0	112.3	D604	D604-K606 PolarHBondContact OD1-N 2.93Å
607	K	85.9	Confident	88.6	Confident	108 Å²	108	32.5 Å²	32.5	47%	0.47	20%	0.202	S	C	.	.	S	Bend	trans	-69.5	141.1	-177.2	-72.3	-175.4	-166.8	-176.4	0	111.7	P600 D604 P633	P600-K607 HydrophobicContact CB-CB 3.7Å; P600-K607 WeakPolarHBondContact CG-O 3.08Å; D604-K607 PolarHBondContact OD1-N 2.94Å; D604-K607 WeakPolarHBondContact OD2-CD 3.47Å; D604-K607 WeakPolarHBondContact OD2-CE 3.38Å; D604-K607 WeakPolarHBondContact OD2-CG 3.41Å; K607-P633 WeakPolarHBondContact O-CB 3.38Å; K607-P633 WeakPolarHBondContact O-CG 3.46Å
608	P	91.3	Very high	88.7	Confident	13 Å²	13	33 Å²	33	8%	0.084	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-70.8	157.2	179.5	31.4	-37.3	0	0	0	111.7	V630 Q631 R813 L816 L841	P608-V630 HydrophobicContact CB-CB 4.06Å; P608-V630 HydrophobicContact CB-CG1 4.48Å; P608-V630 HydrophobicContact CG-CB 4.24Å; P608-V630 HydrophobicContact CG-CG1 4.15Å; P608-Q631 VanDerWaalsContact CB-O 3.32Å; P608-Q631 WeakPolarHBondContact CB-O 3.48Å; P608-R813 PolarHBondContact O-NH1 3.38Å; P608-R813 PolarHBondContact O-NH2 3.31Å; P608-L816 HydrophobicContact CG-CD1 4.11Å; P608-L841 HydrophobicContact CG-CD1 4.18Å
609	S	93.3	Very high	88.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	149.2	157.8	-58	0	0	0	0	108.7	H599 Q631 R632 R634	H599-S609 PolarHBondContact ND1-OG 2.84Å; H599-S609 VanDerWaalsContact ND1-OG 3.13Å; S609-Q631 PolarHBondContact N-O 3.42Å; S609-Q631 VanDerWaalsContact N-O 3.13Å; S609-Q631 PolarHBondContact O-N 3.02Å; S609-R632 PolarHBondContact OG-O 3.41Å; S609-R632 VanDerWaalsContact OG-O 3.12Å; S609-R634 WeakPolarHBondContact OG-CA 3.12Å; S609-R634 PolarHBondContact OG-N 2.89Å
610	I	96.4	Very high	89.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	177	-59.8	173.3	0	0	0	107.6	V597 T598 V628 R629 A809 A812 R813 L816	V597-I610 CarbonylContact C-O 3.3Å; V597-I610 WeakPolarHBondContact CA-O 3.38Å; T598-I610 PolarHBondContact N-O 3.3Å; T598-I610 PolarHBondContact O-N 3.03Å; I610-V628 HydrophobicContact CG2-CG2 3.7Å; I610-R629 WeakPolarHBondContact CA-O 3.28Å; I610-A809 HydrophobicContact CG2-CB 4.12Å; I610-A812 HydrophobicContact CD1-CB 4.17Å; I610-A812 HydrophobicContact CG2-CB 3.84Å; I610-R813 HydrophobicContact CD1-CB 3.78Å; I610-L816 HydrophobicContact CD1-CD1 3.85Å; I610-L816 HydrophobicContact CG1-CD1 4.23Å
611	T	97.9	Very high	89.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.1	173.4	66.7	0	0	0	0	109.6	D596 V597 V628 R629 Q631 I638	D596-T611 WeakPolarHBondContact O-CA 3.44Å; V597-T611 HydrophobicContact CG1-CG2 4.35Å; V597-T611 HydrophobicContact CG2-CG2 3.81Å; T611-V628 CarbonylContact O-C 3.58Å; T611-V628 VanDerWaalsContact O-CA 3.3Å; T611-V628 WeakPolarHBondContact O-CA 3.42Å; T611-V628 VanDerWaalsContact O-CG2 3.29Å; T611-V628 WeakPolarHBondContact O-CG2 3.39Å; T611-R629 PolarHBondContact N-O 3.09Å; T611-R629 PolarHBondContact O-N 3.45Å; T611-Q631 HydrophobicContact CG2-CG 3.8Å; T611-I638 HydrophobicContact CG2-CB 4.45Å; T611-I638 HydrophobicContact CG2-CG1 4.14Å; T611-I638 HydrophobicContact CG2-CG2 4.18Å
612	A	98.6	Very high	90.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.2	177	0	0	0	0	0	109.8	A595 D596 T627 A805 V808 A809	A595-A612 VanDerWaalsContact CA-O 3.29Å; A595-A612 WeakPolarHBondContact CA-O 3.18Å; D596-A612 PolarHBondContact N-O 2.98Å; D596-A612 PolarHBondContact O-N 3.03Å; A612-T627 WeakPolarHBondContact CA-O 3.43Å; A612-A805 HydrophobicContact CB-CB 4.49Å; A612-A805 WeakPolarHBondContact CB-O 3.29Å; A612-V808 HydrophobicContact CB-CB 3.79Å; A612-V808 HydrophobicContact CB-CG1 3.62Å; A612-A809 HydrophobicContact CB-CB 3.96Å
613	V	98.9	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.9	172.9	-173.2	0	0	0	0	108.6	G594 A595 T627 I638 L641 M644 L648 F665	G594-V613 CarbonylContact O-C 3.51Å; G594-V613 VanDerWaalsContact O-CA 3.25Å; G594-V613 WeakPolarHBondContact O-CA 3.44Å; A595-V613 HydrophobicContact CB-CG2 4.01Å; V613-T627 PolarHBondContact N-O 2.74Å; V613-T627 PolarHBondContact O-N 3.34Å; V613-T627 PolarHBondContact O-OG1 3.14Å; V613-I638 HydrophobicContact CG2-CD1 4.23Å; V613-L641 HydrophobicContact CG2-CD1 3.7Å; V613-M644 HydrophobicContact CB-CB 4.44Å; V613-M644 HydrophobicContact CB-CE 3.88Å; V613-M644 HydrophobicContact CG2-CB 4.43Å; V613-M644 HydrophobicContact CG2-CE 3.6Å; V613-M644 HydrophobicContact CG2-SD 4.1Å; V613-L648 HydrophobicContact CB-CD1 4.25Å; V613-L648 HydrophobicContact CG1-CD1 3.67Å; V613-F665 HydrophobicContact CG1-CE2 4.33Å
614	V	98.9	Very high	93.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153.7	174.6	-59.9	0	0	0	0	110.1	L593 G594 Y624 C625 A626 P801 A805 V808	L593-V614 VanDerWaalsContact CA-O 3.23Å; L593-V614 WeakPolarHBondContact CA-O 3.44Å; L593-V614 WeakPolarHBondContact CD2-O 3.25Å; G594-V614 PolarHBondContact N-O 3.21Å; G594-V614 PolarHBondContact O-N 3.33Å; V614-Y624 HydrophobicContact CB-CD1 4.27Å; V614-Y624 HydrophobicContact CG2-CD1 4.01Å; V614-C625 CarbonylContact C-O 3.56Å; V614-C625 WeakPolarHBondContact CA-O 3.31Å; V614-C625 WeakPolarHBondContact CB-O 3.46Å; V614-A626 HydrophobicContact CG1-CB 3.99Å; V614-P801 HydrophobicContact CG2-CB 4.25Å; V614-P801 WeakPolarHBondContact CG2-O 3.39Å; V614-A805 HydrophobicContact CG2-CB 4.44Å; V614-V808 HydrophobicContact CG1-CG2 3.89Å
615	G	98.8	Very high	94.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.8	173.5	0	0	0	0	0	112	F592 M617 Y624 C625	F592-G615 CarbonylContact O-C 3.48Å; F592-G615 WeakPolarHBondContact O-CA 3.48Å; G615-M617 VanDerWaalsContact C-CE 3.47Å; G615-M617 WeakPolarHBondContact O-CE 3.44Å; G615-Y624 CarbonylContact O-C 3.56Å; G615-Y624 WeakPolarHBondContact O-CA 3.42Å; G615-Y624 WeakPolarHBondContact O-CD1 3.44Å; G615-C625 PolarHBondContact N-O 3.38Å; G615-C625 PolarHBondContact O-N 3.07Å
616	S	98.8	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	145.6	172.4	59.1	0	0	0	0	110.3	F592 R623 Y624 F652	F592-S616 PolarHBondContact N-OG 3.17Å; F592-S616 PolarHBondContact O-N 3.09Å; S616-R623 CarbonylContact C-O 3.54Å; S616-R623 WeakPolarHBondContact CA-O 3.48Å; S616-Y624 VanDerWaalsContact N-CD1 3.3Å; S616-F652 VanDerWaalsContact O-CD2 3.26Å; S616-F652 WeakPolarHBondContact O-CD2 3.49Å
617	M	98.6	Very high	96.7	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.049	10%	0.098	C	C	.	.			trans	-123.1	8.7	-172.3	-62.2	-68.6	133.5	0	0	113.5	G615 R623 C625 L648 Q651 S655 T656	G615-M617 VanDerWaalsContact C-CE 3.47Å; G615-M617 WeakPolarHBondContact O-CE 3.44Å; M617-R623 HydrophobicContact CB-CB 4.41Å; M617-R623 PolarHBondContact N-O 2.97Å; M617-C625 HydrophobicContact CE-CB 3.88Å; M617-C625 HydrophobicContact CG-CB 3.94Å; M617-C625 HydrophobicContact SD-CB 3.96Å; M617-L648 HydrophobicContact CE-CB 4.39Å; M617-L648 HydrophobicContact CE-CD2 3.88Å; M617-Q651 HydrophobicContact SD-CB 4.05Å; M617-Q651 HydrophobicContact SD-CG 3.69Å; M617-S655 WeakPolarHBondContact O-CB 3.34Å; M617-T656 WeakPolarHBondContact O-CG2 3.41Å
618	D	97.8	Very high	97.3	Very high	22 Å²	22	13.8 Å²	13.8	12%	0.118	8%	0.078	C	C	.	.	S	Bend	trans	-149.6	167.4	178.1	59.3	55.4	0	0	0	109.7	H620 P621 S622 R623	D618-H620 PolarHBondContact O-N 3.33Å; D618-H620 VanDerWaalsContact OD1-CB 3.28Å; D618-H620 WeakPolarHBondContact OD1-CB 3.4Å; D618-H620 IonicContact OD1-CD2 2.94Å; D618-H620 IonicContact OD1-CG 3.16Å; D618-H620 PolarHBondContact OD1-N 3.03Å; D618-P621 WeakPolarHBondContact OD1-CA 3.49Å; D618-S622 PolarHBondContact OD1-N 3.32Å; D618-R623 VanDerWaalsContact OD2-CB 3.27Å; D618-R623 WeakPolarHBondContact OD2-CB 3.49Å; D618-R623 WeakPolarHBondContact OD2-CG 3.31Å; D618-R623 PolarHBondContact OD2-N 3.1Å
619	A	97.1	Very high	97.6	Very high	71 Å²	71	16.1 Å²	16.1	59%	0.587	9%	0.086	S	C	*	.	S	Bend	trans	-76.7	-0.5	-179.6	0	0	0	0	0	113.3	R582	R582-A619 PolarHBondContact NH1-O 3.08Å
620	H	95.8	Very high	97.7	Very high	46 Å²	46	17.2 Å²	17.2	21%	0.213	9%	0.092	C	C	.	.	S	Bend	trans	-73.5	-47.6	-170.2	-69.5	-58.3	0	0	0	115.1	I576 R582 D618	I576-H620 HydrophobicContact CB-CB 4.15Å; I576-H620 HydrophobicContact CG2-CB 3.79Å; R582-H620 PolarHBondContact NH1-O 2.67Å; D618-H620 PolarHBondContact O-N 3.33Å; D618-H620 VanDerWaalsContact OD1-CB 3.28Å; D618-H620 WeakPolarHBondContact OD1-CB 3.4Å; D618-H620 IonicContact OD1-CD2 2.94Å; D618-H620 IonicContact OD1-CG 3.16Å; D618-H620 PolarHBondContact OD1-N 3.03Å
621	P	94.4	Very high	97.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.095	C	C	.	.	S	Bend	cis	-102.4	99.8	-3.1	34.4	-22.2	0	0	0	112.1	F586 F592 D618 Y624 L785	F586-P621 HydrophobicContact CE1-CG 3.98Å; F586-P621 HydrophobicContact CZ-CG 4.22Å; F592-P621 HydrophobicContact CD2-CB 3.72Å; F592-P621 HydrophobicContact CD2-CG 3.58Å; F592-P621 HydrophobicContact CE2-CB 4.08Å; F592-P621 HydrophobicContact CE2-CG 3.69Å; F592-P621 HydrophobicContact CG-CG 4.4Å; D618-P621 WeakPolarHBondContact OD1-CA 3.49Å; P621-Y624 WeakPolarHBondContact O-CE2 3.29Å; P621-L785 HydrophobicContact CG-CD2 3.77Å
622	S	96.2	Very high	97.3	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.042	13%	0.127	C	C	.	.			trans	-101.9	-46.1	-170	-178.8	0	0	0	0	114.2	D618 Y624	D618-S622 PolarHBondContact OD1-N 3.32Å; S622-Y624 WeakPolarHBondContact O-CD2 3.4Å
623	R	97.9	Very high	96.9	Very high	86 Å²	86	28.9 Å²	28.9	33%	0.325	14%	0.144	S	C	.	.			trans	-85.8	142	-179.2	-65.2	-174.3	60.8	162.5	-6.8	110.7	G571 I573 S616 M617 D618	G571-R623 PolarHBondContact O-NH1 3.05Å; I573-R623 HydrophobicContact CG1-CG 4.26Å; S616-R623 CarbonylContact C-O 3.54Å; S616-R623 WeakPolarHBondContact CA-O 3.48Å; M617-R623 HydrophobicContact CB-CB 4.41Å; M617-R623 PolarHBondContact N-O 2.97Å; D618-R623 VanDerWaalsContact OD2-CB 3.27Å; D618-R623 WeakPolarHBondContact OD2-CB 3.49Å; D618-R623 WeakPolarHBondContact OD2-CG 3.31Å; D618-R623 PolarHBondContact OD2-N 3.1Å
624	Y	98.8	Very high	96.4	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141	176.7	-72.9	-104	0	0	0	111	F592 V614 G615 S616 P621 S622 P801 Y804 M855	F592-Y624 HydrophobicContact CB-CE1 4.5Å; V614-Y624 HydrophobicContact CB-CD1 4.27Å; V614-Y624 HydrophobicContact CG2-CD1 4.01Å; G615-Y624 CarbonylContact O-C 3.56Å; G615-Y624 WeakPolarHBondContact O-CA 3.42Å; G615-Y624 WeakPolarHBondContact O-CD1 3.44Å; S616-Y624 VanDerWaalsContact N-CD1 3.3Å; P621-Y624 WeakPolarHBondContact O-CE2 3.29Å; S622-Y624 WeakPolarHBondContact O-CD2 3.4Å; Y624-P801 HydrophobicContact CE1-CB 3.78Å; Y624-P801 HydrophobicContact CE1-CG 4.43Å; Y624-Y804 HydrophobicContact CD1-CD2 4.17Å; Y624-Y804 AromaticContact CD2-CD2 3.71Å; Y624-Y804 HydrophobicContact CD2-CD2 3.71Å; Y624-Y804 AromaticContact CD2-CE2 3.45Å; Y624-Y804 HydrophobicContact CD2-CE2 3.45Å; Y624-Y804 VanDerWaalsContact CD2-CE2 3.45Å; Y624-Y804 HydrophobicContact CE2-CD2 4.18Å; Y624-Y804 AromaticContact CE2-CE2 3.75Å; Y624-Y804 HydrophobicContact CE2-CE2 3.75Å; Y624-Y804 AromaticContact CG-CD2 3.74Å; Y624-Y804 HydrophobicContact CG-CD2 3.74Å; Y624-Y804 AromaticContact CG-CE2 3.98Å; Y624-Y804 HydrophobicContact CG-CE2 3.98Å; Y624-M855 HydrophobicContact CD2-CE 4.43Å; Y624-M855 PolarHBondContact N-SD 3.48Å; Y624-M855 VanDerWaalsContact N-SD 3.4Å; Y624-M855 WeakPolarHBondContact O-CG 3.48Å
625	C	98.5	Very high	96.1	Very high	8 Å²	8	37 Å²	37	5%	0.054	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	160.9	163.5	-72.3	0	0	0	0	109.9	V614 G615 M617 L648 Q651	V614-C625 CarbonylContact C-O 3.56Å; V614-C625 WeakPolarHBondContact CA-O 3.31Å; V614-C625 WeakPolarHBondContact CB-O 3.46Å; G615-C625 PolarHBondContact N-O 3.38Å; G615-C625 PolarHBondContact O-N 3.07Å; M617-C625 HydrophobicContact CE-CB 3.88Å; M617-C625 HydrophobicContact CG-CB 3.94Å; M617-C625 HydrophobicContact SD-CB 3.96Å; C625-L648 HydrophobicContact CB-CD2 4.17Å; C625-Q651 HydrophobicContact CB-CG 4.37Å
626	A	98.4	Very high	95.9	Very high	7 Å²	7	37.9 Å²	37.9	6%	0.058	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.7	-173.6	0	0	0	0	0	112.1	V614 V808 Y856 F857	V614-A626 HydrophobicContact CG1-CB 3.99Å; A626-V808 HydrophobicContact CB-CB 4.48Å; A626-V808 HydrophobicContact CB-CG1 4.11Å; A626-V808 HydrophobicContact CB-CG2 3.54Å; A626-Y856 HydrophobicContact CB-CE1 4.26Å; A626-F857 HydrophobicContact CB-CD1 3.96Å; A626-F857 HydrophobicContact CB-CE1 3.7Å
627	T	98.6	Very high	95.9	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.3	167.4	58.9	0	0	0	0	108.1	A612 V613 M644 E647 L648	A612-T627 WeakPolarHBondContact CA-O 3.43Å; V613-T627 PolarHBondContact N-O 2.74Å; V613-T627 PolarHBondContact O-N 3.34Å; V613-T627 PolarHBondContact O-OG1 3.14Å; T627-M644 WeakPolarHBondContact O-CE 3.3Å; T627-M644 WeakPolarHBondContact OG1-CB 3.49Å; T627-M644 VanDerWaalsContact OG1-CE 3.26Å; T627-M644 WeakPolarHBondContact OG1-CE 3.3Å; T627-E647 HydrophobicContact CG2-CB 4.01Å; T627-E647 WeakPolarHBondContact CG2-OE2 3.34Å; T627-L648 HydrophobicContact CG2-CD1 4.49Å; T627-L648 HydrophobicContact CG2-CD2 4.1Å; T627-L648 HydrophobicContact CG2-CG 3.96Å
628	V	98.1	Very high	95.9	Very high	10 Å²	10	38.5 Å²	38.5	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.9	-176.2	67	0	0	0	0	110.5	I610 T611 V808 A812 V845	I610-V628 HydrophobicContact CG2-CG2 3.7Å; T611-V628 CarbonylContact O-C 3.58Å; T611-V628 VanDerWaalsContact O-CA 3.3Å; T611-V628 WeakPolarHBondContact O-CA 3.42Å; T611-V628 VanDerWaalsContact O-CG2 3.29Å; T611-V628 WeakPolarHBondContact O-CG2 3.39Å; V628-V808 HydrophobicContact CB-CG1 3.83Å; V628-V808 HydrophobicContact CG2-CG1 4.07Å; V628-A812 HydrophobicContact CG2-CB 3.58Å; V628-V845 HydrophobicContact CG1-CB 4.31Å; V628-V845 HydrophobicContact CG1-CG2 4.49Å; V628-V845 WeakPolarHBondContact CG1-O 3.45Å
629	R	97.3	Very high	95.8	Very high	62 Å²	62	42.5 Å²	42.5	23%	0.234	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.9	178.4	-59.4	-69.3	-174.9	-88.5	-2.3	111.2	I610 T611 D640 M644 E647	I610-R629 WeakPolarHBondContact CA-O 3.28Å; T611-R629 PolarHBondContact N-O 3.09Å; T611-R629 PolarHBondContact O-N 3.45Å; R629-D640 HydrophobicContact CG-CB 3.99Å; R629-M644 HydrophobicContact CG-CE 4.32Å; R629-M644 HydrophobicContact CG-CG 4.18Å; R629-M644 HydrophobicContact CG-SD 3.8Å; R629-E647 IonicContact CZ-OE1 3.57Å; R629-E647 IonicContact NH2-OE1 3.52Å; R629-E647 PolarHBondContact NH2-OE1 3.1Å
630	V	95.8	Very high	95.8	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.1	166.3	-65.7	0	0	0	0	108.4	P608 L816 L841 A842 V845	P608-V630 HydrophobicContact CB-CB 4.06Å; P608-V630 HydrophobicContact CB-CG1 4.48Å; P608-V630 HydrophobicContact CG-CB 4.24Å; P608-V630 HydrophobicContact CG-CG1 4.15Å; V630-L816 HydrophobicContact CG1-CD1 4.07Å; V630-L841 HydrophobicContact CG1-CB 4.48Å; V630-L841 HydrophobicContact CG2-CB 3.97Å; V630-A842 HydrophobicContact CG2-CB 4.16Å; V630-V845 HydrophobicContact CG1-CG1 3.96Å; V630-V845 HydrophobicContact CG1-CG2 4.09Å
631	Q	94.3	Very high	96	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	178.9	176.9	72.2	179.1	30.3	0	0	111.5	P608 S609 T611 Q635 V637	P608-Q631 VanDerWaalsContact CB-O 3.32Å; P608-Q631 WeakPolarHBondContact CB-O 3.48Å; S609-Q631 PolarHBondContact N-O 3.42Å; S609-Q631 VanDerWaalsContact N-O 3.13Å; S609-Q631 PolarHBondContact O-N 3.02Å; T611-Q631 HydrophobicContact CG2-CG 3.8Å; Q631-Q635 PolarHBondContact NE2-O 2.99Å; Q631-V637 PolarHBondContact NE2-O 2.77Å; Q631-V637 PolarHBondContact OE1-O 2.9Å
632	R	92	Very high	96.2	Very high	175 Å²	175	40.5 Å²	40.5	66%	0.66	19%	0.187	S	C	*	.	S	Bend	trans	-51.9	140.2	-176.6	-61.6	-177.9	-179	178.3	1.1	111.5	S609 R634 Q635	S609-R632 PolarHBondContact OG-O 3.41Å; S609-R632 VanDerWaalsContact OG-O 3.12Å; R632-R634 PolarHBondContact O-N 3.16Å; R632-Q635 HydrophobicContact CB-CB 4.21Å; R632-Q635 WeakPolarHBondContact O-CB 3.23Å; R632-Q635 PolarHBondContact O-N 3.43Å
633	P	89.3	Confident	96.3	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	131.6	178.5	-24.9	32.9	0	0	0	111.6	K607 Q635	K607-P633 WeakPolarHBondContact O-CB 3.38Å; K607-P633 WeakPolarHBondContact O-CG 3.46Å; P633-Q635 PolarHBondContact O-N 3.4Å; P633-Q635 VanDerWaalsContact O-N 3.16Å
634	R	88.8	Confident	96.3	Very high	120 Å²	120	38.3 Å²	38.3	45%	0.453	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	14.7	177.9	-52.1	-177.9	-177.2	-73.2	-14.8	116.3	P601 D604 S609 R632	P601-R634 PolarHBondContact O-NH2 3.26Å; D604-R634 PolarHBondContact O-NH2 3.18Å; S609-R634 WeakPolarHBondContact OG-CA 3.12Å; S609-R634 PolarHBondContact OG-N 2.89Å; R632-R634 PolarHBondContact O-N 3.16Å
635	Q	93.3	Very high	96.3	Very high	50 Å²	50	38.2 Å²	38.2	23%	0.234	18%	0.184	C	C	.	.			trans	-76.2	127.1	167	-178.5	176	-26.4	0	0	110.2	H599 Q631 R632 P633 V637	H599-Q635 PolarHBondContact CE1-O 3.25Å; Q631-Q635 PolarHBondContact NE2-O 2.99Å; R632-Q635 HydrophobicContact CB-CB 4.21Å; R632-Q635 WeakPolarHBondContact O-CB 3.23Å; R632-Q635 PolarHBondContact O-N 3.43Å; P633-Q635 PolarHBondContact O-N 3.4Å; P633-Q635 VanDerWaalsContact O-N 3.16Å; Q635-V637 PolarHBondContact NE2-O 3.4Å
636	E	95.1	Very high	96.3	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.084	20%	0.199	C	C	.	.			trans	-89.5	-36.2	-178.9	-170.7	59.3	-139.4	0	0	113.1	H599 I638 R667 V670 V678	H599-E636 IonicContact CE1-OE2 3.57Å; H599-E636 PolarHBondContact CE1-OE2 2.88Å; H599-E636 IonicContact NE2-OE2 3.51Å; H599-E636 PolarHBondContact NE2-OE2 2.68Å; E636-I638 PolarHBondContact O-N 3.38Å; E636-R667 PolarHBondContact O-NH2 3.24Å; E636-R667 IonicContact OE1-CZ 3.15Å; E636-R667 IonicContact OE1-NH1 3.91Å; E636-R667 PolarHBondContact OE1-NH1 3.16Å; E636-R667 IonicContact OE1-NH2 3.91Å; E636-R667 PolarHBondContact OE1-NH2 3.13Å; E636-V670 HydrophobicContact CG-CG2 4.49Å; E636-V678 HydrophobicContact CG-CG2 4.17Å
637	V	97.3	Very high	96.4	Very high	20 Å²	20	46 Å²	46	12%	0.121	21%	0.214	C	C	.	.	S	Bend	trans	-65.4	128.8	176.9	178.9	0	0	0	0	109.4	Q631 Q635 Q639 Q677 V678 Y681 E682	Q631-V637 PolarHBondContact NE2-O 2.77Å; Q631-V637 PolarHBondContact OE1-O 2.9Å; Q635-V637 PolarHBondContact NE2-O 3.4Å; V637-Q639 PolarHBondContact O-N 2.96Å; V637-Q639 VanDerWaalsContact O-N 3.16Å; V637-Q677 HydrophobicContact CG2-CG 4.4Å; V637-V678 HydrophobicContact CG2-CG2 4.1Å; V637-Y681 HydrophobicContact CG1-CD2 4.34Å; V637-Y681 HydrophobicContact CG1-CG 4.21Å; V637-Y681 HydrophobicContact CG2-CD2 4.29Å; V637-E682 HydrophobicContact CG1-CG 4.41Å
638	I	98.3	Very high	96.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	21%	0.213	C	C	.	.			trans	-72.5	105.9	176.1	-59.6	170.1	0	0	0	109.3	A595 V597 T611 V613 E636 D640 L641 M644 E682	A595-I638 HydrophobicContact CB-CD1 3.82Å; V597-I638 HydrophobicContact CG2-CD1 4.3Å; V597-I638 HydrophobicContact CG2-CG1 3.66Å; T611-I638 HydrophobicContact CG2-CB 4.45Å; T611-I638 HydrophobicContact CG2-CG1 4.14Å; T611-I638 HydrophobicContact CG2-CG2 4.18Å; V613-I638 HydrophobicContact CG2-CD1 4.23Å; E636-I638 PolarHBondContact O-N 3.38Å; I638-D640 PolarHBondContact O-N 3.25Å; I638-L641 HydrophobicContact CB-CB 4.09Å; I638-L641 HydrophobicContact CD1-CD1 4.39Å; I638-L641 HydrophobicContact CG2-CB 3.77Å; I638-L641 HydrophobicContact CG2-CD1 4.17Å; I638-M644 HydrophobicContact CG2-SD 3.96Å; I638-E682 WeakPolarHBondContact CG1-OE1 3.36Å; I638-E682 PolarHBondContact N-OE1 3.15Å; I638-E682 VanDerWaalsContact N-OE1 3.07Å
639	Q	96.8	Very high	96.4	Very high	105 Å²	105	45.6 Å²	45.6	49%	0.491	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-43.4	-171.9	-175	171.1	-7	0	0	113	V637 L641	V637-Q639 PolarHBondContact O-N 2.96Å; V637-Q639 VanDerWaalsContact O-N 3.16Å; Q639-L641 PolarHBondContact O-N 2.64Å
640	D	97.6	Very high	96.5	Very high	58 Å²	58	45.4 Å²	45.4	31%	0.31	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	22	-173	-63.2	-29.7	0	0	0	113.1	R629 I638 A642 S643 M644	R629-D640 HydrophobicContact CG-CB 3.99Å; I638-D640 PolarHBondContact O-N 3.25Å; D640-A642 VanDerWaalsContact C-N 3.3Å; D640-A642 PolarHBondContact O-N 2.88Å; D640-S643 PolarHBondContact O-N 3.37Å; D640-S643 VanDerWaalsContact O-N 3.16Å; D640-S643 PolarHBondContact O-OG 3.5Å; D640-M644 WeakPolarHBondContact O-CG 3.31Å; D640-M644 PolarHBondContact O-N 3.39Å
641	L	98.8	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-39.7	-169.3	-176.6	61.2	0	0	0	113	V613 I638 Q639 S643 M644 V645 F665 E682 A685 I686	V613-L641 HydrophobicContact CG2-CD1 3.7Å; I638-L641 HydrophobicContact CB-CB 4.09Å; I638-L641 HydrophobicContact CD1-CD1 4.39Å; I638-L641 HydrophobicContact CG2-CB 3.77Å; I638-L641 HydrophobicContact CG2-CD1 4.17Å; Q639-L641 PolarHBondContact O-N 2.64Å; L641-S643 VanDerWaalsContact C-N 3.33Å; L641-S643 PolarHBondContact O-N 2.96Å; L641-M644 PolarHBondContact O-N 2.82Å; L641-V645 HydrophobicContact CD1-CG2 3.73Å; L641-V645 HydrophobicContact CG-CG2 4.01Å; L641-V645 WeakPolarHBondContact O-CB 3.48Å; L641-V645 WeakPolarHBondContact O-CG2 3.17Å; L641-V645 PolarHBondContact O-N 3.39Å; L641-F665 HydrophobicContact CD1-CE2 4.21Å; L641-F665 HydrophobicContact CD1-CZ 4.2Å; L641-F665 HydrophobicContact CD2-CZ 4.27Å; L641-E682 HydrophobicContact CD2-CB 3.46Å; L641-E682 VanDerWaalsContact CD2-CB 3.46Å; L641-E682 HydrophobicContact CD2-CG 3.69Å; L641-E682 WeakPolarHBondContact CD2-O 3.47Å; L641-A685 HydrophobicContact CB-CB 3.93Å; L641-A685 HydrophobicContact CD2-CB 4.26Å; L641-A685 HydrophobicContact CG-CB 4.26Å; L641-I686 HydrophobicContact CD2-CD1 4.41Å; L641-I686 HydrophobicContact CD2-CG1 4.06Å; L641-I686 HydrophobicContact CG-CG1 4.49Å
642	A	98.7	Very high	96.8	Very high	18 Å²	18	45.2 Å²	45.2	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-46.3	-179.9	0	0	0	0	0	111.5	D640 R646 A685 E688 A689	D640-A642 VanDerWaalsContact C-N 3.3Å; D640-A642 PolarHBondContact O-N 2.88Å; A642-R646 VanDerWaalsContact O-CB 3.28Å; A642-R646 WeakPolarHBondContact O-CB 3.48Å; A642-R646 PolarHBondContact O-N 3.43Å; A642-A685 WeakPolarHBondContact CA-O 3.37Å; A642-A685 HydrophobicContact CB-CB 4.06Å; A642-A685 WeakPolarHBondContact CB-O 3.31Å; A642-E688 HydrophobicContact CB-CB 4.42Å; A642-E688 HydrophobicContact CB-CG 4.43Å; A642-A689 VanDerWaalsContact O-CB 3.26Å; A642-A689 WeakPolarHBondContact O-CB 3.1Å
643	S	98.4	Very high	97.1	Very high	46 Å²	46	41.8 Å²	41.8	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-42.2	177.3	75.1	0	0	0	0	112.3	D640 L641 R646 E647	D640-S643 PolarHBondContact O-N 3.37Å; D640-S643 VanDerWaalsContact O-N 3.16Å; D640-S643 PolarHBondContact O-OG 3.5Å; L641-S643 VanDerWaalsContact C-N 3.33Å; L641-S643 PolarHBondContact O-N 2.96Å; S643-R646 PolarHBondContact O-N 2.87Å; S643-E647 WeakPolarHBondContact O-CG 3.31Å; S643-E647 PolarHBondContact O-N 3.07Å
644	M	98.8	Very high	97.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-45.4	-179.5	-67.4	174.1	82.7	0	0	111.3	V613 T627 R629 I638 D640 L641 E647 L648	V613-M644 HydrophobicContact CB-CB 4.44Å; V613-M644 HydrophobicContact CB-CE 3.88Å; V613-M644 HydrophobicContact CG2-CB 4.43Å; V613-M644 HydrophobicContact CG2-CE 3.6Å; V613-M644 HydrophobicContact CG2-SD 4.1Å; T627-M644 WeakPolarHBondContact O-CE 3.3Å; T627-M644 WeakPolarHBondContact OG1-CB 3.49Å; T627-M644 VanDerWaalsContact OG1-CE 3.26Å; T627-M644 WeakPolarHBondContact OG1-CE 3.3Å; R629-M644 HydrophobicContact CG-CE 4.32Å; R629-M644 HydrophobicContact CG-CG 4.18Å; R629-M644 HydrophobicContact CG-SD 3.8Å; I638-M644 HydrophobicContact CG2-SD 3.96Å; D640-M644 WeakPolarHBondContact O-CG 3.31Å; D640-M644 PolarHBondContact O-N 3.39Å; L641-M644 PolarHBondContact O-N 2.82Å; M644-E647 PolarHBondContact O-N 3.29Å; M644-L648 WeakPolarHBondContact O-CG 3.37Å; M644-L648 PolarHBondContact O-N 3.1Å
645	V	98.9	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-42.3	177.1	173.2	0	0	0	0	110.6	L593 L641 E647 L648 L649 I686 A689	L593-V645 HydrophobicContact CD1-CG1 4.35Å; L593-V645 HydrophobicContact CD1-CG2 4.23Å; L641-V645 HydrophobicContact CD1-CG2 3.73Å; L641-V645 HydrophobicContact CG-CG2 4.01Å; L641-V645 WeakPolarHBondContact O-CB 3.48Å; L641-V645 WeakPolarHBondContact O-CG2 3.17Å; L641-V645 PolarHBondContact O-N 3.39Å; V645-E647 PolarHBondContact O-N 2.76Å; V645-L648 PolarHBondContact O-N 3.16Å; V645-L649 HydrophobicContact CG1-CD1 3.83Å; V645-L649 HydrophobicContact CG1-CG 4.15Å; V645-L649 WeakPolarHBondContact O-CG 3.5Å; V645-L649 PolarHBondContact O-N 2.73Å; V645-I686 HydrophobicContact CG1-CG2 4.44Å; V645-I686 HydrophobicContact CG2-CG1 4.17Å; V645-A689 HydrophobicContact CB-CB 3.87Å; V645-A689 HydrophobicContact CG1-CB 3.76Å
646	R	98.8	Very high	98.2	Very high	96 Å²	96	40.8 Å²	40.8	36%	0.362	20%	0.203	S	C	.	.	H	α-helix	trans	-56.2	-47.6	175.6	-178.4	-173.4	171.5	96.9	0.1	111.7	A642 S643 L648 L649 I650 A689 S692 L693	A642-R646 VanDerWaalsContact O-CB 3.28Å; A642-R646 WeakPolarHBondContact O-CB 3.48Å; A642-R646 PolarHBondContact O-N 3.43Å; S643-R646 PolarHBondContact O-N 2.87Å; R646-L648 VanDerWaalsContact C-N 3.33Å; R646-L648 PolarHBondContact O-N 2.95Å; R646-L649 PolarHBondContact O-N 2.7Å; R646-I650 HydrophobicContact CG-CD1 4.05Å; R646-I650 VanDerWaalsContact O-CG1 3.31Å; R646-I650 WeakPolarHBondContact O-CG1 3.33Å; R646-I650 PolarHBondContact O-N 3.41Å; R646-A689 HydrophobicContact CB-CB 4.26Å; R646-S692 PolarHBondContact NH1-O 3.21Å; R646-S692 PolarHBondContact NH1-OG 2.83Å; R646-L693 HydrophobicContact CG-CD1 4.36Å; R646-L693 HydrophobicContact CG-CD2 3.79Å; R646-L693 HydrophobicContact CG-CG 4.04Å
647	E	98.6	Very high	98.3	Very high	82 Å²	82	48.3 Å²	48.3	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-57.9	-44.7	176.5	-76	177.2	-143.9	0	0	112	T627 R629 S643 M644 V645 I650 Q651	T627-E647 HydrophobicContact CG2-CB 4.01Å; T627-E647 WeakPolarHBondContact CG2-OE2 3.34Å; R629-E647 IonicContact CZ-OE1 3.57Å; R629-E647 IonicContact NH2-OE1 3.52Å; R629-E647 PolarHBondContact NH2-OE1 3.1Å; S643-E647 WeakPolarHBondContact O-CG 3.31Å; S643-E647 PolarHBondContact O-N 3.07Å; M644-E647 PolarHBondContact O-N 3.29Å; V645-E647 PolarHBondContact O-N 2.76Å; E647-I650 PolarHBondContact O-N 3.48Å; E647-Q651 WeakPolarHBondContact O-CB 3.44Å; E647-Q651 PolarHBondContact O-N 2.84Å
648	L	98.9	Very high	98.4	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-68	-39.5	179.9	-67.5	171.5	0	0	0	112.6	L593 V613 M617 C625 T627 M644 V645 R646 Q651 F652	L593-L648 HydrophobicContact CD2-CB 4.5Å; L593-L648 HydrophobicContact CD2-CD1 3.95Å; V613-L648 HydrophobicContact CB-CD1 4.25Å; V613-L648 HydrophobicContact CG1-CD1 3.67Å; M617-L648 HydrophobicContact CE-CB 4.39Å; M617-L648 HydrophobicContact CE-CD2 3.88Å; C625-L648 HydrophobicContact CB-CD2 4.17Å; T627-L648 HydrophobicContact CG2-CD1 4.49Å; T627-L648 HydrophobicContact CG2-CD2 4.1Å; T627-L648 HydrophobicContact CG2-CG 3.96Å; M644-L648 WeakPolarHBondContact O-CG 3.37Å; M644-L648 PolarHBondContact O-N 3.1Å; V645-L648 PolarHBondContact O-N 3.16Å; R646-L648 VanDerWaalsContact C-N 3.33Å; R646-L648 PolarHBondContact O-N 2.95Å; L648-Q651 PolarHBondContact O-N 2.95Å; L648-F652 WeakPolarHBondContact O-CB 3.47Å; L648-F652 PolarHBondContact O-N 3.33Å
649	L	98.9	Very high	98.4	Very high	7 Å²	7	59 Å²	59	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.8	-71.6	172.8	0	0	0	111.6	I591 V645 R646 Q651 F652 Y653 P660 I663 L693 Y697	I591-L649 HydrophobicContact CD1-CD2 4.34Å; I591-L649 HydrophobicContact CG2-CD2 4.19Å; V645-L649 HydrophobicContact CG1-CD1 3.83Å; V645-L649 HydrophobicContact CG1-CG 4.15Å; V645-L649 WeakPolarHBondContact O-CG 3.5Å; V645-L649 PolarHBondContact O-N 2.73Å; R646-L649 PolarHBondContact O-N 2.7Å; L649-Q651 VanDerWaalsContact C-N 3.32Å; L649-Q651 PolarHBondContact O-N 2.9Å; L649-F652 PolarHBondContact O-N 3.29Å; L649-Y653 PolarHBondContact O-N 3.41Å; L649-P660 HydrophobicContact CD2-CG 3.91Å; L649-I663 HydrophobicContact CD2-CD1 4.28Å; L649-L693 HydrophobicContact CB-CD1 3.69Å; L649-L693 HydrophobicContact CD1-CD1 3.72Å; L649-L693 HydrophobicContact CG-CD1 4.38Å; L649-Y697 HydrophobicContact CD1-CE1 4.27Å
650	I	98.7	Very high	98.5	Very high	57 Å²	57	54.1 Å²	54.1	29%	0.292	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-45.2	174	-69	167.7	0	0	0	110.2	R646 E647 Y653 K654 L693	R646-I650 HydrophobicContact CG-CD1 4.05Å; R646-I650 VanDerWaalsContact O-CG1 3.31Å; R646-I650 WeakPolarHBondContact O-CG1 3.33Å; R646-I650 PolarHBondContact O-N 3.41Å; E647-I650 PolarHBondContact O-N 3.48Å; I650-Y653 PolarHBondContact O-N 2.57Å; I650-K654 HydrophobicContact CG2-CD 4.1Å; I650-K654 WeakPolarHBondContact O-CG 3.03Å; I650-K654 PolarHBondContact O-N 2.82Å; I650-L693 HydrophobicContact CD1-CD2 3.81Å; I650-L693 HydrophobicContact CG1-CD2 3.61Å
651	Q	98.5	Very high	98.5	Very high	29 Å²	29	54.1 Å²	54.1	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-37.1	-179.1	-171.6	52.8	51.8	0	0	111.9	M617 C625 E647 L648 L649 K654 S655	M617-Q651 HydrophobicContact SD-CB 4.05Å; M617-Q651 HydrophobicContact SD-CG 3.69Å; C625-Q651 HydrophobicContact CB-CG 4.37Å; E647-Q651 WeakPolarHBondContact O-CB 3.44Å; E647-Q651 PolarHBondContact O-N 2.84Å; L648-Q651 PolarHBondContact O-N 2.95Å; L649-Q651 VanDerWaalsContact C-N 3.32Å; L649-Q651 PolarHBondContact O-N 2.9Å; Q651-K654 PolarHBondContact O-N 3.33Å; Q651-S655 PolarHBondContact NE2-OG 3.48Å; Q651-S655 WeakPolarHBondContact O-CB 3.22Å; Q651-S655 PolarHBondContact O-N 3.16Å; Q651-S655 PolarHBondContact O-OG 3.04Å
652	F	98.8	Very high	98.5	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.022	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-48.3	172.5	-178.7	-86.4	0	0	0	111.4	I591 S616 L648 L649 K654 S655 T656 Y658 P660	I591-F652 HydrophobicContact CB-CD2 4.1Å; I591-F652 HydrophobicContact CB-CE2 4.17Å; I591-F652 HydrophobicContact CD1-CB 3.89Å; I591-F652 HydrophobicContact CD1-CD2 3.96Å; I591-F652 HydrophobicContact CD1-CG 4.11Å; I591-F652 HydrophobicContact CG1-CD2 3.92Å; I591-F652 HydrophobicContact CG1-CE2 4.36Å; I591-F652 HydrophobicContact CG1-CG 4.49Å; S616-F652 VanDerWaalsContact O-CD2 3.26Å; S616-F652 WeakPolarHBondContact O-CD2 3.49Å; L648-F652 WeakPolarHBondContact O-CB 3.47Å; L648-F652 PolarHBondContact O-N 3.33Å; L649-F652 PolarHBondContact O-N 3.29Å; F652-K654 VanDerWaalsContact C-N 3.33Å; F652-K654 PolarHBondContact O-N 3.45Å; F652-S655 PolarHBondContact O-N 3.46Å; F652-S655 VanDerWaalsContact O-N 3.17Å; F652-T656 HydrophobicContact CD1-CG2 4.41Å; F652-T656 WeakPolarHBondContact CD1-OG1 3.15Å; F652-T656 HydrophobicContact CD2-CG2 4.24Å; F652-T656 HydrophobicContact CE1-CG2 4.15Å; F652-T656 VanDerWaalsContact CE1-OG1 3.25Å; F652-T656 WeakPolarHBondContact CE1-OG1 3.41Å; F652-T656 HydrophobicContact CE2-CG2 3.99Å; F652-T656 HydrophobicContact CG-CG2 4.46Å; F652-T656 HydrophobicContact CZ-CG2 3.95Å; F652-T656 WeakPolarHBondContact O-CB 3.47Å; F652-T656 PolarHBondContact O-N 2.9Å; F652-T656 PolarHBondContact O-OG1 2.62Å; F652-Y658 VanDerWaalsContact CD1-O 3.28Å; F652-Y658 WeakPolarHBondContact CD1-O 3.27Å; F652-Y658 WeakPolarHBondContact CE1-O 3.44Å; F652-P660 HydrophobicContact CD1-CG 3.52Å; F652-P660 HydrophobicContact CE1-CG 3.59Å; F652-P660 HydrophobicContact CG-CG 4.1Å; F652-P660 HydrophobicContact CZ-CG 4.23Å
653	Y	98.6	Very high	98.5	Very high	103 Å²	103	55.8 Å²	55.8	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-40.4	177.2	-177.9	-102.6	0	0	0	111.8	L649 I650 S655 R657 K659	L649-Y653 PolarHBondContact O-N 3.41Å; I650-Y653 PolarHBondContact O-N 2.57Å; Y653-S655 VanDerWaalsContact C-N 3.3Å; Y653-S655 PolarHBondContact O-N 2.82Å; Y653-R657 WeakPolarHBondContact O-CA 3.5Å; Y653-R657 PolarHBondContact O-N 3.25Å; Y653-K659 HydrophobicContact CD2-CG 3.98Å; Y653-K659 HydrophobicContact CE2-CG 4.15Å
654	K	98.1	Very high	98.5	Very high	110 Å²	110	53.6 Å²	53.6	48%	0.478	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-38	174.7	-74.7	174.6	-179.5	176.3	0	112.5	I650 Q651 F652	I650-K654 HydrophobicContact CG2-CD 4.1Å; I650-K654 WeakPolarHBondContact O-CG 3.03Å; I650-K654 PolarHBondContact O-N 2.82Å; Q651-K654 PolarHBondContact O-N 3.33Å; F652-K654 VanDerWaalsContact C-N 3.33Å; F652-K654 PolarHBondContact O-N 3.45Å
655	S	97.6	Very high	98.5	Very high	64 Å²	64	53.6 Å²	53.6	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-80.9	-32.6	-177.3	-71.7	0	0	0	0	113.7	M617 Q651 F652 Y653	M617-S655 WeakPolarHBondContact O-CB 3.34Å; Q651-S655 PolarHBondContact NE2-OG 3.48Å; Q651-S655 WeakPolarHBondContact O-CB 3.22Å; Q651-S655 PolarHBondContact O-N 3.16Å; Q651-S655 PolarHBondContact O-OG 3.04Å; F652-S655 PolarHBondContact O-N 3.46Å; F652-S655 VanDerWaalsContact O-N 3.17Å; Y653-S655 VanDerWaalsContact C-N 3.3Å; Y653-S655 PolarHBondContact O-N 2.82Å
656	T	98	Very high	98.5	Very high	31 Å²	31	53.6 Å²	53.6	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-114.9	-20.6	-171.5	67	0	0	0	0	114.2	M617 F652 Y658	M617-T656 WeakPolarHBondContact O-CG2 3.41Å; F652-T656 HydrophobicContact CD1-CG2 4.41Å; F652-T656 WeakPolarHBondContact CD1-OG1 3.15Å; F652-T656 HydrophobicContact CD2-CG2 4.24Å; F652-T656 HydrophobicContact CE1-CG2 4.15Å; F652-T656 VanDerWaalsContact CE1-OG1 3.25Å; F652-T656 WeakPolarHBondContact CE1-OG1 3.41Å; F652-T656 HydrophobicContact CE2-CG2 3.99Å; F652-T656 HydrophobicContact CG-CG2 4.46Å; F652-T656 HydrophobicContact CZ-CG2 3.95Å; F652-T656 WeakPolarHBondContact O-CB 3.47Å; F652-T656 PolarHBondContact O-N 2.9Å; F652-T656 PolarHBondContact O-OG1 2.62Å; T656-Y658 WeakPolarHBondContact O-CD2 3.07Å; T656-Y658 PolarHBondContact O-N 3.39Å; T656-Y658 PolarHBondContact OG1-N 3.4Å; T656-Y658 VanDerWaalsContact OG1-N 3.12Å; T656-Y658 PolarHBondContact OG1-O 3.49Å
657	R	98.4	Very high	98.5	Very high	176 Å²	176	49 Å²	49	66%	0.664	22%	0.222	S	C	*	.	S	Bend	trans	61.6	14.7	-167.1	-54.1	-58.9	-176.5	167.7	2	114.9	Y653	Y653-R657 WeakPolarHBondContact O-CA 3.5Å; Y653-R657 PolarHBondContact O-N 3.25Å
658	Y	98.3	Very high	98.3	Very high	151 Å²	151	46.2 Å²	46.2	59%	0.592	21%	0.21	S	C	*	.			trans	-112.1	144.6	174.3	-69.4	-79.6	0	0	0	111.3	P589 F652 T656	P589-Y658 HydrophobicContact CB-CG 4.35Å; P589-Y658 HydrophobicContact CG-CD1 3.64Å; P589-Y658 HydrophobicContact CG-CG 3.78Å; F652-Y658 VanDerWaalsContact CD1-O 3.28Å; F652-Y658 WeakPolarHBondContact CD1-O 3.27Å; F652-Y658 WeakPolarHBondContact CE1-O 3.44Å; T656-Y658 WeakPolarHBondContact O-CD2 3.07Å; T656-Y658 PolarHBondContact O-N 3.39Å; T656-Y658 PolarHBondContact OG1-N 3.4Å; T656-Y658 VanDerWaalsContact OG1-N 3.12Å; T656-Y658 PolarHBondContact OG1-O 3.49Å
659	K	98.3	Very high	97.5	Very high	97 Å²	97	48.3 Å²	48.3	42%	0.422	23%	0.231	S	C	.	.			trans	-87.1	127.3	165.1	-61.3	179.9	-172.7	173.8	0	107.7	P589 Y653 T661 E694 Y697	P589-K659 WeakPolarHBondContact CB-O 3.35Å; Y653-K659 HydrophobicContact CD2-CG 3.98Å; Y653-K659 HydrophobicContact CE2-CG 4.15Å; K659-T661 PolarHBondContact O-N 3.38Å; K659-E694 WeakPolarHBondContact CE-OE2 3.42Å; K659-E694 IonicContact NZ-OE1 3.66Å; K659-E694 PolarHBondContact NZ-OE1 2.94Å; K659-E694 IonicContact NZ-OE2 3.94Å; K659-E694 PolarHBondContact NZ-OE2 3.49Å; K659-Y697 HydrophobicContact CB-CE2 4.3Å
660	P	98.5	Very high	97.2	Very high	4 Å²	4	48 Å²	48	3%	0.026	23%	0.23	C	C	.	.			trans	-57.6	129.6	175.6	-23.1	31.9	0	0	0	111.2	P589 I591 L649 F652 R662 Y697	P589-P660 CarbonylContact O-C 3.57Å; P589-P660 WeakPolarHBondContact O-CA 3.13Å; I591-P660 HydrophobicContact CB-CB 4.21Å; I591-P660 HydrophobicContact CB-CG 3.92Å; I591-P660 HydrophobicContact CG2-CB 3.83Å; I591-P660 HydrophobicContact CG2-CG 3.8Å; L649-P660 HydrophobicContact CD2-CG 3.91Å; F652-P660 HydrophobicContact CD1-CG 3.52Å; F652-P660 HydrophobicContact CE1-CG 3.59Å; F652-P660 HydrophobicContact CG-CG 4.1Å; F652-P660 HydrophobicContact CZ-CG 4.23Å; P660-R662 VanDerWaalsContact C-N 3.32Å; P660-Y697 WeakPolarHBondContact CD-OH 3.45Å; P660-Y697 VanDerWaalsContact O-CE2 3.25Å; P660-Y697 WeakPolarHBondContact O-CE2 3.4Å; P660-Y697 PolarHBondContact O-OH 3.39Å
661	T	98.5	Very high	96.7	Very high	57 Å²	57	47.9 Å²	47.9	35%	0.35	23%	0.234	S	C	.	.	S	Bend	trans	-84.1	-17.3	166.9	62.6	0	0	0	0	111.2	Q588 P589 K659 P699 G700	Q588-T661 VanDerWaalsContact CB-OG1 3.31Å; Q588-T661 WeakPolarHBondContact CB-OG1 3.47Å; Q588-T661 PolarHBondContact OE1-OG1 2.85Å; P589-T661 PolarHBondContact O-N 3.45Å; P589-T661 PolarHBondContact O-OG1 2.97Å; K659-T661 PolarHBondContact O-N 3.38Å; T661-P699 CarbonylContact O-C 3.52Å; T661-P699 VanDerWaalsContact O-CA 3.31Å; T661-P699 WeakPolarHBondContact O-CA 3.42Å; T661-P699 WeakPolarHBondContact O-CB 3.4Å; T661-G700 PolarHBondContact O-N 3.17Å
662	R	98.6	Very high	96.2	Very high	54 Å²	54	49.9 Å²	49.9	20%	0.204	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.8	-179.4	-53.9	-172.1	176.8	93.5	5.1	112.4	V585 P589 V590 I591 P660 G700 N771	V585-R662 PolarHBondContact O-NH1 2.88Å; P589-R662 PolarHBondContact O-N 3.19Å; V590-R662 HydrophobicContact CB-CB 4.26Å; V590-R662 HydrophobicContact CG2-CB 3.98Å; I591-R662 PolarHBondContact N-O 2.59Å; I591-R662 VanDerWaalsContact N-O 3.08Å; P660-R662 VanDerWaalsContact C-N 3.32Å; R662-G700 CarbonylContact C-O 3.34Å; R662-G700 WeakPolarHBondContact CA-O 3.21Å; R662-N771 VanDerWaalsContact CD-OD1 3.26Å; R662-N771 WeakPolarHBondContact CD-OD1 3.45Å; R662-N771 WeakPolarHBondContact CG-OD1 3.49Å
663	I	98.9	Very high	95.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.9	173	-58.7	179.9	0	0	0	108.6	I591 L593 L649 I686 P699 G700 I701 T702	I591-I663 HydrophobicContact CG2-CB 4.25Å; I591-I663 HydrophobicContact CG2-CG1 3.81Å; I591-I663 HydrophobicContact CG2-CG2 4.27Å; L593-I663 HydrophobicContact CD1-CG2 3.65Å; L593-I663 HydrophobicContact CG-CG2 4.16Å; L649-I663 HydrophobicContact CD2-CD1 4.28Å; I663-I686 HydrophobicContact CD1-CG2 4Å; I663-I686 HydrophobicContact CG2-CG2 4.45Å; I663-P699 HydrophobicContact CD1-CB 4.42Å; I663-P699 HydrophobicContact CD1-CG 3.62Å; I663-P699 HydrophobicContact CG1-CB 4.22Å; I663-P699 HydrophobicContact CG1-CG 3.96Å; I663-G700 PolarHBondContact N-O 3.26Å; I663-I701 HydrophobicContact CB-CG1 4.39Å; I663-I701 WeakPolarHBondContact O-CA 3.42Å; I663-T702 PolarHBondContact O-N 3.2Å
664	I	98.9	Very high	95.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.4	176.9	-47.5	-56.7	0	0	0	108.8	V585 V590 I591 F592 L593 Y666 I704 F773	V585-I664 HydrophobicContact CG2-CD1 4.48Å; V590-I664 HydrophobicContact CG2-CG1 3.71Å; I591-I664 PolarHBondContact O-N 3.1Å; F592-I664 HydrophobicContact CD1-CB 3.8Å; F592-I664 HydrophobicContact CD1-CG1 4.13Å; F592-I664 HydrophobicContact CD1-CG2 4.16Å; F592-I664 HydrophobicContact CE1-CB 4.06Å; F592-I664 HydrophobicContact CE1-CG1 3.91Å; F592-I664 HydrophobicContact CE1-CG2 4.34Å; L593-I664 PolarHBondContact N-O 2.91Å; I664-Y666 HydrophobicContact CG2-CD2 4.32Å; I664-Y666 HydrophobicContact CG2-CE2 3.7Å; I664-I704 HydrophobicContact CG2-CD1 3.87Å; I664-F773 HydrophobicContact CD1-CE2 3.64Å; I664-F773 HydrophobicContact CD1-CZ 3.81Å
665	F	98.9	Very high	95	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.3	-169.5	-172	-97.3	0	0	0	112.2	L593 A595 V613 L641 R667 I686 T702 Y703 I704	L593-F665 HydrophobicContact CB-CD2 3.55Å; L593-F665 HydrophobicContact CB-CE2 4.22Å; L593-F665 HydrophobicContact CB-CG 4.43Å; L593-F665 HydrophobicContact CD1-CD2 3.85Å; L593-F665 HydrophobicContact CD1-CE2 4.42Å; L593-F665 HydrophobicContact CG-CD2 4.34Å; A595-F665 HydrophobicContact CB-CE1 4.06Å; A595-F665 HydrophobicContact CB-CE2 3.82Å; A595-F665 HydrophobicContact CB-CZ 3.34Å; V613-F665 HydrophobicContact CG1-CE2 4.33Å; L641-F665 HydrophobicContact CD1-CE2 4.21Å; L641-F665 HydrophobicContact CD1-CZ 4.2Å; L641-F665 HydrophobicContact CD2-CZ 4.27Å; F665-R667 HydrophobicContact CD1-CB 4.16Å; F665-R667 HydrophobicContact CE1-CB 3.78Å; F665-R667 HydrophobicContact CE1-CG 4.3Å; F665-I686 HydrophobicContact CB-CD1 4.47Å; F665-I686 HydrophobicContact CD1-CD1 4.31Å; F665-I686 HydrophobicContact CD2-CD1 4.02Å; F665-I686 HydrophobicContact CE2-CD1 4.31Å; F665-I686 HydrophobicContact CG-CD1 4.03Å; F665-T702 PolarHBondContact N-O 3.49Å; F665-Y703 AromaticContact CD1-CD2 3.5Å; F665-Y703 HydrophobicContact CD1-CD2 3.5Å; F665-Y703 VanDerWaalsContact CD1-CD2 3.5Å; F665-Y703 HydrophobicContact CD1-CE1 4.43Å; F665-Y703 AromaticContact CD1-CE2 3.32Å; F665-Y703 HydrophobicContact CD1-CE2 3.32Å; F665-Y703 HydrophobicContact CD1-CG 4.14Å; F665-Y703 AromaticContact CD1-CZ 3.83Å; F665-Y703 HydrophobicContact CE1-CD2 4.01Å; F665-Y703 AromaticContact CE1-CE2 3.32Å; F665-Y703 HydrophobicContact CE1-CE2 3.32Å; F665-Y703 AromaticContact CE1-CZ 3.66Å; F665-Y703 HydrophobicContact CG-CD2 4.3Å; F665-Y703 HydrophobicContact CG-CE2 4.4Å; F665-Y703 HydrophobicContact CZ-CE2 4.43Å; F665-I704 PolarHBondContact O-N 2.99Å
666	Y	98.9	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.1	174.3	-70.3	-87.5	0	0	0	111.2	L593 G594 A595 I664 I704 V706 Y764 F778 T782 L785 P799 P801	L593-Y666 PolarHBondContact O-N 3.22Å; G594-Y666 CarbonylContact C-O 3.57Å; G594-Y666 WeakPolarHBondContact CA-O 3.16Å; A595-Y666 PolarHBondContact N-O 3.45Å; I664-Y666 HydrophobicContact CG2-CD2 4.32Å; I664-Y666 HydrophobicContact CG2-CE2 3.7Å; Y666-I704 HydrophobicContact CD1-CB 4.32Å; Y666-I704 HydrophobicContact CD1-CG2 4.39Å; Y666-I704 HydrophobicContact CE1-CD1 4.42Å; Y666-I704 HydrophobicContact CE1-CG2 4.47Å; Y666-V706 HydrophobicContact CD1-CG2 3.64Å; Y666-V706 HydrophobicContact CG-CG2 4.39Å; Y666-Y764 HydrophobicContact CE1-CD1 4.3Å; Y666-Y764 HydrophobicContact CE1-CE1 4.31Å; Y666-F778 HydrophobicContact CE1-CZ 4.17Å; Y666-T782 HydrophobicContact CE1-CG2 4.18Å; Y666-T782 PolarHBondContact OH-OG1 3.1Å; Y666-L785 HydrophobicContact CE2-CD1 3.56Å; Y666-P799 HydrophobicContact CD1-CB 4.48Å; Y666-P799 HydrophobicContact CD1-CG 3.89Å; Y666-P799 HydrophobicContact CE1-CB 4.49Å; Y666-P799 HydrophobicContact CE1-CG 3.74Å; Y666-P799 HydrophobicContact CG-CG 4.41Å; Y666-P801 HydrophobicContact CD2-CG 4.16Å
667	R	98.4	Very high	94.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.1	179.8	-176.2	69	176.4	73.7	8.9	111.4	V597 E636 F665 V670 E682 Y703 I704 V705 V706	V597-R667 VanDerWaalsContact CG2-NH2 3.32Å; E636-R667 PolarHBondContact O-NH2 3.24Å; E636-R667 IonicContact OE1-CZ 3.15Å; E636-R667 IonicContact OE1-NH1 3.91Å; E636-R667 PolarHBondContact OE1-NH1 3.16Å; E636-R667 IonicContact OE1-NH2 3.91Å; E636-R667 PolarHBondContact OE1-NH2 3.13Å; F665-R667 HydrophobicContact CD1-CB 4.16Å; F665-R667 HydrophobicContact CE1-CB 3.78Å; F665-R667 HydrophobicContact CE1-CG 4.3Å; R667-V670 HydrophobicContact CG-CG2 3.61Å; R667-E682 WeakPolarHBondContact CD-OE2 3.46Å; R667-E682 IonicContact CZ-OE1 3.09Å; R667-E682 IonicContact NE-OE1 3.71Å; R667-E682 PolarHBondContact NE-OE1 2.8Å; R667-E682 IonicContact NE-OE2 2.76Å; R667-E682 PolarHBondContact NE-OE2 3.48Å; R667-E682 IonicContact NH2-OE1 3.17Å; R667-Y703 HydrophobicContact CB-CE1 4.03Å; R667-Y703 HydrophobicContact CG-CE1 4.46Å; R667-Y703 WeakPolarHBondContact CG-OH 3.41Å; R667-I704 PolarHBondContact N-O 3.43Å; R667-V705 CarbonylContact O-C 3.57Å; R667-V705 WeakPolarHBondContact O-CA 3.5Å; R667-V706 PolarHBondContact O-N 3.23Å
668	D	94.4	Very high	94.3	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140	-179.8	-171.3	20.9	0	0	0	112.7	A595 V670 V706	A595-D668 PolarHBondContact O-N 3.33Å; D668-V670 PolarHBondContact O-N 2.86Å; D668-V706 WeakPolarHBondContact CA-O 3.46Å
669	G	81.4	Confident	94.2	Very high	46 Å²	46	39 Å²	39	47%	0.474	22%	0.218	S	C	.	.	S	Bend	trans	89.1	1	158.6	0	0	0	0	0	117.5	V706	G669-V706 PolarHBondContact N-O 2.86Å
670	V	92.6	Very high	94.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	21%	0.211	C	C	.	.			trans	-73.3	135.1	176.9	-173.6	0	0	0	0	110.3	E636 R667 D668 Q674 F675 V678 V705 Q707	E636-V670 HydrophobicContact CG-CG2 4.49Å; R667-V670 HydrophobicContact CG-CG2 3.61Å; D668-V670 PolarHBondContact O-N 2.86Å; V670-Q674 HydrophobicContact CG1-CB 4.05Å; V670-F675 HydrophobicContact CB-CD1 4.45Å; V670-F675 HydrophobicContact CB-CE1 4.43Å; V670-F675 HydrophobicContact CG1-CD1 3.88Å; V670-F675 HydrophobicContact CG1-CE1 4.3Å; V670-V678 HydrophobicContact CG1-CB 4.09Å; V670-V678 HydrophobicContact CG1-CG1 4.4Å; V670-V678 HydrophobicContact CG1-CG2 3.78Å; V670-V678 HydrophobicContact CG2-CG1 4.06Å; V670-V678 HydrophobicContact CG2-CG2 4.49Å; V670-V705 HydrophobicContact CB-CG1 3.98Å; V670-V705 HydrophobicContact CB-CG2 4.41Å; V670-Q707 PolarHBondContact O-NE2 3.17Å
671	S	88.4	Confident	94.1	Very high	54 Å²	54	42.2 Å²	42.2	38%	0.378	23%	0.228	S	C	.	.			trans	-83.5	150.2	174.8	73.3	0	0	0	0	112	G673 Q674 F675	S671-G673 PolarHBondContact O-N 2.86Å; S671-Q674 WeakPolarHBondContact O-CA 3.27Å; S671-Q674 PolarHBondContact O-N 2.98Å; S671-Q674 PolarHBondContact OG-OE1 3.45Å; S671-F675 WeakPolarHBondContact O-CD1 3.43Å; S671-F675 PolarHBondContact O-N 2.93Å
672	E	87.9	Confident	94.1	Very high	71 Å²	71	39.6 Å²	39.6	33%	0.332	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-53.6	-39.7	-178.9	-74.4	164.4	-165.2	0	0	113.4	R206 Q674 F675	R206-E672 IonicContact CZ-OE1 3.45Å; R206-E672 IonicContact CZ-OE2 3.27Å; R206-E672 VanDerWaalsContact NH1-CD 3.29Å; R206-E672 IonicContact NH1-OE1 3.16Å; R206-E672 PolarHBondContact NH1-OE1 2.8Å; R206-E672 IonicContact NH1-OE2 3.68Å; R206-E672 PolarHBondContact NH1-OE2 3.39Å; R206-E672 IonicContact NH2-OE1 3.41Å; R206-E672 PolarHBondContact NH2-OE1 3.44Å; R206-E672 IonicContact NH2-OE2 3.76Å; E672-Q674 PolarHBondContact O-N 3.38Å; E672-F675 HydrophobicContact CB-CE2 4.31Å; E672-F675 HydrophobicContact CB-CZ 4.34Å; E672-F675 HydrophobicContact CG-CD2 4.39Å; E672-F675 HydrophobicContact CG-CE1 4.3Å; E672-F675 HydrophobicContact CG-CE2 3.72Å; E672-F675 HydrophobicContact CG-CZ 3.67Å; E672-F675 PolarHBondContact O-N 3.06Å; E672-F675 VanDerWaalsContact O-N 3.16Å
673	G	86.6	Confident	94	Very high	82 Å²	82	37 Å²	37	85%	0.845	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.3	-10	177.4	0	0	0	0	0	114.4	S671	S671-G673 PolarHBondContact O-N 2.86Å
674	Q	91	Very high	94	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-114.4	-3	179.5	-62.7	174.7	-69.2	0	0	113.2	V670 S671 E672 R676 Q677 V678	V670-Q674 HydrophobicContact CG1-CB 4.05Å; S671-Q674 WeakPolarHBondContact O-CA 3.27Å; S671-Q674 PolarHBondContact O-N 2.98Å; S671-Q674 PolarHBondContact OG-OE1 3.45Å; E672-Q674 PolarHBondContact O-N 3.38Å; Q674-R676 VanDerWaalsContact C-N 3.34Å; Q674-R676 PolarHBondContact O-N 3.26Å; Q674-Q677 PolarHBondContact O-N 2.96Å; Q674-V678 HydrophobicContact CB-CG2 4.2Å; Q674-V678 WeakPolarHBondContact O-CG2 3.42Å; Q674-V678 PolarHBondContact O-N 3.36Å
675	F	93.5	Very high	94	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.075	22%	0.223	C	C	.	.	H	α-helix	trans	-52.2	-50.7	-176.4	-76.7	-0.1	0	0	0	112.3	V670 S671 E672 Q677 V678 L679 V705 H765 L767	V670-F675 HydrophobicContact CB-CD1 4.45Å; V670-F675 HydrophobicContact CB-CE1 4.43Å; V670-F675 HydrophobicContact CG1-CD1 3.88Å; V670-F675 HydrophobicContact CG1-CE1 4.3Å; S671-F675 WeakPolarHBondContact O-CD1 3.43Å; S671-F675 PolarHBondContact O-N 2.93Å; E672-F675 HydrophobicContact CB-CE2 4.31Å; E672-F675 HydrophobicContact CB-CZ 4.34Å; E672-F675 HydrophobicContact CG-CD2 4.39Å; E672-F675 HydrophobicContact CG-CE1 4.3Å; E672-F675 HydrophobicContact CG-CE2 3.72Å; E672-F675 HydrophobicContact CG-CZ 3.67Å; E672-F675 PolarHBondContact O-N 3.06Å; E672-F675 VanDerWaalsContact O-N 3.16Å; F675-Q677 PolarHBondContact O-N 3.47Å; F675-V678 PolarHBondContact O-N 3.48Å; F675-L679 WeakPolarHBondContact O-CB 3.31Å; F675-L679 PolarHBondContact O-N 3.32Å; F675-V705 HydrophobicContact CD1-CG2 4.35Å; F675-V705 HydrophobicContact CE1-CB 4.17Å; F675-V705 HydrophobicContact CE1-CG1 3.77Å; F675-V705 HydrophobicContact CE1-CG2 4.19Å; F675-V705 HydrophobicContact CZ-CB 4.36Å; F675-V705 HydrophobicContact CZ-CG1 4.17Å; F675-H765 HydrophobicContact CE2-CB 4.14Å; F675-H765 AromaticContact CE2-CG 3.83Å; F675-H765 AromaticContact CE2-ND1 3.9Å; F675-H765 HydrophobicContact CZ-CB 4.37Å; F675-L767 HydrophobicContact CB-CD1 3.96Å; F675-L767 HydrophobicContact CB-CD2 4.18Å; F675-L767 HydrophobicContact CD1-CD1 4.38Å; F675-L767 HydrophobicContact CD2-CD1 4.42Å; F675-L767 HydrophobicContact CD2-CD2 3.7Å; F675-L767 HydrophobicContact CE2-CD2 4.29Å; F675-L767 HydrophobicContact CG-CD1 4.03Å; F675-L767 HydrophobicContact CG-CD2 4.09Å
676	R	90.7	Very high	94	Very high	144 Å²	144	40.8 Å²	40.8	54%	0.543	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-47.8	-178.7	-65.8	-178.8	179.2	-179.1	-4.4	112.2	Q674 Y680	Q674-R676 VanDerWaalsContact C-N 3.34Å; Q674-R676 PolarHBondContact O-N 3.26Å; R676-Y680 WeakPolarHBondContact O-CB 3.33Å; R676-Y680 PolarHBondContact O-N 2.85Å; R676-Y680 VanDerWaalsContact O-N 3.08Å
677	Q	92.4	Very high	94	Very high	95 Å²	95	44.5 Å²	44.5	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-47.4	-178.2	-172.9	-179	14	0	0	111	V637 Q674 F675 Y680 Y681	V637-Q677 HydrophobicContact CG2-CG 4.4Å; Q674-Q677 PolarHBondContact O-N 2.96Å; F675-Q677 PolarHBondContact O-N 3.47Å; Q677-Y680 PolarHBondContact O-N 3.4Å; Q677-Y681 HydrophobicContact CG-CD2 4.13Å; Q677-Y681 HydrophobicContact CG-CE2 3.95Å; Q677-Y681 WeakPolarHBondContact O-CD2 3.45Å; Q677-Y681 PolarHBondContact O-N 3.08Å
678	V	95.7	Very high	93.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-47.4	-178.4	176.3	0	0	0	0	110.9	E636 V637 V670 Q674 F675 Y680 Y681 E682	E636-V678 HydrophobicContact CG-CG2 4.17Å; V637-V678 HydrophobicContact CG2-CG2 4.1Å; V670-V678 HydrophobicContact CG1-CB 4.09Å; V670-V678 HydrophobicContact CG1-CG1 4.4Å; V670-V678 HydrophobicContact CG1-CG2 3.78Å; V670-V678 HydrophobicContact CG2-CG1 4.06Å; V670-V678 HydrophobicContact CG2-CG2 4.49Å; Q674-V678 HydrophobicContact CB-CG2 4.2Å; Q674-V678 WeakPolarHBondContact O-CG2 3.42Å; Q674-V678 PolarHBondContact O-N 3.36Å; F675-V678 PolarHBondContact O-N 3.48Å; V678-Y680 VanDerWaalsContact C-N 3.33Å; V678-Y680 PolarHBondContact O-N 2.97Å; V678-Y681 PolarHBondContact O-N 3.41Å; V678-E682 VanDerWaalsContact CG1-CD 3.44Å; V678-E682 HydrophobicContact CG1-CG 4.02Å; V678-E682 WeakPolarHBondContact CG1-OE1 3.27Å; V678-E682 VanDerWaalsContact O-CB 3.27Å; V678-E682 WeakPolarHBondContact O-CB 3.25Å; V678-E682 WeakPolarHBondContact O-CG 3.47Å; V678-E682 PolarHBondContact O-N 2.98Å
679	L	96.7	Very high	94.1	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-55.5	-48.4	177.4	178.2	67.9	0	0	0	111.4	F22 F675 Y681 E682 L683 Y703 L767 W768	F22-L679 HydrophobicContact CB-CD2 4.07Å; F675-L679 WeakPolarHBondContact O-CB 3.31Å; F675-L679 PolarHBondContact O-N 3.32Å; L679-Y681 PolarHBondContact O-N 2.9Å; L679-E682 PolarHBondContact O-N 3.5Å; L679-L683 HydrophobicContact CD1-CB 4.16Å; L679-L683 HydrophobicContact CD1-CD2 4.32Å; L679-L683 WeakPolarHBondContact O-CB 3.33Å; L679-L683 PolarHBondContact O-N 2.84Å; L679-Y703 HydrophobicContact CD1-CD1 3.94Å; L679-Y703 HydrophobicContact CD1-CD2 4.26Å; L679-Y703 HydrophobicContact CD1-CE1 4.41Å; L679-Y703 HydrophobicContact CD1-CG 3.87Å; L679-L767 HydrophobicContact CB-CD1 4.23Å; L679-L767 HydrophobicContact CD1-CB 3.81Å; L679-L767 HydrophobicContact CD2-CB 4Å; L679-L767 WeakPolarHBondContact CD2-O 3.49Å; L679-L767 HydrophobicContact CG-CB 4.35Å; L679-W768 HydrophobicContact CD1-CB 4.17Å
680	Y	95.9	Very high	95	Very high	72 Å²	72	47.1 Å²	47.1	28%	0.282	24%	0.237	S	C	.	.	H	α-helix	trans	-55.3	-53.2	-176.5	177.7	-93.2	0	0	0	112	L18 F22 R676 Q677 V678 L684	L18-Y680 HydrophobicContact CD2-CD1 3.63Å; L18-Y680 HydrophobicContact CD2-CD2 4.11Å; L18-Y680 HydrophobicContact CD2-CE1 3.57Å; L18-Y680 HydrophobicContact CD2-CE2 4.05Å; L18-Y680 HydrophobicContact CD2-CG 3.9Å; F22-Y680 AromaticContact CD2-CD2 3.92Å; F22-Y680 HydrophobicContact CD2-CD2 3.92Å; F22-Y680 AromaticContact CE2-CD2 3.95Å; F22-Y680 HydrophobicContact CE2-CD2 3.95Å; F22-Y680 HydrophobicContact CE2-CE2 4.33Å; R676-Y680 WeakPolarHBondContact O-CB 3.33Å; R676-Y680 PolarHBondContact O-N 2.85Å; R676-Y680 VanDerWaalsContact O-N 3.08Å; Q677-Y680 PolarHBondContact O-N 3.4Å; V678-Y680 VanDerWaalsContact C-N 3.33Å; V678-Y680 PolarHBondContact O-N 2.97Å; Y680-L684 HydrophobicContact CD1-CD1 4.32Å; Y680-L684 HydrophobicContact CD2-CD1 4.5Å; Y680-L684 HydrophobicContact CE1-CD1 3.92Å; Y680-L684 HydrophobicContact CE2-CD1 4.12Å; Y680-L684 WeakPolarHBondContact O-CB 3.47Å; Y680-L684 WeakPolarHBondContact O-CD1 3.24Å; Y680-L684 VanDerWaalsContact O-CG 3.22Å; Y680-L684 WeakPolarHBondContact O-CG 3.27Å; Y680-L684 PolarHBondContact O-N 3.34Å
681	Y	96.9	Very high	95.2	Very high	98 Å²	98	51 Å²	51	38%	0.384	26%	0.257	S	S	.	.	H	α-helix	trans	-73.3	-41.5	-178	-69.6	-70	0	0	0	112.4	V637 Q677 V678 L679 A685	V637-Y681 HydrophobicContact CG1-CD2 4.34Å; V637-Y681 HydrophobicContact CG1-CG 4.21Å; V637-Y681 HydrophobicContact CG2-CD2 4.29Å; Q677-Y681 HydrophobicContact CG-CD2 4.13Å; Q677-Y681 HydrophobicContact CG-CE2 3.95Å; Q677-Y681 WeakPolarHBondContact O-CD2 3.45Å; Q677-Y681 PolarHBondContact O-N 3.08Å; V678-Y681 PolarHBondContact O-N 3.41Å; L679-Y681 PolarHBondContact O-N 2.9Å; Y681-A685 WeakPolarHBondContact O-CB 3.45Å; Y681-A685 PolarHBondContact O-N 2.73Å
682	E	98.5	Very high	95.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-75.9	-37.3	-173.6	-68.2	-169.4	-171.7	0	0	112.8	V637 I638 L641 R667 V678 L679 A685 I686 Y703	V637-E682 HydrophobicContact CG1-CG 4.41Å; I638-E682 WeakPolarHBondContact CG1-OE1 3.36Å; I638-E682 PolarHBondContact N-OE1 3.15Å; I638-E682 VanDerWaalsContact N-OE1 3.07Å; L641-E682 HydrophobicContact CD2-CB 3.46Å; L641-E682 VanDerWaalsContact CD2-CB 3.46Å; L641-E682 HydrophobicContact CD2-CG 3.69Å; L641-E682 WeakPolarHBondContact CD2-O 3.47Å; R667-E682 WeakPolarHBondContact CD-OE2 3.46Å; R667-E682 IonicContact CZ-OE1 3.09Å; R667-E682 IonicContact NE-OE1 3.71Å; R667-E682 PolarHBondContact NE-OE1 2.8Å; R667-E682 IonicContact NE-OE2 2.76Å; R667-E682 PolarHBondContact NE-OE2 3.48Å; R667-E682 IonicContact NH2-OE1 3.17Å; V678-E682 VanDerWaalsContact CG1-CD 3.44Å; V678-E682 HydrophobicContact CG1-CG 4.02Å; V678-E682 WeakPolarHBondContact CG1-OE1 3.27Å; V678-E682 VanDerWaalsContact O-CB 3.27Å; V678-E682 WeakPolarHBondContact O-CB 3.25Å; V678-E682 WeakPolarHBondContact O-CG 3.47Å; V678-E682 PolarHBondContact O-N 2.98Å; L679-E682 PolarHBondContact O-N 3.5Å; E682-A685 PolarHBondContact O-N 3.49Å; E682-I686 WeakPolarHBondContact O-CG1 3.18Å; E682-I686 PolarHBondContact O-N 3.23Å; E682-Y703 HydrophobicContact CB-CE2 3.89Å; E682-Y703 PolarHBondContact OE2-OH 2.8Å
683	L	98.2	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-43.2	175.3	-178.2	62.1	0	0	0	111.4	F22 L679 A685 I686 R687 I701 W768	F22-L683 HydrophobicContact CD1-CD2 3.96Å; F22-L683 HydrophobicContact CD2-CD2 4.38Å; F22-L683 HydrophobicContact CE1-CD2 4.13Å; F22-L683 HydrophobicContact CG-CD2 4.11Å; F22-L683 HydrophobicContact CZ-CD2 4.41Å; L679-L683 HydrophobicContact CD1-CB 4.16Å; L679-L683 HydrophobicContact CD1-CD2 4.32Å; L679-L683 WeakPolarHBondContact O-CB 3.33Å; L679-L683 PolarHBondContact O-N 2.84Å; L683-A685 VanDerWaalsContact C-N 3.32Å; L683-A685 PolarHBondContact O-N 3.36Å; L683-I686 PolarHBondContact O-N 3.39Å; L683-R687 PolarHBondContact O-N 2.81Å; L683-I701 HydrophobicContact CD1-CB 4.24Å; L683-I701 HydrophobicContact CD1-CD1 3.91Å; L683-I701 HydrophobicContact CD1-CG2 3.81Å; L683-W768 HydrophobicContact CD1-CG 4.16Å; L683-W768 HydrophobicContact CD2-CB 4.25Å; L683-W768 HydrophobicContact CD2-CD2 3.63Å; L683-W768 HydrophobicContact CD2-CE3 4.03Å; L683-W768 HydrophobicContact CD2-CG 3.71Å
684	L	97.9	Very high	96.7	Very high	66 Å²	66	51.1 Å²	51.1	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-42.9	174.7	-73.1	176.4	0	0	0	111.3	F22 Y680 I686 R687 E688	F22-L684 HydrophobicContact CE2-CD1 4.38Å; F22-L684 HydrophobicContact CE2-CD2 4.04Å; F22-L684 HydrophobicContact CE2-CG 3.94Å; F22-L684 HydrophobicContact CZ-CD2 3.78Å; F22-L684 HydrophobicContact CZ-CG 4.2Å; Y680-L684 HydrophobicContact CD1-CD1 4.32Å; Y680-L684 HydrophobicContact CD2-CD1 4.5Å; Y680-L684 HydrophobicContact CE1-CD1 3.92Å; Y680-L684 HydrophobicContact CE2-CD1 4.12Å; Y680-L684 WeakPolarHBondContact O-CB 3.47Å; Y680-L684 WeakPolarHBondContact O-CD1 3.24Å; Y680-L684 VanDerWaalsContact O-CG 3.22Å; Y680-L684 WeakPolarHBondContact O-CG 3.27Å; Y680-L684 PolarHBondContact O-N 3.34Å; L684-I686 VanDerWaalsContact C-N 3.35Å; L684-I686 PolarHBondContact O-N 2.97Å; L684-R687 PolarHBondContact O-N 3Å; L684-E688 WeakPolarHBondContact O-CB 3.49Å; L684-E688 PolarHBondContact O-N 2.75Å
685	A	98.6	Very high	96.8	Very high	13 Å²	13	56.6 Å²	56.6	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-36.7	177.8	0	0	0	0	0	113	L641 A642 Y681 E682 L683 A689	L641-A685 HydrophobicContact CB-CB 3.93Å; L641-A685 HydrophobicContact CD2-CB 4.26Å; L641-A685 HydrophobicContact CG-CB 4.26Å; A642-A685 WeakPolarHBondContact CA-O 3.37Å; A642-A685 HydrophobicContact CB-CB 4.06Å; A642-A685 WeakPolarHBondContact CB-O 3.31Å; Y681-A685 WeakPolarHBondContact O-CB 3.45Å; Y681-A685 PolarHBondContact O-N 2.73Å; E682-A685 PolarHBondContact O-N 3.49Å; L683-A685 VanDerWaalsContact C-N 3.32Å; L683-A685 PolarHBondContact O-N 3.36Å; A685-A689 WeakPolarHBondContact O-CB 3.41Å; A685-A689 PolarHBondContact O-N 3.29Å
686	I	98.8	Very high	96.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.4	-44.1	174	-64.5	162.7	0	0	0	110.4	L641 V645 I663 F665 E682 L683 L684 A689 C690 I701 Y703	L641-I686 HydrophobicContact CD2-CD1 4.41Å; L641-I686 HydrophobicContact CD2-CG1 4.06Å; L641-I686 HydrophobicContact CG-CG1 4.49Å; V645-I686 HydrophobicContact CG1-CG2 4.44Å; V645-I686 HydrophobicContact CG2-CG1 4.17Å; I663-I686 HydrophobicContact CD1-CG2 4Å; I663-I686 HydrophobicContact CG2-CG2 4.45Å; F665-I686 HydrophobicContact CB-CD1 4.47Å; F665-I686 HydrophobicContact CD1-CD1 4.31Å; F665-I686 HydrophobicContact CD2-CD1 4.02Å; F665-I686 HydrophobicContact CE2-CD1 4.31Å; F665-I686 HydrophobicContact CG-CD1 4.03Å; E682-I686 WeakPolarHBondContact O-CG1 3.18Å; E682-I686 PolarHBondContact O-N 3.23Å; L683-I686 PolarHBondContact O-N 3.39Å; L684-I686 VanDerWaalsContact C-N 3.35Å; L684-I686 PolarHBondContact O-N 2.97Å; I686-A689 WeakPolarHBondContact O-CB 3.48Å; I686-A689 PolarHBondContact O-N 3.45Å; I686-C690 PolarHBondContact O-N 2.76Å; I686-C690 PolarHBondContact O-SG 2.86Å; I686-I701 HydrophobicContact CB-CD1 4.21Å; I686-I701 HydrophobicContact CG2-CD1 3.58Å; I686-I701 HydrophobicContact CG2-CG1 4.1Å; I686-Y703 HydrophobicContact CD1-CD2 4.14Å; I686-Y703 HydrophobicContact CD1-CE2 4.35Å
687	R	98.4	Very high	97.2	Very high	79 Å²	79	58.1 Å²	58.1	30%	0.298	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.4	-72.2	-179.6	173.2	174.7	-0.2	111.9	L683 L684 A689 C690 I691 I701 D770	L683-R687 PolarHBondContact O-N 2.81Å; L684-R687 PolarHBondContact O-N 3Å; R687-A689 VanDerWaalsContact C-N 3.32Å; R687-A689 PolarHBondContact O-N 2.87Å; R687-C690 WeakPolarHBondContact O-CB 3.4Å; R687-C690 PolarHBondContact O-N 2.79Å; R687-C690 VanDerWaalsContact O-N 3.14Å; R687-I691 WeakPolarHBondContact O-CG1 3.42Å; R687-I691 PolarHBondContact O-N 2.86Å; R687-I701 HydrophobicContact CG-CD1 3.69Å; R687-D770 IonicContact NH2-OD1 2.92Å
688	E	98.3	Very high	97.5	Very high	121 Å²	121	61 Å²	61	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-57.6	-44.7	174.8	-175.9	-171.7	167.5	0	0	111.2	A642 L684 C690 I691 S692	A642-E688 HydrophobicContact CB-CB 4.42Å; A642-E688 HydrophobicContact CB-CG 4.43Å; L684-E688 WeakPolarHBondContact O-CB 3.49Å; L684-E688 PolarHBondContact O-N 2.75Å; E688-C690 VanDerWaalsContact C-N 3.28Å; E688-C690 PolarHBondContact O-N 3.23Å; E688-I691 PolarHBondContact O-N 2.97Å; E688-S692 WeakPolarHBondContact O-CB 3.49Å; E688-S692 PolarHBondContact O-N 3.34Å; E688-S692 PolarHBondContact O-OG 3.35Å
689	A	98.6	Very high	97.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-42.6	176	0	0	0	0	0	111.9	A642 V645 R646 A685 I686 R687 S692 L693	A642-A689 VanDerWaalsContact O-CB 3.26Å; A642-A689 WeakPolarHBondContact O-CB 3.1Å; V645-A689 HydrophobicContact CB-CB 3.87Å; V645-A689 HydrophobicContact CG1-CB 3.76Å; R646-A689 HydrophobicContact CB-CB 4.26Å; A685-A689 WeakPolarHBondContact O-CB 3.41Å; A685-A689 PolarHBondContact O-N 3.29Å; I686-A689 WeakPolarHBondContact O-CB 3.48Å; I686-A689 PolarHBondContact O-N 3.45Å; R687-A689 VanDerWaalsContact C-N 3.32Å; R687-A689 PolarHBondContact O-N 2.87Å; A689-S692 PolarHBondContact O-OG 3.2Å; A689-L693 WeakPolarHBondContact O-CG 3.35Å; A689-L693 PolarHBondContact O-N 3.29Å
690	C	98.6	Very high	97.7	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-51.9	178.7	-58.8	0	0	0	0	111.8	I686 R687 E688 S692 L693 E694 Y697 P699	I686-C690 PolarHBondContact O-N 2.76Å; I686-C690 PolarHBondContact O-SG 2.86Å; R687-C690 WeakPolarHBondContact O-CB 3.4Å; R687-C690 PolarHBondContact O-N 2.79Å; R687-C690 VanDerWaalsContact O-N 3.14Å; E688-C690 VanDerWaalsContact C-N 3.28Å; E688-C690 PolarHBondContact O-N 3.23Å; C690-S692 VanDerWaalsContact C-N 3.28Å; C690-S692 PolarHBondContact O-N 3.27Å; C690-L693 WeakPolarHBondContact O-CB 3.47Å; C690-L693 PolarHBondContact O-N 3.34Å; C690-E694 PolarHBondContact O-N 3.38Å; C690-Y697 HydrophobicContact CB-CD1 3.61Å; C690-Y697 HydrophobicContact CB-CE1 3.87Å; C690-Y697 HydrophobicContact CB-CG 4.5Å; C690-Y697 VanDerWaalsContact CB-O 3.3Å; C690-Y697 WeakPolarHBondContact CB-O 3.41Å; C690-P699 HydrophobicContact CB-CG 4.44Å
691	I	98.1	Very high	97.8	Very high	84 Å²	84	58.6 Å²	58.6	43%	0.431	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-36.3	-179.5	-63.7	167.9	0	0	0	111.3	R687 E688 L693 E694	R687-I691 WeakPolarHBondContact O-CG1 3.42Å; R687-I691 PolarHBondContact O-N 2.86Å; E688-I691 PolarHBondContact O-N 2.97Å; I691-L693 PolarHBondContact O-N 2.88Å; I691-E694 WeakPolarHBondContact CA-O 3.47Å; I691-E694 CarbonylContact O-C 3.58Å; I691-E694 VanDerWaalsContact O-C 3.3Å; I691-E694 PolarHBondContact O-N 3.09Å
692	S	98.1	Very high	97.9	Very high	58 Å²	58	54 Å²	54	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-22	178	77.8	0	0	0	0	113.6	R646 E688 A689 C690	R646-S692 PolarHBondContact NH1-O 3.21Å; R646-S692 PolarHBondContact NH1-OG 2.83Å; E688-S692 WeakPolarHBondContact O-CB 3.49Å; E688-S692 PolarHBondContact O-N 3.34Å; E688-S692 PolarHBondContact O-OG 3.35Å; A689-S692 PolarHBondContact O-OG 3.2Å; C690-S692 VanDerWaalsContact C-N 3.28Å; C690-S692 PolarHBondContact O-N 3.27Å
693	L	97.6	Very high	97.9	Very high	63 Å²	63	54 Å²	54	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-83.7	-40.9	175.8	-72.8	168	0	0	0	110.8	R646 L649 I650 A689 C690 I691	R646-L693 HydrophobicContact CG-CD1 4.36Å; R646-L693 HydrophobicContact CG-CD2 3.79Å; R646-L693 HydrophobicContact CG-CG 4.04Å; L649-L693 HydrophobicContact CB-CD1 3.69Å; L649-L693 HydrophobicContact CD1-CD1 3.72Å; L649-L693 HydrophobicContact CG-CD1 4.38Å; I650-L693 HydrophobicContact CD1-CD2 3.81Å; I650-L693 HydrophobicContact CG1-CD2 3.61Å; A689-L693 WeakPolarHBondContact O-CG 3.35Å; A689-L693 PolarHBondContact O-N 3.29Å; C690-L693 WeakPolarHBondContact O-CB 3.47Å; C690-L693 PolarHBondContact O-N 3.34Å; I691-L693 PolarHBondContact O-N 2.88Å
694	E	97.7	Very high	97.9	Very high	88 Å²	88	54 Å²	54	41%	0.411	26%	0.264	S	S	.	.			trans	-159.6	130.8	-179.5	177	174.6	156.9	0	0	109.7	K659 C690 I691 E696 Y697	K659-E694 WeakPolarHBondContact CE-OE2 3.42Å; K659-E694 IonicContact NZ-OE1 3.66Å; K659-E694 PolarHBondContact NZ-OE1 2.94Å; K659-E694 IonicContact NZ-OE2 3.94Å; K659-E694 PolarHBondContact NZ-OE2 3.49Å; C690-E694 PolarHBondContact O-N 3.38Å; I691-E694 WeakPolarHBondContact CA-O 3.47Å; I691-E694 CarbonylContact O-C 3.58Å; I691-E694 VanDerWaalsContact O-C 3.3Å; I691-E694 PolarHBondContact O-N 3.09Å; E694-E696 PolarHBondContact O-N 2.97Å; E694-E696 VanDerWaalsContact O-N 3.09Å; E694-Y697 WeakPolarHBondContact O-CB 3.47Å; E694-Y697 PolarHBondContact O-N 2.89Å
695	K	93	Very high	98	Very high	178 Å²	178	50.8 Å²	50.8	77%	0.774	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.3	-166.8	-170.8	-179.4	178	-173	0	114.2
696	E	95.4	Very high	98	Very high	166 Å²	166	50.2 Å²	50.2	78%	0.776	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	5.1	-176.6	-62.8	-177.2	-179.7	0	0	113.3	E694 Q698	E694-E696 PolarHBondContact O-N 2.97Å; E694-E696 VanDerWaalsContact O-N 3.09Å; E696-Q698 PolarHBondContact O-N 3.22Å
697	Y	98.1	Very high	97.8	Very high	27 Å²	27	51.1 Å²	51.1	11%	0.106	25%	0.247	C	C	.	.			trans	-76.3	101.4	-178.7	176.8	-123.6	0	0	0	111	L649 K659 P660 C690 E694 P699	L649-Y697 HydrophobicContact CD1-CE1 4.27Å; K659-Y697 HydrophobicContact CB-CE2 4.3Å; P660-Y697 WeakPolarHBondContact CD-OH 3.45Å; P660-Y697 VanDerWaalsContact O-CE2 3.25Å; P660-Y697 WeakPolarHBondContact O-CE2 3.4Å; P660-Y697 PolarHBondContact O-OH 3.39Å; C690-Y697 HydrophobicContact CB-CD1 3.61Å; C690-Y697 HydrophobicContact CB-CE1 3.87Å; C690-Y697 HydrophobicContact CB-CG 4.5Å; C690-Y697 VanDerWaalsContact CB-O 3.3Å; C690-Y697 WeakPolarHBondContact CB-O 3.41Å; E694-Y697 WeakPolarHBondContact O-CB 3.47Å; E694-Y697 PolarHBondContact O-N 2.89Å; Y697-P699 HydrophobicContact CE1-CG 4.03Å; Y697-P699 HydrophobicContact CE2-CB 4.13Å; Y697-P699 HydrophobicContact CE2-CG 4.02Å
698	Q	97.7	Very high	97.5	Very high	156 Å²	156	50.4 Å²	50.4	73%	0.729	25%	0.246	S	C	*	.			trans	-126.7	71.5	-175.8	-63.9	-178.2	-12.6	0	0	110.9	E696	E696-Q698 PolarHBondContact O-N 3.22Å
699	P	98.3	Very high	97.1	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.078	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.4	176.4	31.2	-36.2	0	0	0	110.8	T661 I663 C690 Y697 I701	T661-P699 CarbonylContact O-C 3.52Å; T661-P699 VanDerWaalsContact O-CA 3.31Å; T661-P699 WeakPolarHBondContact O-CA 3.42Å; T661-P699 WeakPolarHBondContact O-CB 3.4Å; I663-P699 HydrophobicContact CD1-CB 4.42Å; I663-P699 HydrophobicContact CD1-CG 3.62Å; I663-P699 HydrophobicContact CG1-CB 4.22Å; I663-P699 HydrophobicContact CG1-CG 3.96Å; C690-P699 HydrophobicContact CB-CG 4.44Å; Y697-P699 HydrophobicContact CE1-CG 4.03Å; Y697-P699 HydrophobicContact CE2-CB 4.13Å; Y697-P699 HydrophobicContact CE2-CG 4.02Å; P699-I701 PolarHBondContact O-N 3.44Å
700	G	98.4	Very high	96.9	Very high	15 Å²	15	56.1 Å²	56.1	16%	0.155	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.8	175.5	0	0	0	0	0	111.3	T661 R662 I663 N771	T661-G700 PolarHBondContact O-N 3.17Å; R662-G700 CarbonylContact C-O 3.34Å; R662-G700 WeakPolarHBondContact CA-O 3.21Å; I663-G700 PolarHBondContact N-O 3.26Å; G700-N771 PolarHBondContact O-ND2 3.03Å
701	I	98.8	Very high	96.8	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.6	-178.9	-58.1	166.3	0	0	0	109.8	I663 L683 I686 R687 P699 D770	I663-I701 HydrophobicContact CB-CG1 4.39Å; I663-I701 WeakPolarHBondContact O-CA 3.42Å; L683-I701 HydrophobicContact CD1-CB 4.24Å; L683-I701 HydrophobicContact CD1-CD1 3.91Å; L683-I701 HydrophobicContact CD1-CG2 3.81Å; I686-I701 HydrophobicContact CB-CD1 4.21Å; I686-I701 HydrophobicContact CG2-CD1 3.58Å; I686-I701 HydrophobicContact CG2-CG1 4.1Å; R687-I701 HydrophobicContact CG-CD1 3.69Å; P699-I701 PolarHBondContact O-N 3.44Å; I701-D770 PolarHBondContact N-OD2 2.89Å; I701-D770 PolarHBondContact O-N 2.89Å
702	T	98.8	Very high	96.8	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.9	163.7	-49.4	0	0	0	0	108.5	I663 F665 I704 V766 W768 D769 N771 F773	I663-T702 PolarHBondContact O-N 3.2Å; F665-T702 PolarHBondContact N-O 3.49Å; T702-I704 HydrophobicContact CG2-CD1 3.71Å; T702-I704 HydrophobicContact CG2-CG1 3.99Å; T702-V766 HydrophobicContact CG2-CG1 4.18Å; T702-W768 CarbonylContact C-O 3.58Å; T702-W768 WeakPolarHBondContact CA-O 3.29Å; T702-D769 HydrophobicContact CG2-CB 4.09Å; T702-D769 WeakPolarHBondContact CG2-OD1 3.46Å; T702-D769 PolarHBondContact OG1-OD1 3.4Å; T702-N771 PolarHBondContact OG1-ND2 3.2Å; T702-F773 HydrophobicContact CG2-CD2 4.02Å; T702-F773 HydrophobicContact CG2-CE2 4.19Å; T702-F773 WeakPolarHBondContact OG1-CE2 3.34Å
703	Y	98.8	Very high	96.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.9	-176.8	-168.6	-70.5	0	0	0	110	F665 R667 L679 E682 I686 V705 L767 W768	F665-Y703 AromaticContact CD1-CD2 3.5Å; F665-Y703 HydrophobicContact CD1-CD2 3.5Å; F665-Y703 VanDerWaalsContact CD1-CD2 3.5Å; F665-Y703 HydrophobicContact CD1-CE1 4.43Å; F665-Y703 AromaticContact CD1-CE2 3.32Å; F665-Y703 HydrophobicContact CD1-CE2 3.32Å; F665-Y703 HydrophobicContact CD1-CG 4.14Å; F665-Y703 AromaticContact CD1-CZ 3.83Å; F665-Y703 HydrophobicContact CE1-CD2 4.01Å; F665-Y703 AromaticContact CE1-CE2 3.32Å; F665-Y703 HydrophobicContact CE1-CE2 3.32Å; F665-Y703 AromaticContact CE1-CZ 3.66Å; F665-Y703 HydrophobicContact CG-CD2 4.3Å; F665-Y703 HydrophobicContact CG-CE2 4.4Å; F665-Y703 HydrophobicContact CZ-CE2 4.43Å; R667-Y703 HydrophobicContact CB-CE1 4.03Å; R667-Y703 HydrophobicContact CG-CE1 4.46Å; R667-Y703 WeakPolarHBondContact CG-OH 3.41Å; L679-Y703 HydrophobicContact CD1-CD1 3.94Å; L679-Y703 HydrophobicContact CD1-CD2 4.26Å; L679-Y703 HydrophobicContact CD1-CE1 4.41Å; L679-Y703 HydrophobicContact CD1-CG 3.87Å; E682-Y703 HydrophobicContact CB-CE2 3.89Å; E682-Y703 PolarHBondContact OE2-OH 2.8Å; I686-Y703 HydrophobicContact CD1-CD2 4.14Å; I686-Y703 HydrophobicContact CD1-CE2 4.35Å; Y703-V705 HydrophobicContact CE1-CG2 3.98Å; Y703-L767 HydrophobicContact CD1-CB 4.07Å; Y703-L767 HydrophobicContact CD1-CD1 4.28Å; Y703-L767 HydrophobicContact CE1-CD1 4.18Å; Y703-L767 PolarHBondContact O-N 2.98Å; Y703-W768 PolarHBondContact N-O 3.29Å; Y703-W768 PolarHBondContact O-N 3.23Å
704	I	98.5	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.6	-172.7	-49.5	110.2	0	0	0	109.9	I664 F665 Y666 R667 T702 Y764 V766 F778	I664-I704 HydrophobicContact CG2-CD1 3.87Å; F665-I704 PolarHBondContact O-N 2.99Å; Y666-I704 HydrophobicContact CD1-CB 4.32Å; Y666-I704 HydrophobicContact CD1-CG2 4.39Å; Y666-I704 HydrophobicContact CE1-CD1 4.42Å; Y666-I704 HydrophobicContact CE1-CG2 4.47Å; R667-I704 PolarHBondContact N-O 3.43Å; T702-I704 HydrophobicContact CG2-CD1 3.71Å; T702-I704 HydrophobicContact CG2-CG1 3.99Å; I704-Y764 HydrophobicContact CG2-CD1 4.3Å; I704-V766 HydrophobicContact CG1-CG2 4.26Å; I704-F778 HydrophobicContact CB-CZ 4.19Å; I704-F778 HydrophobicContact CD1-CE2 3.73Å; I704-F778 HydrophobicContact CD1-CZ 3.54Å; I704-F778 HydrophobicContact CG1-CE1 4.06Å; I704-F778 HydrophobicContact CG1-CE2 4.02Å; I704-F778 HydrophobicContact CG1-CZ 3.37Å; I704-F778 HydrophobicContact CG2-CE1 4.16Å; I704-F778 HydrophobicContact CG2-CZ 3.95Å
705	V	98.6	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.5	168.5	179.3	0	0	0	0	109.5	R667 V670 F675 Y703 Q707 Y764 H765 L767	R667-V705 CarbonylContact O-C 3.57Å; R667-V705 WeakPolarHBondContact O-CA 3.5Å; V670-V705 HydrophobicContact CB-CG1 3.98Å; V670-V705 HydrophobicContact CB-CG2 4.41Å; F675-V705 HydrophobicContact CD1-CG2 4.35Å; F675-V705 HydrophobicContact CE1-CB 4.17Å; F675-V705 HydrophobicContact CE1-CG1 3.77Å; F675-V705 HydrophobicContact CE1-CG2 4.19Å; F675-V705 HydrophobicContact CZ-CB 4.36Å; F675-V705 HydrophobicContact CZ-CG1 4.17Å; Y703-V705 HydrophobicContact CE1-CG2 3.98Å; V705-Q707 HydrophobicContact CG1-CG 3.9Å; V705-Y764 WeakPolarHBondContact O-CA 3.32Å; V705-H765 PolarHBondContact N-O 2.92Å; V705-H765 PolarHBondContact O-N 2.85Å; V705-L767 HydrophobicContact CG2-CD1 3.44Å; V705-L767 VanDerWaalsContact CG2-CD1 3.44Å; V705-L767 HydrophobicContact CG2-CG 4.08Å
706	V	98.3	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.6	172.5	-171.2	0	0	0	0	108.6	Y666 R667 D668 G669 H763 Y764 I798	Y666-V706 HydrophobicContact CD1-CG2 3.64Å; Y666-V706 HydrophobicContact CG-CG2 4.39Å; R667-V706 PolarHBondContact O-N 3.23Å; D668-V706 WeakPolarHBondContact CA-O 3.46Å; G669-V706 PolarHBondContact N-O 2.86Å; V706-H763 CarbonylContact C-O 3.55Å; V706-H763 WeakPolarHBondContact CA-O 3.14Å; V706-Y764 HydrophobicContact CB-CD1 4.49Å; V706-Y764 HydrophobicContact CB-CE1 4.37Å; V706-Y764 HydrophobicContact CG1-CD1 4.27Å; V706-Y764 HydrophobicContact CG1-CE1 3.78Å; V706-Y764 HydrophobicContact CG2-CD1 3.82Å; V706-Y764 HydrophobicContact CG2-CE1 3.77Å; V706-I798 HydrophobicContact CG1-CB 4.22Å; V706-I798 HydrophobicContact CG1-CG2 3.63Å
707	Q	96.4	Very high	97.3	Very high	20 Å²	20	30.6 Å²	30.6	9%	0.093	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.2	176.2	-61.3	172.4	-46.5	0	0	109.3	V670 V705 H710 H763	V670-Q707 PolarHBondContact O-NE2 3.17Å; V705-Q707 HydrophobicContact CG1-CG 3.9Å; Q707-H710 PolarHBondContact O-CD2 2.83Å; Q707-H710 PolarHBondContact O-NE2 2.74Å; Q707-H763 HydrophobicContact CB-CB 4.25Å; Q707-H763 PolarHBondContact N-O 3.08Å; Q707-H763 PolarHBondContact O-N 2.94Å; Q707-H763 PolarHBondContact OE1-ND1 2.76Å
708	K	91.9	Very high	97.2	Very high	64 Å²	64	32.6 Å²	32.6	28%	0.278	16%	0.157	S	C	.	.			trans	-88.3	-23.2	169.9	-176.5	174.1	176.4	173.2	0	112.8	H710 S797 I798	K708-H710 PolarHBondContact O-N 3.11Å; K708-S797 WeakPolarHBondContact CE-OG 3.46Å; K708-S797 PolarHBondContact NZ-OG 3.04Å; K708-I798 HydrophobicContact CB-CG2 4.32Å; K708-I798 HydrophobicContact CD-CG2 4.42Å
709	R	89.6	Confident	97.1	Very high	219 Å²	219	34.2 Å²	34.2	83%	0.826	16%	0.156	S	C	*	.	S	Bend	trans	-101.8	79.6	-174.3	-62.4	-175.5	-170.3	172.5	7.8	110.8
710	H	93.8	Very high	96.9	Very high	23 Å²	23	40.5 Å²	40.5	11%	0.106	19%	0.189	C	C	.	.	S	Bend	trans	-137.7	-179.2	172.2	58	86.1	0	0	0	110.6	Q707 K708 T712 R713 Y748 R760 P761	Q707-H710 PolarHBondContact O-CD2 2.83Å; Q707-H710 PolarHBondContact O-NE2 2.74Å; K708-H710 PolarHBondContact O-N 3.11Å; H710-T712 VanDerWaalsContact ND1-CB 3.33Å; H710-T712 WeakPolarHBondContact ND1-CB 3.36Å; H710-T712 PolarHBondContact ND1-N 2.97Å; H710-T712 PolarHBondContact ND1-OG1 3.34Å; H710-R713 PolarHBondContact O-NH1 3.22Å; H710-R713 PolarHBondContact O-NH2 3.23Å; H710-Y748 AromaticContact CE1-CE1 3.97Å; H710-R760 PolarHBondContact O-NH1 2.93Å; H710-P761 PolarHBondContact CE1-O 2.77Å; H710-P761 PolarHBondContact NE2-O 2.87Å
711	H	96	Very high	96.9	Very high	50 Å²	50	42 Å²	42	23%	0.231	19%	0.192	C	C	.	.	S	Bend	trans	-107.7	-0.7	-173.8	-68.6	-84.7	0	0	0	114.4	N42 H202 N215 D217 R713	N42-H711 PolarHBondContact ND2-O 2.97Å; H202-H711 HydrophobicContact CB-CB 4.34Å; H202-H711 VanDerWaalsContact CB-ND1 3.32Å; H202-H711 WeakPolarHBondContact CB-ND1 3.44Å; H202-H711 WeakPolarHBondContact CD2-CB 3.43Å; H202-H711 AromaticContact CD2-CD2 3.68Å; H202-H711 AromaticContact CD2-CG 3.28Å; H202-H711 AromaticContact CD2-ND1 3.85Å; H202-H711 AromaticContact CE1-CD2 3.36Å; H202-H711 PolarHBondContact CE1-CD2 3.33Å; H202-H711 AromaticContact CE1-CG 3.81Å; H202-H711 AromaticContact CE1-NE2 3.94Å; H202-H711 AromaticContact CG-CD2 3.42Å; H202-H711 VanDerWaalsContact CG-CD2 3.42Å; H202-H711 AromaticContact CG-CE1 3.62Å; H202-H711 AromaticContact CG-CG 3.2Å; H202-H711 AromaticContact CG-ND1 3.37Å; H202-H711 AromaticContact CG-NE2 3.72Å; H202-H711 AromaticContact ND1-CD2 3.24Å; H202-H711 PolarHBondContact ND1-CD2 3.49Å; H202-H711 AromaticContact ND1-CE1 3.74Å; H202-H711 AromaticContact ND1-CG 3.59Å; H202-H711 AromaticContact ND1-ND1 3.91Å; H202-H711 AromaticContact ND1-NE2 3.4Å; H202-H711 PolarHBondContact ND1-NE2 2.8Å; H202-H711 AromaticContact NE2-CD2 3.62Å; H202-H711 AromaticContact NE2-CG 3.65Å; N215-H711 PolarHBondContact ND2-O 2.79Å; N215-H711 VanDerWaalsContact OD1-CB 3.31Å; N215-H711 WeakPolarHBondContact OD1-CB 3.37Å; D217-H711 HydrophobicContact CB-CB 4.05Å; D217-H711 IonicContact OD2-ND1 2.79Å; H711-R713 PolarHBondContact O-N 3.26Å
712	T	98.1	Very high	96.8	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	21%	0.205	C	C	.	.			trans	-62.3	129.6	166	-39.3	0	0	0	0	111.5	N42 Y43 H710 I739 Y748	N42-T712 WeakPolarHBondContact OD1-CA 3.28Å; Y43-T712 HydrophobicContact CD2-CG2 4.43Å; Y43-T712 HydrophobicContact CE2-CG2 3.65Å; Y43-T712 PolarHBondContact OH-OG1 2.92Å; H710-T712 VanDerWaalsContact ND1-CB 3.33Å; H710-T712 WeakPolarHBondContact ND1-CB 3.36Å; H710-T712 PolarHBondContact ND1-N 2.97Å; H710-T712 PolarHBondContact ND1-OG1 3.34Å; T712-I739 HydrophobicContact CG2-CD1 4.07Å; T712-Y748 HydrophobicContact CG2-CD1 4.25Å; T712-Y748 HydrophobicContact CG2-CE1 3.79Å; T712-Y748 HydrophobicContact CG2-CE2 4.21Å; T712-Y748 PolarHBondContact OG1-OH 3.33Å; T712-Y748 VanDerWaalsContact OG1-OH 3.07Å
713	R	98.4	Very high	96.6	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	21%	0.212	C	C	.	.			trans	-129.2	144.4	172.2	-60.2	-64.6	174.4	-91.7	-14.3	108.2	A41 N42 D217 H710 H711 F715	A41-R713 WeakPolarHBondContact CA-O 3.38Å; N42-R713 PolarHBondContact N-O 3.46Å; N42-R713 PolarHBondContact OD1-N 2.68Å; N42-R713 PolarHBondContact OD1-O 2.91Å; D217-R713 IonicContact OD2-CZ 3.62Å; D217-R713 VanDerWaalsContact OD2-CZ 3.32Å; D217-R713 IonicContact OD2-NE 3.65Å; D217-R713 IonicContact OD2-NH2 3.2Å; D217-R713 PolarHBondContact OD2-NH2 2.87Å; H710-R713 PolarHBondContact O-NH1 3.22Å; H710-R713 PolarHBondContact O-NH2 3.23Å; H711-R713 PolarHBondContact O-N 3.26Å; R713-F715 HydrophobicContact CB-CE1 4.39Å; R713-F715 HydrophobicContact CB-CE2 3.75Å; R713-F715 HydrophobicContact CB-CZ 3.59Å; R713-F715 HydrophobicContact CG-CZ 4.35Å
714	L	98.8	Very high	96.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.4	178.4	-65.7	174.2	0	0	0	108	L39 L40 A41 I729 V735 I739 P761	L39-L714 HydrophobicContact CD1-CD1 4.4Å; L40-L714 WeakPolarHBondContact O-CA 3.28Å; A41-L714 HydrophobicContact CB-CD2 3.98Å; L714-I729 HydrophobicContact CB-CD1 3.84Å; L714-I729 HydrophobicContact CB-CG2 4.49Å; L714-I729 HydrophobicContact CD1-CD1 4.27Å; L714-V735 HydrophobicContact CD1-CB 4.48Å; L714-V735 HydrophobicContact CD1-CG2 3.79Å; L714-V735 HydrophobicContact CD2-CG2 4.32Å; L714-I739 HydrophobicContact CD2-CD1 3.94Å; L714-P761 HydrophobicContact CD1-CB 4Å; L714-P761 HydrophobicContact CD1-CG 3.91Å; L714-P761 HydrophobicContact CG-CG 4.06Å
715	F	98.8	Very high	96	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148	-178.6	-50.9	-81	0	0	0	109.4	L39 L40 N42 A371 R374 Q375 I378 M404 R713 A717 T758	L39-F715 CarbonylContact C-O 3.56Å; L39-F715 VanDerWaalsContact CA-O 3.22Å; L39-F715 WeakPolarHBondContact CA-O 3.38Å; L40-F715 HydrophobicContact CB-CB 4.42Å; L40-F715 PolarHBondContact N-O 2.85Å; L40-F715 WeakPolarHBondContact O-CD2 3.18Å; L40-F715 PolarHBondContact O-N 3.15Å; N42-F715 HydrophobicContact CB-CE2 4.31Å; A371-F715 HydrophobicContact CB-CD1 4.11Å; A371-F715 HydrophobicContact CB-CE1 4.4Å; A371-F715 WeakPolarHBondContact O-CD1 3.28Å; A371-F715 WeakPolarHBondContact O-CE1 3.45Å; R374-F715 HydrophobicContact CB-CE1 4.42Å; Q375-F715 HydrophobicContact CB-CD1 3.73Å; Q375-F715 HydrophobicContact CB-CD2 4.19Å; Q375-F715 HydrophobicContact CB-CE1 3.81Å; Q375-F715 HydrophobicContact CB-CE2 4.27Å; Q375-F715 HydrophobicContact CB-CG 3.92Å; Q375-F715 HydrophobicContact CB-CZ 4.08Å; Q375-F715 HydrophobicContact CG-CB 4.35Å; Q375-F715 HydrophobicContact CG-CD1 4.29Å; Q375-F715 HydrophobicContact CG-CD2 4Å; Q375-F715 HydrophobicContact CG-CE2 4.36Å; Q375-F715 HydrophobicContact CG-CG 3.96Å; I378-F715 HydrophobicContact CD1-CE2 4.45Å; I378-F715 HydrophobicContact CD1-CZ 4.09Å; M404-F715 HydrophobicContact CE-CD2 4.33Å; M404-F715 HydrophobicContact CE-CE2 3.87Å; M404-F715 HydrophobicContact SD-CD2 3.83Å; M404-F715 HydrophobicContact SD-CE2 3.92Å; R713-F715 HydrophobicContact CB-CE1 4.39Å; R713-F715 HydrophobicContact CB-CE2 3.75Å; R713-F715 HydrophobicContact CB-CZ 3.59Å; R713-F715 HydrophobicContact CG-CZ 4.35Å; F715-A717 PolarHBondContact O-N 3.47Å; F715-T758 HydrophobicContact CD1-CG2 4.45Å; F715-T758 HydrophobicContact CE1-CG2 3.74Å; F715-T758 HydrophobicContact CZ-CG2 4.43Å
716	C	98.6	Very high	95.8	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.014	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.9	172	-51.9	0	0	0	0	109.2	D718 E721 R722	C716-D718 WeakPolarHBondContact CB-O 3.46Å; C716-E721 HydrophobicContact CB-CB 4.17Å; C716-E721 PolarHBondContact SG-O 3.2Å; C716-E721 VanDerWaalsContact SG-O 3.35Å; C716-R722 HydrophobicContact CB-CG 3.97Å
717	A	98	Very high	95.8	Very high	43 Å²	43	62.7 Å²	62.7	36%	0.355	30%	0.296	S	S	.	.	S	Bend	trans	-67.3	-43	172.1	0	0	0	0	0	110.3	K38 L40 F715	K38-A717 HydrophobicContact CB-CB 3.84Å; K38-A717 WeakPolarHBondContact O-CB 3.5Å; K38-A717 PolarHBondContact O-N 2.99Å; L40-A717 HydrophobicContact CG-CB 4.17Å; F715-A717 PolarHBondContact O-N 3.47Å
718	D	96.5	Very high	95.9	Very high	70 Å²	70	61.9 Å²	61.9	37%	0.374	29%	0.292	S	S	.	.	S	Bend	trans	-83.1	134.3	170.6	-171.6	-7.4	0	0	0	111	C716 N720 E721	C716-D718 WeakPolarHBondContact CB-O 3.46Å; D718-N720 VanDerWaalsContact C-N 3.27Å; D718-N720 PolarHBondContact O-N 3.44Å; D718-N720 PolarHBondContact OD1-N 3.03Å; D718-E721 HydrophobicContact CB-CG 4.34Å; D718-E721 PolarHBondContact O-N 3.18Å
719	R	94.8	Very high	96.2	Very high	190 Å²	190	59 Å²	59	72%	0.717	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.6	-29.9	175.5	-61.5	-173.5	176.6	-173.5	-0.4	112.3	E721 R722	R719-E721 VanDerWaalsContact C-N 3.27Å; R719-E721 PolarHBondContact O-N 2.82Å; R719-R722 VanDerWaalsContact O-CB 3.3Å; R719-R722 WeakPolarHBondContact O-CB 2.92Å; R719-R722 WeakPolarHBondContact O-CD 3.35Å; R719-R722 VanDerWaalsContact O-CG 3.3Å; R719-R722 WeakPolarHBondContact O-CG 3.35Å; R719-R722 PolarHBondContact O-N 3.37Å
720	N	95.9	Very high	96.6	Very high	144 Å²	144	49.4 Å²	49.4	77%	0.77	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-72.4	-20.7	-177.5	-64.3	-34.2	0	0	0	113.1	D718 R722	D718-N720 VanDerWaalsContact C-N 3.27Å; D718-N720 PolarHBondContact O-N 3.44Å; D718-N720 PolarHBondContact OD1-N 3.03Å; N720-R722 VanDerWaalsContact C-N 3.29Å
721	E	96.8	Very high	96.9	Very high	46 Å²	46	48.7 Å²	48.7	22%	0.215	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-86.1	0	176.7	-63.4	-150.6	-118.8	0	0	113.3	I37 C716 D718 R719 V723	I37-E721 HydrophobicContact CD1-CB 4.24Å; I37-E721 VanDerWaalsContact CD1-OE2 3.3Å; I37-E721 WeakPolarHBondContact CD1-OE2 3.08Å; I37-E721 WeakPolarHBondContact CG1-OE2 3.34Å; C716-E721 HydrophobicContact CB-CB 4.17Å; C716-E721 PolarHBondContact SG-O 3.2Å; C716-E721 VanDerWaalsContact SG-O 3.35Å; D718-E721 HydrophobicContact CB-CG 4.34Å; D718-E721 PolarHBondContact O-N 3.18Å; R719-E721 VanDerWaalsContact C-N 3.27Å; R719-E721 PolarHBondContact O-N 2.82Å; E721-V723 PolarHBondContact O-N 2.91Å
722	R	97.3	Very high	97	Very high	76 Å²	76	46.3 Å²	46.3	29%	0.287	23%	0.233	S	C	.	.			trans	-73.1	126.2	179.2	-65.7	175	-179.7	-178.9	-4.1	110.5	C716 R719 N720	C716-R722 HydrophobicContact CB-CG 3.97Å; R719-R722 VanDerWaalsContact O-CB 3.3Å; R719-R722 WeakPolarHBondContact O-CB 2.92Å; R719-R722 WeakPolarHBondContact O-CD 3.35Å; R719-R722 VanDerWaalsContact O-CG 3.3Å; R719-R722 WeakPolarHBondContact O-CG 3.35Å; R719-R722 PolarHBondContact O-N 3.37Å; N720-R722 VanDerWaalsContact C-N 3.29Å
723	V	95.9	Very high	97	Very high	26 Å²	26	46.2 Å²	46.2	16%	0.158	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-101.2	125.1	-176	-177.9	0	0	0	0	111.9	Q431 E721 G727 N728 P730	Q431-V723 HydrophobicContact CG-CG1 4.42Å; E721-V723 PolarHBondContact O-N 2.91Å; V723-G727 PolarHBondContact O-N 3.09Å; V723-N728 PolarHBondContact N-O 2.96Å; V723-N728 PolarHBondContact O-N 2.8Å; V723-P730 HydrophobicContact CG2-CB 3.95Å
724	G	92.8	Very high	97	Very high	61 Å²	61	46.2 Å²	46.2	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	-176.6	172.6	0	0	0	0	0	114.5	S726 G727	G724-S726 PolarHBondContact O-N 3.06Å; G724-G727 PolarHBondContact O-N 2.87Å
725	R	91.6	Very high	97	Very high	259 Å²	259	46.1 Å²	46.1	98%	0.977	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.8	-177.3	-176.1	178.6	176.9	-176.6	1.8	113.7	G727	R725-G727 VanDerWaalsContact C-N 3.3Å
726	S	94.3	Very high	97	Very high	8 Å²	8	46.1 Å²	46.1	6%	0.056	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-12.8	180	66	0	0	0	0	113.1	S370 A371 P372 G724 N728 G754	S370-S726 WeakPolarHBondContact CB-O 3.48Å; A371-S726 PolarHBondContact N-O 2.95Å; P372-S726 WeakPolarHBondContact CD-O 3.39Å; G724-S726 PolarHBondContact O-N 3.06Å; S726-N728 WeakPolarHBondContact CB-ND2 3.48Å; S726-N728 PolarHBondContact O-N 3.04Å; S726-N728 PolarHBondContact OG-ND2 3.21Å; S726-G754 PolarHBondContact OG-O 3.06Å
727	G	97.6	Very high	96.9	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	32.5	176.6	0	0	0	0	0	115	V723 G724 R725	V723-G727 PolarHBondContact O-N 3.09Å; G724-G727 PolarHBondContact O-N 2.87Å; R725-G727 VanDerWaalsContact C-N 3.3Å
728	N	98.4	Very high	96.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.011	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-82.4	167.4	-175.8	-82.7	-85.2	0	0	0	113.4	V723 S726 G757 S759	V723-N728 PolarHBondContact N-O 2.96Å; V723-N728 PolarHBondContact O-N 2.8Å; S726-N728 WeakPolarHBondContact CB-ND2 3.48Å; S726-N728 PolarHBondContact O-N 3.04Å; S726-N728 PolarHBondContact OG-ND2 3.21Å; N728-G757 PolarHBondContact ND2-O 2.86Å; N728-S759 WeakPolarHBondContact OD1-CB 3.4Å; N728-S759 PolarHBondContact OD1-N 3.16Å; N728-S759 PolarHBondContact OD1-OG 2.87Å
729	I	98.6	Very high	96.8	Very high	3 Å²	3	45 Å²	45	2%	0.015	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-59.1	149.2	164.4	57.6	170.5	0	0	0	111.7	L39 L714 T733 C750	L39-I729 HydrophobicContact CD2-CG2 3.63Å; L714-I729 HydrophobicContact CB-CD1 3.84Å; L714-I729 HydrophobicContact CB-CG2 4.49Å; L714-I729 HydrophobicContact CD1-CD1 4.27Å; I729-T733 HydrophobicContact CB-CG2 4.37Å; I729-T733 HydrophobicContact CD1-CG2 3.87Å; I729-C750 HydrophobicContact CD1-CB 3.42Å; I729-C750 VanDerWaalsContact CD1-CB 3.42Å; I729-C750 HydrophobicContact CG1-CB 4.19Å
730	P	98.4	Very high	96.9	Very high	19 Å²	19	36 Å²	36	12%	0.123	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67.3	152.4	178.1	26	-32.6	0	0	0	112.3	I37 V411 V723 G732 T733	I37-P730 HydrophobicContact CD1-CG 3.78Å; V411-P730 HydrophobicContact CG1-CB 4.48Å; V411-P730 HydrophobicContact CG1-CG 4.33Å; V411-P730 HydrophobicContact CG2-CG 3.74Å; V723-P730 HydrophobicContact CG2-CB 3.95Å; P730-G732 PolarHBondContact O-N 3.13Å; P730-T733 WeakPolarHBondContact CD-OG1 3.48Å; P730-T733 WeakPolarHBondContact CG-OG1 3.24Å; P730-T733 WeakPolarHBondContact O-CB 3.43Å; P730-T733 PolarHBondContact O-N 3.02Å; P730-T733 PolarHBondContact O-OG1 2.94Å
731	A	98.5	Very high	96.9	Very high	8 Å²	8	30.4 Å²	30.4	7%	0.066	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	136.3	171.8	0	0	0	0	0	110.3	C750 Y783	A731-C750 CarbonylContact C-O 3.51Å; A731-C750 WeakPolarHBondContact CA-O 3.31Å; A731-Y783 PolarHBondContact O-OH 2.82Å
732	G	98.5	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	-6.1	-175.8	0	0	0	0	0	114	L412 P730 T734 C750 Y783	L412-G732 PolarHBondContact N-O 3.27Å; P730-G732 PolarHBondContact O-N 3.13Å; G732-T734 PolarHBondContact O-N 3.28Å; G732-T734 PolarHBondContact O-OG1 3.23Å; G732-C750 PolarHBondContact N-O 3.28Å; G732-Y783 PolarHBondContact N-OH 2.85Å
733	T	98.9	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	121.9	173.3	-59.5	0	0	0	0	110.4	I37 L39 R410 I729 P730 C750	I37-T733 HydrophobicContact CG2-CG2 4.22Å; L39-T733 HydrophobicContact CD1-CG2 3.59Å; L39-T733 HydrophobicContact CD2-CG2 4.26Å; R410-T733 CarbonylContact O-C 3.52Å; R410-T733 WeakPolarHBondContact O-CA 3.5Å; I729-T733 HydrophobicContact CB-CG2 4.37Å; I729-T733 HydrophobicContact CD1-CG2 3.87Å; P730-T733 WeakPolarHBondContact CD-OG1 3.48Å; P730-T733 WeakPolarHBondContact CG-OG1 3.24Å; P730-T733 WeakPolarHBondContact O-CB 3.43Å; P730-T733 PolarHBondContact O-N 3.02Å; P730-T733 PolarHBondContact O-OG1 2.94Å; T733-C750 PolarHBondContact O-N 3.1Å
734	T	98.9	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.2	-173.9	-55.9	0	0	0	0	109.7	G409 R410 L412 G732 F747 Y748 L749 Q779	G409-T734 CarbonylContact C-O 3.56Å; G409-T734 WeakPolarHBondContact CA-O 3.47Å; R410-T734 PolarHBondContact N-O 2.84Å; R410-T734 PolarHBondContact O-N 3.26Å; L412-T734 VanDerWaalsContact CD1-OG1 3.28Å; L412-T734 WeakPolarHBondContact CD1-OG1 3.4Å; L412-T734 WeakPolarHBondContact CG-OG1 3.43Å; G732-T734 PolarHBondContact O-N 3.28Å; G732-T734 PolarHBondContact O-OG1 3.23Å; T734-F747 HydrophobicContact CG2-CD2 4.27Å; T734-Y748 CarbonylContact C-O 3.54Å; T734-Y748 VanDerWaalsContact CA-O 3.23Å; T734-Y748 WeakPolarHBondContact CA-O 3.5Å; T734-L749 VanDerWaalsContact OG1-CD1 3.29Å; T734-L749 WeakPolarHBondContact OG1-CD1 3.32Å; T734-Q779 HydrophobicContact CG2-CG 4.16Å
735	V	98.8	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.9	178.3	173.9	0	0	0	0	108.5	L39 V407 L714 I739 F747 Y748	L39-V735 HydrophobicContact CD1-CG2 3.59Å; V407-V735 HydrophobicContact CG1-CG1 3.56Å; V407-V735 HydrophobicContact CG1-CG2 4.25Å; L714-V735 HydrophobicContact CD1-CB 4.48Å; L714-V735 HydrophobicContact CD1-CG2 3.79Å; L714-V735 HydrophobicContact CD2-CG2 4.32Å; V735-I739 HydrophobicContact CG1-CD1 4.03Å; V735-I739 HydrophobicContact CG1-CG1 3.82Å; V735-F747 CarbonylContact O-C 3.6Å; V735-F747 WeakPolarHBondContact O-CA 3.28Å; V735-Y748 PolarHBondContact N-O 3.13Å; V735-Y748 PolarHBondContact O-N 3.36Å
736	D	98.2	Very high	96.9	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	7%	0.071	C	C	.	.			trans	-126.1	11.1	177.3	60	-26.4	0	0	0	113.5	R27 G31 M209 R410 T740 F747 Q779	R27-D736 PolarHBondContact NH1-O 3.13Å; G31-D736 PolarHBondContact N-OD2 3.12Å; M209-D736 WeakPolarHBondContact CE-O 3.42Å; R410-D736 IonicContact CZ-OD1 3.87Å; R410-D736 IonicContact NE-OD1 2.69Å; R410-D736 IonicContact NH2-OD1 2.63Å; R410-D736 PolarHBondContact NH2-OD1 2.88Å; R410-D736 IonicContact NH2-OD2 2.87Å; R410-D736 PolarHBondContact NH2-OD2 3.26Å; D736-T740 PolarHBondContact O-OG1 2.57Å; D736-F747 HydrophobicContact CB-CB 3.74Å; D736-Q779 PolarHBondContact OD2-NE2 3.47Å
737	T	96.3	Very high	97.2	Very high	30 Å²	30	12.4 Å²	12.4	18%	0.184	7%	0.068	C	C	.	.	S	Bend	trans	-124.4	169	179.5	62.4	0	0	0	0	111.6	M30 I739 T740	M30-T737 HydrophobicContact CE-CG2 4.3Å; M30-T737 HydrophobicContact CG-CG2 4.2Å; M30-T737 HydrophobicContact SD-CG2 3.85Å; T737-I739 PolarHBondContact O-N 3.03Å; T737-T740 PolarHBondContact N-OG1 2.82Å
738	D	95.4	Very high	97.2	Very high	57 Å²	57	12 Å²	12	31%	0.305	6%	0.064	S	C	.	.	S	Bend	trans	65	-64.1	168.6	-52.5	-68.8	0	0	0	115.2	A208 M209 V407	A208-D738 VanDerWaalsContact CB-O 3.28Å; A208-D738 WeakPolarHBondContact CB-O 3.31Å; M209-D738 PolarHBondContact N-O 2.86Å; V407-D738 HydrophobicContact CG1-CB 4.2Å; V407-D738 HydrophobicContact CG2-CB 4.02Å
739	I	97.1	Very high	97.2	Very high	3 Å²	3	12 Å²	12	2%	0.015	6%	0.064	C	C	.	.	S	Bend	trans	-98.8	-2.9	-174.4	60.9	163.5	0	0	0	113.8	A41 Y43 A405 V407 T712 L714 V735 T737 Y748	A41-I739 HydrophobicContact CB-CD1 3.92Å; A41-I739 HydrophobicContact CB-CG2 4Å; Y43-I739 HydrophobicContact CD1-CB 3.78Å; Y43-I739 HydrophobicContact CD1-CG2 3.76Å; Y43-I739 HydrophobicContact CE1-CB 3.92Å; Y43-I739 HydrophobicContact CE1-CG2 4.41Å; Y43-I739 HydrophobicContact CG-CB 4.25Å; Y43-I739 HydrophobicContact CG-CG2 3.89Å; A405-I739 HydrophobicContact CB-CG2 4.49Å; V407-I739 HydrophobicContact CG2-CG1 4.48Å; V407-I739 HydrophobicContact CG2-CG2 3.78Å; T712-I739 HydrophobicContact CG2-CD1 4.07Å; L714-I739 HydrophobicContact CD2-CD1 3.94Å; V735-I739 HydrophobicContact CG1-CD1 4.03Å; V735-I739 HydrophobicContact CG1-CG1 3.82Å; T737-I739 PolarHBondContact O-N 3.03Å; I739-Y748 HydrophobicContact CD1-CD2 4.19Å; I739-Y748 HydrophobicContact CD1-CE2 4.13Å; I739-Y748 HydrophobicContact CG1-CE2 4.36Å
740	T	96.8	Very high	97.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.063	C	C	.	.	S	Bend	trans	-86.4	169.8	177.6	46.2	0	0	0	0	111.9	A208 M209 D736 T737 D746 Y748	A208-T740 CarbonylContact C-O 3.53Å; A208-T740 VanDerWaalsContact CA-O 3.26Å; A208-T740 WeakPolarHBondContact CA-O 3.18Å; M209-T740 WeakPolarHBondContact CE-OG1 3.43Å; M209-T740 PolarHBondContact N-O 3.04Å; D736-T740 PolarHBondContact O-OG1 2.57Å; T737-T740 PolarHBondContact N-OG1 2.82Å; T740-D746 WeakPolarHBondContact CB-OD1 3.49Å; T740-Y748 HydrophobicContact CG2-CD2 3.96Å; T740-Y748 HydrophobicContact CG2-CE2 4.05Å
741	H	95.3	Very high	97.3	Very high	27 Å²	27	10.9 Å²	10.9	13%	0.125	6%	0.057	C	C	.	.			trans	-57.2	140.3	-177.7	-170.8	-75.9	0	0	0	111.4	R27 Y743 E744 D746	R27-H741 PolarHBondContact NH2-O 2.94Å; H741-Y743 VanDerWaalsContact C-N 3.32Å; H741-Y743 AromaticContact CE1-CD2 3.99Å; H741-Y743 AromaticContact CE1-CE1 3.76Å; H741-Y743 AromaticContact CE1-CE2 3.68Å; H741-Y743 AromaticContact CE1-CZ 3.55Å; H741-Y743 PolarHBondContact ND1-N 2.87Å; H741-Y743 PolarHBondContact O-N 2.74Å; H741-E744 HydrophobicContact CB-CB 4.27Å; H741-E744 IonicContact CD2-OE2 3.6Å; H741-E744 PolarHBondContact CD2-OE2 2.73Å; H741-E744 VanDerWaalsContact CE1-CG 3.43Å; H741-E744 WeakPolarHBondContact CE1-CG 3.45Å; H741-E744 IonicContact CE1-OE2 3.8Å; H741-E744 IonicContact CG-OE2 3.98Å; H741-E744 WeakPolarHBondContact ND1-CB 3.45Å; H741-E744 PolarHBondContact ND1-N 3.33Å; H741-E744 IonicContact ND1-OE2 3.47Å; H741-E744 IonicContact NE2-OE2 2.91Å; H741-E744 PolarHBondContact NE2-OE2 2.85Å; H741-D746 VanDerWaalsContact CB-OD1 3.28Å; H741-D746 WeakPolarHBondContact CB-OD1 3.47Å; H741-D746 WeakPolarHBondContact CB-OD2 3.23Å; H741-D746 VanDerWaalsContact N-CG 3.32Å; H741-D746 PolarHBondContact N-OD1 3.35Å; H741-D746 PolarHBondContact N-OD2 3.17Å
742	P	92.5	Very high	97.2	Very high	20 Å²	20	12.1 Å²	12.1	13%	0.13	6%	0.061	C	C	.	.	S	Bend	trans	-56.5	-37.3	-172.9	17.9	-33.7	0	0	0	114.9	L146 V153 P207	L146-P742 HydrophobicContact CD2-CB 4.35Å; L146-P742 HydrophobicContact CD2-CG 4.09Å; V153-P742 HydrophobicContact CG2-CG 3.91Å; P207-P742 HydrophobicContact CB-CG 4.45Å
743	Y	92.3	Very high	97.2	Very high	33 Å²	33	13 Å²	13	13%	0.129	7%	0.069	C	C	.	.	S	Bend	trans	-138.6	-27	-178.4	58.5	-101.9	0	0	0	116.2	R26 R27 L151 Q152 V153 H741	R26-Y743 CarbonylContact C-O 3.57Å; R26-Y743 WeakPolarHBondContact CA-O 3.35Å; R27-Y743 PolarHBondContact N-O 2.75Å; L151-Y743 VanDerWaalsContact O-CE1 3.22Å; L151-Y743 WeakPolarHBondContact O-CE1 3.33Å; Q152-Y743 WeakPolarHBondContact CA-OH 3.37Å; V153-Y743 HydrophobicContact CG2-CE1 3.74Å; V153-Y743 PolarHBondContact N-OH 3.41Å; V153-Y743 VanDerWaalsContact N-OH 3.15Å; H741-Y743 VanDerWaalsContact C-N 3.32Å; H741-Y743 AromaticContact CE1-CD2 3.99Å; H741-Y743 AromaticContact CE1-CE1 3.76Å; H741-Y743 AromaticContact CE1-CE2 3.68Å; H741-Y743 AromaticContact CE1-CZ 3.55Å; H741-Y743 PolarHBondContact ND1-N 2.87Å; H741-Y743 PolarHBondContact O-N 2.74Å
744	E	95.3	Very high	96.9	Very high	40 Å²	40	13.7 Å²	13.7	19%	0.187	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-64.7	159.9	172.9	-61.1	174	172.1	0	0	112.5	A24 R27 H741 D746 H765	A24-E744 HydrophobicContact CB-CG 4.2Å; R27-E744 PolarHBondContact NH2-O 3.18Å; H741-E744 HydrophobicContact CB-CB 4.27Å; H741-E744 IonicContact CD2-OE2 3.6Å; H741-E744 PolarHBondContact CD2-OE2 2.73Å; H741-E744 VanDerWaalsContact CE1-CG 3.43Å; H741-E744 WeakPolarHBondContact CE1-CG 3.45Å; H741-E744 IonicContact CE1-OE2 3.8Å; H741-E744 IonicContact CG-OE2 3.98Å; H741-E744 WeakPolarHBondContact ND1-CB 3.45Å; H741-E744 PolarHBondContact ND1-N 3.33Å; H741-E744 IonicContact ND1-OE2 3.47Å; H741-E744 IonicContact NE2-OE2 2.91Å; H741-E744 PolarHBondContact NE2-OE2 2.85Å; E744-D746 PolarHBondContact O-N 3.5Å; E744-H765 IonicContact OE2-CE1 3.97Å; E744-H765 PolarHBondContact OE2-CE1 3.21Å; E744-H765 IonicContact OE2-NE2 2.62Å; E744-H765 PolarHBondContact OE2-NE2 2.73Å; E744-H765 VanDerWaalsContact OE2-NE2 3.07Å
745	F	97.7	Very high	96.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	11%	0.106	C	C	.	.			trans	-88.4	92.9	-177.1	-173	12.1	0	0	0	112.1	P25 R27 P28 F747 V766 A775 F778	P25-F745 PolarHBondContact O-N 2.98Å; R27-F745 HydrophobicContact CG-CD1 4.38Å; P28-F745 HydrophobicContact CG-CD2 4.03Å; P28-F745 HydrophobicContact CG-CE1 4.42Å; P28-F745 HydrophobicContact CG-CE2 3.77Å; P28-F745 HydrophobicContact CG-CG 4.48Å; P28-F745 HydrophobicContact CG-CZ 3.99Å; F745-F747 HydrophobicContact CE1-CD1 4.32Å; F745-V766 HydrophobicContact CB-CB 4.09Å; F745-V766 HydrophobicContact CB-CG2 4.46Å; F745-V766 HydrophobicContact CD1-CG2 4.46Å; F745-V766 HydrophobicContact CD2-CB 3.82Å; F745-V766 HydrophobicContact CD2-CG1 4.13Å; F745-V766 HydrophobicContact CD2-CG2 3.66Å; F745-V766 HydrophobicContact CE2-CG2 3.94Å; F745-V766 HydrophobicContact CG-CB 4.07Å; F745-V766 HydrophobicContact CG-CG2 3.94Å; F745-V766 HydrophobicContact CZ-CG2 4.44Å; F745-V766 PolarHBondContact O-N 3.42Å; F745-A775 HydrophobicContact CE1-CB 4.31Å; F745-F778 HydrophobicContact CE2-CD1 4.49Å; F745-F778 HydrophobicContact CZ-CB 4.2Å; F745-F778 HydrophobicContact CZ-CD1 4.1Å; F745-F778 HydrophobicContact CZ-CG 4.5Å
746	D	98.1	Very high	96.1	Very high	3 Å²	3	26 Å²	26	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.9	176.1	72.4	-34.2	0	0	0	113.7	R27 T740 H741 E744 H763 Y764 H765	R27-D746 IonicContact CZ-OD1 2.65Å; R27-D746 PolarHBondContact NH1-O 2.89Å; R27-D746 IonicContact NH1-OD1 3.62Å; R27-D746 IonicContact NH2-OD1 2.75Å; R27-D746 PolarHBondContact NH2-OD1 2.92Å; T740-D746 WeakPolarHBondContact CB-OD1 3.49Å; H741-D746 VanDerWaalsContact CB-OD1 3.28Å; H741-D746 WeakPolarHBondContact CB-OD1 3.47Å; H741-D746 WeakPolarHBondContact CB-OD2 3.23Å; H741-D746 VanDerWaalsContact N-CG 3.32Å; H741-D746 PolarHBondContact N-OD1 3.35Å; H741-D746 PolarHBondContact N-OD2 3.17Å; E744-D746 PolarHBondContact O-N 3.5Å; D746-H763 IonicContact OD2-CE1 3.73Å; D746-H763 IonicContact OD2-NE2 2.7Å; D746-H763 PolarHBondContact OD2-NE2 2.84Å; D746-H763 VanDerWaalsContact OD2-NE2 3.15Å; D746-Y764 CarbonylContact C-O 3.54Å; D746-Y764 WeakPolarHBondContact CA-O 3.11Å; D746-Y764 WeakPolarHBondContact CB-O 3.37Å; D746-H765 HydrophobicContact CB-CB 4.24Å
747	F	98.8	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.5	175.4	61.4	-82.3	0	0	0	111.9	T734 V735 D736 F745 L749 Y764 F778 Q779	T734-F747 HydrophobicContact CG2-CD2 4.27Å; V735-F747 CarbonylContact O-C 3.6Å; V735-F747 WeakPolarHBondContact O-CA 3.28Å; D736-F747 HydrophobicContact CB-CB 3.74Å; F745-F747 HydrophobicContact CE1-CD1 4.32Å; F747-L749 HydrophobicContact CD2-CB 4.18Å; F747-L749 HydrophobicContact CE2-CB 4.12Å; F747-Y764 HydrophobicContact CD2-CD2 4.03Å; F747-Y764 HydrophobicContact CD2-CG 4.49Å; F747-Y764 HydrophobicContact CE1-CG 4.4Å; F747-Y764 AromaticContact CE2-CD2 3.56Å; F747-Y764 HydrophobicContact CE2-CD2 3.56Å; F747-Y764 HydrophobicContact CE2-CE2 4.33Å; F747-Y764 AromaticContact CE2-CG 3.81Å; F747-Y764 HydrophobicContact CE2-CG 3.81Å; F747-Y764 HydrophobicContact CZ-CD1 4.49Å; F747-Y764 HydrophobicContact CZ-CD2 4.02Å; F747-Y764 AromaticContact CZ-CG 3.76Å; F747-Y764 HydrophobicContact CZ-CG 3.76Å; F747-Y764 PolarHBondContact N-O 3.28Å; F747-Y764 PolarHBondContact O-N 2.89Å; F747-F778 AromaticContact CE1-CD1 3.45Å; F747-F778 HydrophobicContact CE1-CD1 3.45Å; F747-F778 VanDerWaalsContact CE1-CD1 3.45Å; F747-F778 AromaticContact CE1-CE1 3.51Å; F747-F778 HydrophobicContact CE1-CE1 3.51Å; F747-F778 AromaticContact CZ-CD1 3.75Å; F747-F778 HydrophobicContact CZ-CD1 3.75Å; F747-F778 AromaticContact CZ-CE1 3.66Å; F747-F778 HydrophobicContact CZ-CE1 3.66Å; F747-Q779 HydrophobicContact CD1-CG 4.17Å; F747-Q779 HydrophobicContact CD2-CG 3.82Å; F747-Q779 HydrophobicContact CE1-CG 4.21Å; F747-Q779 HydrophobicContact CE2-CB 4.46Å; F747-Q779 HydrophobicContact CE2-CG 3.83Å; F747-Q779 HydrophobicContact CG-CG 3.99Å; F747-Q779 HydrophobicContact CZ-CG 4.03Å
748	Y	98.8	Very high	95.9	Very high	2 Å²	2	26 Å²	26	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.5	168.9	-64.7	-84.4	0	0	0	109.8	Y43 H710 T712 T734 V735 I739 T740 P761 S762 H763	Y43-Y748 PolarHBondContact OH-OH 2.84Å; H710-Y748 AromaticContact CE1-CE1 3.97Å; T712-Y748 HydrophobicContact CG2-CD1 4.25Å; T712-Y748 HydrophobicContact CG2-CE1 3.79Å; T712-Y748 HydrophobicContact CG2-CE2 4.21Å; T712-Y748 PolarHBondContact OG1-OH 3.33Å; T712-Y748 VanDerWaalsContact OG1-OH 3.07Å; T734-Y748 CarbonylContact C-O 3.54Å; T734-Y748 VanDerWaalsContact CA-O 3.23Å; T734-Y748 WeakPolarHBondContact CA-O 3.5Å; V735-Y748 PolarHBondContact N-O 3.13Å; V735-Y748 PolarHBondContact O-N 3.36Å; I739-Y748 HydrophobicContact CD1-CD2 4.19Å; I739-Y748 HydrophobicContact CD1-CE2 4.13Å; I739-Y748 HydrophobicContact CG1-CE2 4.36Å; T740-Y748 HydrophobicContact CG2-CD2 3.96Å; T740-Y748 HydrophobicContact CG2-CE2 4.05Å; Y748-P761 HydrophobicContact CD1-CG 4.49Å; Y748-S762 CarbonylContact C-O 3.56Å; Y748-S762 WeakPolarHBondContact CA-O 3.37Å; Y748-H763 HydrophobicContact CD1-CB 3.75Å; Y748-H763 AromaticContact CD1-CD2 3.85Å; Y748-H763 HydrophobicContact CE1-CB 3.54Å; Y748-H763 AromaticContact CE1-CD2 3.51Å; Y748-H763 AromaticContact CE1-CG 3.64Å; Y748-H763 AromaticContact CE2-CD2 3.89Å; Y748-H763 AromaticContact CZ-CD2 3.51Å; Y748-H763 AromaticContact CZ-CG 3.98Å
749	L	98.9	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	113.7	171.5	163.4	67.2	0	0	0	109.8	L412 T734 F747 S751 S762 Y764 T782 Y783	L412-L749 HydrophobicContact CD1-CD1 4.23Å; T734-L749 VanDerWaalsContact OG1-CD1 3.29Å; T734-L749 WeakPolarHBondContact OG1-CD1 3.32Å; F747-L749 HydrophobicContact CD2-CB 4.18Å; F747-L749 HydrophobicContact CE2-CB 4.12Å; L749-S751 PolarHBondContact O-N 3.3Å; L749-S762 PolarHBondContact N-O 3.45Å; L749-S762 PolarHBondContact O-N 3.02Å; L749-S762 VanDerWaalsContact O-N 3.12Å; L749-Y764 HydrophobicContact CB-CD2 4.21Å; L749-Y764 HydrophobicContact CB-CE2 3.77Å; L749-Y764 HydrophobicContact CD2-CE2 4.32Å; L749-Y764 HydrophobicContact CG-CE2 4.42Å; L749-T782 HydrophobicContact CD2-CG2 3.87Å; L749-Y783 HydrophobicContact CD1-CD2 4.04Å; L749-Y783 HydrophobicContact CD1-CG 4.31Å; L749-Y783 HydrophobicContact CD2-CD2 4.28Å; L749-Y783 HydrophobicContact CD2-CG 4.45Å
750	C	98.8	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	78.5	168.7	-164.7	0	0	0	0	110	I729 A731 G732 T733 H752 P761	I729-C750 HydrophobicContact CD1-CB 3.42Å; I729-C750 VanDerWaalsContact CD1-CB 3.42Å; I729-C750 HydrophobicContact CG1-CB 4.19Å; A731-C750 CarbonylContact C-O 3.51Å; A731-C750 WeakPolarHBondContact CA-O 3.31Å; G732-C750 PolarHBondContact N-O 3.28Å; T733-C750 PolarHBondContact O-N 3.1Å; C750-H752 PolarHBondContact O-N 3.2Å; C750-P761 HydrophobicContact CB-CB 3.91Å
751	S	98.6	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-71.7	-8.4	-174.6	55.2	0	0	0	0	115.2	L749 Y783 C786 S795 V796 S797	L749-S751 PolarHBondContact O-N 3.3Å; S751-Y783 WeakPolarHBondContact O-CE2 3.32Å; S751-C786 VanDerWaalsContact CB-SG 3.59Å; S751-C786 PolarHBondContact OG-SG 3.25Å; S751-S795 WeakPolarHBondContact O-CB 3.45Å; S751-S795 PolarHBondContact O-OG 2.84Å; S751-V796 WeakPolarHBondContact CB-O 3.33Å; S751-V796 PolarHBondContact OG-O 2.9Å; S751-S797 VanDerWaalsContact OG-C 3.25Å; S751-S797 WeakPolarHBondContact OG-CA 2.85Å; S751-S797 PolarHBondContact OG-O 3.46Å
752	H	98.4	Very high	96.2	Very high	33 Å²	33	26.7 Å²	26.7	15%	0.153	14%	0.138	C	C	.	.	S	Bend	trans	-122.3	156.1	-168.3	62.4	-68.6	0	0	0	112.2	C750 R760 S795 S797	C750-H752 PolarHBondContact O-N 3.2Å; H752-R760 PolarHBondContact CE1-O 3.2Å; H752-S795 WeakPolarHBondContact CB-O 3.48Å; H752-S797 WeakPolarHBondContact ND1-CA 3.05Å; H752-S797 WeakPolarHBondContact ND1-CB 3.48Å
753	A	97.1	Very high	96.5	Very high	20 Å²	20	25.8 Å²	25.8	17%	0.165	13%	0.132	C	C	.	.			trans	-75.3	129	171.5	0	0	0	0	0	111.2	Q431 I755	Q431-A753 WeakPolarHBondContact O-CB 3.23Å; A753-I755 PolarHBondContact O-N 3.05Å; A753-I755 VanDerWaalsContact O-N 3.1Å
754	G	93.6	Very high	96.8	Very high	14 Å²	14	24.2 Å²	24.2	14%	0.144	13%	0.126	C	C	.	.			trans	-74.2	92.8	175.5	0	0	0	0	0	112.4	S726 S759	S726-G754 PolarHBondContact OG-O 3.06Å; G754-S759 WeakPolarHBondContact CA-OG 3.3Å
755	I	90.9	Very high	97	Very high	125 Å²	125	22.6 Å²	22.6	64%	0.641	12%	0.118	S	C	*	.			trans	-73.9	-40.6	-178.7	-55.9	174.6	0	0	0	111.6	A753	A753-I755 PolarHBondContact O-N 3.05Å; A753-I755 VanDerWaalsContact O-N 3.1Å
756	Q	89.2	Confident	97	Very high	134 Å²	134	22.5 Å²	22.5	63%	0.626	12%	0.118	S	C	*	.	S	Bend	trans	-144.9	144.9	-175.5	-178.8	-178.8	-13.2	0	0	109.5
757	G	93.6	Very high	97	Very high	16 Å²	16	22.7 Å²	22.7	17%	0.165	12%	0.119	C	C	.	.	S	Bend	trans	71.4	-158.8	177.7	0	0	0	0	0	112.3	R369 N728	R369-G757 CarbonylContact O-C 3.49Å; R369-G757 WeakPolarHBondContact O-CA 3.4Å; N728-G757 PolarHBondContact ND2-O 2.86Å
758	T	96.9	Very high	97	Very high	17 Å²	17	25 Å²	25	10%	0.104	13%	0.127	C	C	.	.			trans	-96.8	131.7	169.6	-40.9	0	0	0	0	110.2	R369 S370 A371 R374 F715	R369-T758 PolarHBondContact O-N 2.87Å; R369-T758 PolarHBondContact O-OG1 2.84Å; S370-T758 PolarHBondContact O-OG1 3.47Å; A371-T758 HydrophobicContact CB-CG2 3.9Å; R374-T758 WeakPolarHBondContact CB-OG1 3.37Å; R374-T758 WeakPolarHBondContact CD-OG1 3.38Å; F715-T758 HydrophobicContact CD1-CG2 4.45Å; F715-T758 HydrophobicContact CE1-CG2 3.74Å; F715-T758 HydrophobicContact CZ-CG2 4.43Å
759	S	97	Very high	96.9	Very high	8 Å²	8	26.2 Å²	26.2	6%	0.056	13%	0.134	C	C	.	.			trans	-66.6	151.1	-180	-55.9	0	0	0	0	111	N728 G754	N728-S759 WeakPolarHBondContact OD1-CB 3.4Å; N728-S759 PolarHBondContact OD1-N 3.16Å; N728-S759 PolarHBondContact OD1-OG 2.87Å; G754-S759 WeakPolarHBondContact CA-OG 3.3Å
760	R	97.4	Very high	96.9	Very high	93 Å²	93	29.2 Å²	29.2	35%	0.351	15%	0.15	S	C	.	.			trans	-107.9	103.9	174.1	-66.5	-176.8	177.9	-120.2	1.4	108.3	H710 H752 S762	H710-R760 PolarHBondContact O-NH1 2.93Å; H752-R760 PolarHBondContact CE1-O 3.2Å; R760-S762 PolarHBondContact O-N 3.34Å
761	P	98.4	Very high	96.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.158	C	C	.	.			trans	-69.9	115.6	178.6	28.9	-33.1	0	0	0	108.7	H710 L714 Y748 C750 H763	H710-P761 PolarHBondContact CE1-O 2.77Å; H710-P761 PolarHBondContact NE2-O 2.87Å; L714-P761 HydrophobicContact CD1-CB 4Å; L714-P761 HydrophobicContact CD1-CG 3.91Å; L714-P761 HydrophobicContact CG-CG 4.06Å; Y748-P761 HydrophobicContact CD1-CG 4.49Å; C750-P761 HydrophobicContact CB-CB 3.91Å; P761-H763 PolarHBondContact O-N 3.16Å
762	S	98.6	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.1	-176.9	-65.7	0	0	0	0	110.6	Y748 L749 R760 Y764 S797 I798	Y748-S762 CarbonylContact C-O 3.56Å; Y748-S762 WeakPolarHBondContact CA-O 3.37Å; L749-S762 PolarHBondContact N-O 3.45Å; L749-S762 PolarHBondContact O-N 3.02Å; L749-S762 VanDerWaalsContact O-N 3.12Å; R760-S762 PolarHBondContact O-N 3.34Å; S762-Y764 WeakPolarHBondContact O-CD2 3.5Å; S762-Y764 WeakPolarHBondContact O-CE2 3.45Å; S762-S797 WeakPolarHBondContact CB-O 3.31Å; S762-S797 PolarHBondContact OG-O 2.74Å; S762-I798 WeakPolarHBondContact OG-CG2 3.45Å
763	H	98.6	Very high	96.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.6	178.7	-176.9	-131.2	0	0	0	109.9	V706 Q707 D746 Y748 P761	V706-H763 CarbonylContact C-O 3.55Å; V706-H763 WeakPolarHBondContact CA-O 3.14Å; Q707-H763 HydrophobicContact CB-CB 4.25Å; Q707-H763 PolarHBondContact N-O 3.08Å; Q707-H763 PolarHBondContact O-N 2.94Å; Q707-H763 PolarHBondContact OE1-ND1 2.76Å; D746-H763 IonicContact OD2-CE1 3.73Å; D746-H763 IonicContact OD2-NE2 2.7Å; D746-H763 PolarHBondContact OD2-NE2 2.84Å; D746-H763 VanDerWaalsContact OD2-NE2 3.15Å; Y748-H763 HydrophobicContact CD1-CB 3.75Å; Y748-H763 AromaticContact CD1-CD2 3.85Å; Y748-H763 HydrophobicContact CE1-CB 3.54Å; Y748-H763 AromaticContact CE1-CD2 3.51Å; Y748-H763 AromaticContact CE1-CG 3.64Å; Y748-H763 AromaticContact CE2-CD2 3.89Å; Y748-H763 AromaticContact CZ-CD2 3.51Å; Y748-H763 AromaticContact CZ-CG 3.98Å; P761-H763 PolarHBondContact O-N 3.16Å
764	Y	98.7	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.5	-180	-60.6	-94.2	0	0	0	107.9	Y666 I704 V705 V706 D746 F747 L749 S762 T782 P799	Y666-Y764 HydrophobicContact CE1-CD1 4.3Å; Y666-Y764 HydrophobicContact CE1-CE1 4.31Å; I704-Y764 HydrophobicContact CG2-CD1 4.3Å; V705-Y764 WeakPolarHBondContact O-CA 3.32Å; V706-Y764 HydrophobicContact CB-CD1 4.49Å; V706-Y764 HydrophobicContact CB-CE1 4.37Å; V706-Y764 HydrophobicContact CG1-CD1 4.27Å; V706-Y764 HydrophobicContact CG1-CE1 3.78Å; V706-Y764 HydrophobicContact CG2-CD1 3.82Å; V706-Y764 HydrophobicContact CG2-CE1 3.77Å; D746-Y764 CarbonylContact C-O 3.54Å; D746-Y764 WeakPolarHBondContact CA-O 3.11Å; D746-Y764 WeakPolarHBondContact CB-O 3.37Å; F747-Y764 HydrophobicContact CD2-CD2 4.03Å; F747-Y764 HydrophobicContact CD2-CG 4.49Å; F747-Y764 HydrophobicContact CE1-CG 4.4Å; F747-Y764 AromaticContact CE2-CD2 3.56Å; F747-Y764 HydrophobicContact CE2-CD2 3.56Å; F747-Y764 HydrophobicContact CE2-CE2 4.33Å; F747-Y764 AromaticContact CE2-CG 3.81Å; F747-Y764 HydrophobicContact CE2-CG 3.81Å; F747-Y764 HydrophobicContact CZ-CD1 4.49Å; F747-Y764 HydrophobicContact CZ-CD2 4.02Å; F747-Y764 AromaticContact CZ-CG 3.76Å; F747-Y764 HydrophobicContact CZ-CG 3.76Å; F747-Y764 PolarHBondContact N-O 3.28Å; F747-Y764 PolarHBondContact O-N 2.89Å; L749-Y764 HydrophobicContact CB-CD2 4.21Å; L749-Y764 HydrophobicContact CB-CE2 3.77Å; L749-Y764 HydrophobicContact CD2-CE2 4.32Å; L749-Y764 HydrophobicContact CG-CE2 4.42Å; S762-Y764 WeakPolarHBondContact O-CD2 3.5Å; S762-Y764 WeakPolarHBondContact O-CE2 3.45Å; Y764-T782 HydrophobicContact CD1-CG2 3.74Å; Y764-T782 HydrophobicContact CD2-CG2 4.44Å; Y764-T782 HydrophobicContact CE1-CG2 3.28Å; Y764-T782 HydrophobicContact CE2-CG2 4.07Å; Y764-T782 HydrophobicContact CG-CG2 4.3Å; Y764-T782 VanDerWaalsContact CZ-CG2 3.46Å; Y764-P799 HydrophobicContact CE1-CG 3.98Å; Y764-P799 WeakPolarHBondContact OH-CD 3.34Å
765	H	98.4	Very high	97	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.9	178.6	-162.1	119.5	0	0	0	108.5	F675 V705 E744 D746 L767	F675-H765 HydrophobicContact CE2-CB 4.14Å; F675-H765 AromaticContact CE2-CG 3.83Å; F675-H765 AromaticContact CE2-ND1 3.9Å; F675-H765 HydrophobicContact CZ-CB 4.37Å; V705-H765 PolarHBondContact N-O 2.92Å; V705-H765 PolarHBondContact O-N 2.85Å; E744-H765 IonicContact OE2-CE1 3.97Å; E744-H765 PolarHBondContact OE2-CE1 3.21Å; E744-H765 IonicContact OE2-NE2 2.62Å; E744-H765 PolarHBondContact OE2-NE2 2.73Å; E744-H765 VanDerWaalsContact OE2-NE2 3.07Å; D746-H765 HydrophobicContact CB-CB 4.24Å; H765-L767 VanDerWaalsContact CD2-CD2 3.43Å; H765-L767 WeakPolarHBondContact CD2-CD2 3.39Å; H765-L767 PolarHBondContact O-N 2.83Å
766	V	98.4	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.1	179.8	-174.7	0	0	0	0	108	P25 T702 I704 F745 W768 D769 F778	P25-V766 WeakPolarHBondContact CD-O 3.5Å; P25-V766 HydrophobicContact CG-CB 4.39Å; P25-V766 HydrophobicContact CG-CG1 3.85Å; T702-V766 HydrophobicContact CG2-CG1 4.18Å; I704-V766 HydrophobicContact CG1-CG2 4.26Å; F745-V766 HydrophobicContact CB-CB 4.09Å; F745-V766 HydrophobicContact CB-CG2 4.46Å; F745-V766 HydrophobicContact CD1-CG2 4.46Å; F745-V766 HydrophobicContact CD2-CB 3.82Å; F745-V766 HydrophobicContact CD2-CG1 4.13Å; F745-V766 HydrophobicContact CD2-CG2 3.66Å; F745-V766 HydrophobicContact CE2-CG2 3.94Å; F745-V766 HydrophobicContact CG-CB 4.07Å; F745-V766 HydrophobicContact CG-CG2 3.94Å; F745-V766 HydrophobicContact CZ-CG2 4.44Å; F745-V766 PolarHBondContact O-N 3.42Å; V766-W768 WeakPolarHBondContact CG1-O 3.46Å; V766-D769 HydrophobicContact CG1-CB 3.97Å; V766-F778 HydrophobicContact CG2-CD1 4.02Å; V766-F778 HydrophobicContact CG2-CE1 3.71Å; V766-F778 HydrophobicContact CG2-CZ 4.47Å
767	L	97.8	Very high	97.7	Very high	7 Å²	7	28 Å²	28	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-16.6	-178.2	-64.2	-173.9	0	0	0	112.9	A24 P25 F675 L679 Y703 V705 H765	A24-L767 WeakPolarHBondContact CA-O 3.09Å; A24-L767 HydrophobicContact CB-CD2 4.38Å; P25-L767 VanDerWaalsContact CD-C 3.49Å; F675-L767 HydrophobicContact CB-CD1 3.96Å; F675-L767 HydrophobicContact CB-CD2 4.18Å; F675-L767 HydrophobicContact CD1-CD1 4.38Å; F675-L767 HydrophobicContact CD2-CD1 4.42Å; F675-L767 HydrophobicContact CD2-CD2 3.7Å; F675-L767 HydrophobicContact CE2-CD2 4.29Å; F675-L767 HydrophobicContact CG-CD1 4.03Å; F675-L767 HydrophobicContact CG-CD2 4.09Å; L679-L767 HydrophobicContact CB-CD1 4.23Å; L679-L767 HydrophobicContact CD1-CB 3.81Å; L679-L767 HydrophobicContact CD2-CB 4Å; L679-L767 WeakPolarHBondContact CD2-O 3.49Å; L679-L767 HydrophobicContact CG-CB 4.35Å; Y703-L767 HydrophobicContact CD1-CB 4.07Å; Y703-L767 HydrophobicContact CD1-CD1 4.28Å; Y703-L767 HydrophobicContact CE1-CD1 4.18Å; Y703-L767 PolarHBondContact O-N 2.98Å; V705-L767 HydrophobicContact CG2-CD1 3.44Å; V705-L767 VanDerWaalsContact CG2-CD1 3.44Å; V705-L767 HydrophobicContact CG2-CG 4.08Å; H765-L767 VanDerWaalsContact CD2-CD2 3.43Å; H765-L767 WeakPolarHBondContact CD2-CD2 3.39Å; H765-L767 PolarHBondContact O-N 2.83Å
768	W	98.4	Very high	97.9	Very high	49 Å²	49	27.2 Å²	27.2	19%	0.186	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	142.3	175.3	-168.6	-98.7	0	0	0	109.7	F22 L679 L683 T702 Y703 V766 D770	F22-W768 HydrophobicContact CB-CE3 4.32Å; F22-W768 HydrophobicContact CB-CZ3 4.16Å; F22-W768 HydrophobicContact CD1-CE3 4.28Å; F22-W768 HydrophobicContact CD1-CH2 4.03Å; F22-W768 AromaticContact CD1-CZ3 3.77Å; F22-W768 HydrophobicContact CD1-CZ3 3.77Å; F22-W768 HydrophobicContact CG-CZ3 4.41Å; L679-W768 HydrophobicContact CD1-CB 4.17Å; L683-W768 HydrophobicContact CD1-CG 4.16Å; L683-W768 HydrophobicContact CD2-CB 4.25Å; L683-W768 HydrophobicContact CD2-CD2 3.63Å; L683-W768 HydrophobicContact CD2-CE3 4.03Å; L683-W768 HydrophobicContact CD2-CG 3.71Å; T702-W768 CarbonylContact C-O 3.58Å; T702-W768 WeakPolarHBondContact CA-O 3.29Å; Y703-W768 PolarHBondContact N-O 3.29Å; Y703-W768 PolarHBondContact O-N 3.23Å; V766-W768 WeakPolarHBondContact CG1-O 3.46Å; W768-D770 PolarHBondContact NE1-OD1 3.13Å; W768-D770 PolarHBondContact NE1-OD2 3.21Å
769	D	98.2	Very high	97.9	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.139	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	95.9	176.8	-171.2	24.2	0	0	0	113.3	P25 T702 V766 N771 C772 F773	P25-D769 HydrophobicContact CG-CB 4.25Å; T702-D769 HydrophobicContact CG2-CB 4.09Å; T702-D769 WeakPolarHBondContact CG2-OD1 3.46Å; T702-D769 PolarHBondContact OG1-OD1 3.4Å; V766-D769 HydrophobicContact CG1-CB 3.97Å; D769-N771 VanDerWaalsContact C-N 3.26Å; D769-N771 WeakPolarHBondContact OD1-CB 3.47Å; D769-N771 PolarHBondContact OD1-N 3.11Å; D769-C772 PolarHBondContact OD1-N 2.94Å; D769-C772 PolarHBondContact OD2-N 3.28Å; D769-F773 PolarHBondContact OD2-N 3.07Å
770	D	98.3	Very high	98	Very high	64 Å²	64	28 Å²	28	34%	0.342	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.1	170.4	-58.6	-47.1	0	0	0	112.3	R687 I701 W768	R687-D770 IonicContact NH2-OD1 2.92Å; I701-D770 PolarHBondContact N-OD2 2.89Å; I701-D770 PolarHBondContact O-N 2.89Å; W768-D770 PolarHBondContact NE1-OD1 3.13Å; W768-D770 PolarHBondContact NE1-OD2 3.21Å
771	N	97.4	Very high	98	Very high	33 Å²	33	23.5 Å²	23.5	18%	0.176	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.4	-173	-64.5	-60.6	0	0	0	113.4	R662 G700 T702 D769 F773	R662-N771 VanDerWaalsContact CD-OD1 3.26Å; R662-N771 WeakPolarHBondContact CD-OD1 3.45Å; R662-N771 WeakPolarHBondContact CG-OD1 3.49Å; G700-N771 PolarHBondContact O-ND2 3.03Å; T702-N771 PolarHBondContact OG1-ND2 3.2Å; D769-N771 VanDerWaalsContact C-N 3.26Å; D769-N771 WeakPolarHBondContact OD1-CB 3.47Å; D769-N771 PolarHBondContact OD1-N 3.11Å; N771-F773 VanDerWaalsContact C-N 3.34Å; N771-F773 HydrophobicContact CB-CD2 3.95Å; N771-F773 HydrophobicContact CB-CE2 3.7Å; N771-F773 PolarHBondContact O-N 3.39Å
772	C	96.3	Very high	98.1	Very high	107 Å²	107	23.5 Å²	23.5	72%	0.723	13%	0.13	S	C	*	.			trans	50.7	48.1	175.5	-56.1	0	0	0	0	113.5	D769	D769-C772 PolarHBondContact OD1-N 2.94Å; D769-C772 PolarHBondContact OD2-N 3.28Å
773	F	97.6	Very high	98.1	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.026	13%	0.131	C	C	.	.			trans	-61.4	141.3	178.8	-82	-78.3	0	0	0	111.7	P28 V585 I664 T702 D769 N771 E777 F778 L781	P28-F773 VanDerWaalsContact CG-O 3.25Å; P28-F773 WeakPolarHBondContact CG-O 3.44Å; V585-F773 HydrophobicContact CB-CE1 4.2Å; V585-F773 HydrophobicContact CB-CZ 4.18Å; V585-F773 HydrophobicContact CG2-CE1 4.3Å; V585-F773 HydrophobicContact CG2-CZ 3.78Å; I664-F773 HydrophobicContact CD1-CE2 3.64Å; I664-F773 HydrophobicContact CD1-CZ 3.81Å; T702-F773 HydrophobicContact CG2-CD2 4.02Å; T702-F773 HydrophobicContact CG2-CE2 4.19Å; T702-F773 WeakPolarHBondContact OG1-CE2 3.34Å; D769-F773 PolarHBondContact OD2-N 3.07Å; N771-F773 VanDerWaalsContact C-N 3.34Å; N771-F773 HydrophobicContact CB-CD2 3.95Å; N771-F773 HydrophobicContact CB-CE2 3.7Å; N771-F773 PolarHBondContact O-N 3.39Å; F773-E777 HydrophobicContact CD1-CB 4.23Å; F773-E777 HydrophobicContact CD1-CG 3.81Å; F773-E777 HydrophobicContact CE1-CG 4.03Å; F773-F778 HydrophobicContact CB-CB 3.91Å; F773-F778 HydrophobicContact CB-CG 4.47Å; F773-F778 HydrophobicContact CD1-CB 4.16Å; F773-F778 HydrophobicContact CD1-CD2 4.31Å; F773-F778 HydrophobicContact CD2-CD2 4.24Å; F773-F778 HydrophobicContact CG-CB 4.11Å; F773-F778 HydrophobicContact CG-CD2 4.13Å; F773-F778 HydrophobicContact CG-CG 4.45Å; F773-L781 HydrophobicContact CE1-CD2 3.92Å; F773-L781 HydrophobicContact CZ-CD2 3.94Å
774	T	98.2	Very high	98	Very high	75 Å²	75	24.5 Å²	24.5	46%	0.46	14%	0.135	S	C	.	.			trans	-76.2	160.1	161.4	66.7	0	0	0	0	110.5	D776 E777 F778	T774-D776 PolarHBondContact O-N 2.91Å; T774-E777 PolarHBondContact O-N 3.21Å; T774-E777 VanDerWaalsContact OG1-CB 3.24Å; T774-E777 WeakPolarHBondContact OG1-CB 3.41Å; T774-E777 PolarHBondContact OG1-N 2.96Å; T774-F778 WeakPolarHBondContact O-CB 3.49Å; T774-F778 PolarHBondContact O-N 2.91Å; T774-F778 VanDerWaalsContact O-N 3.08Å
775	A	98	Very high	98	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-47.6	175.5	0	0	0	0	0	112	G29 F745 F778 Q779	G29-A775 WeakPolarHBondContact O-CB 3.47Å; F745-A775 HydrophobicContact CE1-CB 4.31Å; A775-F778 PolarHBondContact O-N 3.42Å; A775-Q779 VanDerWaalsContact O-CB 3.23Å; A775-Q779 WeakPolarHBondContact O-CB 3.1Å; A775-Q779 WeakPolarHBondContact O-CG 3.18Å; A775-Q779 PolarHBondContact O-N 3.03Å
776	D	98.1	Very high	98.1	Very high	25 Å²	25	24.2 Å²	24.2	13%	0.134	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-48.1	179.6	-80.2	-44.9	0	0	0	112.6	G31 T32 V33 R410 T774 F778 Q779 L780	G31-D776 WeakPolarHBondContact CA-OD1 3.37Å; T32-D776 PolarHBondContact N-OD1 2.88Å; T32-D776 PolarHBondContact N-OD2 3.15Å; T32-D776 PolarHBondContact OG1-OD2 2.96Å; V33-D776 WeakPolarHBondContact CB-OD1 3.48Å; V33-D776 HydrophobicContact CG2-CB 4.1Å; V33-D776 PolarHBondContact N-OD1 3.43Å; R410-D776 IonicContact NH1-OD1 2.74Å; R410-D776 PolarHBondContact NH1-OD1 3.01Å; T774-D776 PolarHBondContact O-N 2.91Å; D776-F778 VanDerWaalsContact C-N 3.31Å; D776-F778 PolarHBondContact O-N 3Å; D776-Q779 PolarHBondContact O-N 2.9Å; D776-L780 VanDerWaalsContact O-CB 3.3Å; D776-L780 WeakPolarHBondContact O-CB 3.37Å; D776-L780 VanDerWaalsContact O-CG 3.27Å; D776-L780 WeakPolarHBondContact O-CG 3.41Å; D776-L780 PolarHBondContact O-N 2.83Å
777	E	97.1	Very high	98.1	Very high	51 Å²	51	24.3 Å²	24.3	24%	0.238	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-46	-179.2	-176	174.7	-164.7	0	0	111.1	S583 A584 V585 F773 T774 L781	S583-E777 WeakPolarHBondContact OG-CG 3.4Å; S583-E777 PolarHBondContact OG-OE1 3.1Å; A584-E777 PolarHBondContact N-OE1 3.37Å; V585-E777 PolarHBondContact N-OE1 3.3Å; F773-E777 HydrophobicContact CD1-CB 4.23Å; F773-E777 HydrophobicContact CD1-CG 3.81Å; F773-E777 HydrophobicContact CE1-CG 4.03Å; T774-E777 PolarHBondContact O-N 3.21Å; T774-E777 VanDerWaalsContact OG1-CB 3.24Å; T774-E777 WeakPolarHBondContact OG1-CB 3.41Å; T774-E777 PolarHBondContact OG1-N 2.96Å; E777-L781 VanDerWaalsContact O-CB 3.24Å; E777-L781 WeakPolarHBondContact O-CB 3.45Å; E777-L781 PolarHBondContact O-N 2.95Å
778	F	97.3	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.9	-40.5	-177	-170.9	-116.6	0	0	0	113	Y666 I704 F745 F747 V766 F773 T774 A775 D776 L781 T782	Y666-F778 HydrophobicContact CE1-CZ 4.17Å; I704-F778 HydrophobicContact CB-CZ 4.19Å; I704-F778 HydrophobicContact CD1-CE2 3.73Å; I704-F778 HydrophobicContact CD1-CZ 3.54Å; I704-F778 HydrophobicContact CG1-CE1 4.06Å; I704-F778 HydrophobicContact CG1-CE2 4.02Å; I704-F778 HydrophobicContact CG1-CZ 3.37Å; I704-F778 HydrophobicContact CG2-CE1 4.16Å; I704-F778 HydrophobicContact CG2-CZ 3.95Å; F745-F778 HydrophobicContact CE2-CD1 4.49Å; F745-F778 HydrophobicContact CZ-CB 4.2Å; F745-F778 HydrophobicContact CZ-CD1 4.1Å; F745-F778 HydrophobicContact CZ-CG 4.5Å; F747-F778 AromaticContact CE1-CD1 3.45Å; F747-F778 HydrophobicContact CE1-CD1 3.45Å; F747-F778 VanDerWaalsContact CE1-CD1 3.45Å; F747-F778 AromaticContact CE1-CE1 3.51Å; F747-F778 HydrophobicContact CE1-CE1 3.51Å; F747-F778 AromaticContact CZ-CD1 3.75Å; F747-F778 HydrophobicContact CZ-CD1 3.75Å; F747-F778 AromaticContact CZ-CE1 3.66Å; F747-F778 HydrophobicContact CZ-CE1 3.66Å; V766-F778 HydrophobicContact CG2-CD1 4.02Å; V766-F778 HydrophobicContact CG2-CE1 3.71Å; V766-F778 HydrophobicContact CG2-CZ 4.47Å; F773-F778 HydrophobicContact CB-CB 3.91Å; F773-F778 HydrophobicContact CB-CG 4.47Å; F773-F778 HydrophobicContact CD1-CB 4.16Å; F773-F778 HydrophobicContact CD1-CD2 4.31Å; F773-F778 HydrophobicContact CD2-CD2 4.24Å; F773-F778 HydrophobicContact CG-CB 4.11Å; F773-F778 HydrophobicContact CG-CD2 4.13Å; F773-F778 HydrophobicContact CG-CG 4.45Å; T774-F778 WeakPolarHBondContact O-CB 3.49Å; T774-F778 PolarHBondContact O-N 2.91Å; T774-F778 VanDerWaalsContact O-N 3.08Å; A775-F778 PolarHBondContact O-N 3.42Å; D776-F778 VanDerWaalsContact C-N 3.31Å; D776-F778 PolarHBondContact O-N 3Å; F778-L781 HydrophobicContact CD2-CD2 4.4Å; F778-L781 PolarHBondContact O-N 3.28Å; F778-T782 WeakPolarHBondContact O-CB 3.25Å; F778-T782 PolarHBondContact O-N 3.34Å; F778-T782 PolarHBondContact O-OG1 3.37Å
779	Q	98.7	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-44.3	176.6	-72.1	164.4	11.7	0	0	111.2	L412 T734 D736 F747 A775 D776 T782 Y783	L412-Q779 HydrophobicContact CD1-CB 4.1Å; T734-Q779 HydrophobicContact CG2-CG 4.16Å; D736-Q779 PolarHBondContact OD2-NE2 3.47Å; F747-Q779 HydrophobicContact CD1-CG 4.17Å; F747-Q779 HydrophobicContact CD2-CG 3.82Å; F747-Q779 HydrophobicContact CE1-CG 4.21Å; F747-Q779 HydrophobicContact CE2-CB 4.46Å; F747-Q779 HydrophobicContact CE2-CG 3.83Å; F747-Q779 HydrophobicContact CG-CG 3.99Å; F747-Q779 HydrophobicContact CZ-CG 4.03Å; A775-Q779 VanDerWaalsContact O-CB 3.23Å; A775-Q779 WeakPolarHBondContact O-CB 3.1Å; A775-Q779 WeakPolarHBondContact O-CG 3.18Å; A775-Q779 PolarHBondContact O-N 3.03Å; D776-Q779 PolarHBondContact O-N 2.9Å; Q779-T782 PolarHBondContact O-N 3Å; Q779-Y783 WeakPolarHBondContact O-CB 3.36Å; Q779-Y783 PolarHBondContact O-N 3.21Å
780	L	98.1	Very high	98.1	Very high	40 Å²	40	22.1 Å²	22.1	21%	0.209	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-47.9	175.3	-73.8	168.8	0	0	0	111.3	V33 L412 P413 D776 T782 Y783 Q784	V33-L780 HydrophobicContact CB-CD1 4.49Å; V33-L780 HydrophobicContact CG1-CD1 4.23Å; V33-L780 HydrophobicContact CG1-CD2 4.27Å; V33-L780 HydrophobicContact CG2-CD1 4.46Å; L412-L780 HydrophobicContact CB-CD2 4.39Å; L412-L780 HydrophobicContact CD2-CD2 4.23Å; P413-L780 HydrophobicContact CG-CD2 4.03Å; D776-L780 VanDerWaalsContact O-CB 3.3Å; D776-L780 WeakPolarHBondContact O-CB 3.37Å; D776-L780 VanDerWaalsContact O-CG 3.27Å; D776-L780 WeakPolarHBondContact O-CG 3.41Å; D776-L780 PolarHBondContact O-N 2.83Å; L780-T782 VanDerWaalsContact C-N 3.31Å; L780-T782 PolarHBondContact O-N 3.33Å; L780-Y783 PolarHBondContact O-N 3.12Å; L780-Y783 VanDerWaalsContact O-N 3.13Å; L780-Q784 WeakPolarHBondContact O-CB 3.49Å; L780-Q784 VanDerWaalsContact O-CG 3.26Å; L780-Q784 WeakPolarHBondContact O-CG 3.48Å; L780-Q784 PolarHBondContact O-N 3.47Å
781	L	98.4	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.1	-48.1	176.4	174.8	62.8	0	0	0	111.4	V585 F586 F592 F773 E777 F778 Y783 Q784 L785	V585-L781 HydrophobicContact CG1-CD1 4.12Å; V585-L781 HydrophobicContact CG1-CD2 4.14Å; F586-L781 HydrophobicContact CE2-CD1 3.58Å; F586-L781 HydrophobicContact CZ-CD1 4.02Å; F592-L781 HydrophobicContact CE1-CD1 3.88Å; F592-L781 HydrophobicContact CE1-CD2 4.18Å; F592-L781 HydrophobicContact CE1-CG 4.37Å; F592-L781 HydrophobicContact CZ-CD1 4.01Å; F773-L781 HydrophobicContact CE1-CD2 3.92Å; F773-L781 HydrophobicContact CZ-CD2 3.94Å; E777-L781 VanDerWaalsContact O-CB 3.24Å; E777-L781 WeakPolarHBondContact O-CB 3.45Å; E777-L781 PolarHBondContact O-N 2.95Å; F778-L781 HydrophobicContact CD2-CD2 4.4Å; F778-L781 PolarHBondContact O-N 3.28Å; L781-Y783 VanDerWaalsContact C-N 3.32Å; L781-Y783 PolarHBondContact O-N 2.9Å; L781-Q784 PolarHBondContact O-N 2.87Å; L781-L785 HydrophobicContact CD1-CD1 4.38Å; L781-L785 HydrophobicContact CD1-CG 4.44Å; L781-L785 HydrophobicContact CG-CD1 4.39Å; L781-L785 WeakPolarHBondContact O-CG 3.48Å; L781-L785 PolarHBondContact O-N 2.95Å
782	T	98.7	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.7	-45.3	177.5	-58.8	0	0	0	0	111	Y666 L749 Y764 F778 Q779 L780 L785 C786 P799	Y666-T782 HydrophobicContact CE1-CG2 4.18Å; Y666-T782 PolarHBondContact OH-OG1 3.1Å; L749-T782 HydrophobicContact CD2-CG2 3.87Å; Y764-T782 HydrophobicContact CD1-CG2 3.74Å; Y764-T782 HydrophobicContact CD2-CG2 4.44Å; Y764-T782 HydrophobicContact CE1-CG2 3.28Å; Y764-T782 HydrophobicContact CE2-CG2 4.07Å; Y764-T782 HydrophobicContact CG-CG2 4.3Å; Y764-T782 VanDerWaalsContact CZ-CG2 3.46Å; F778-T782 WeakPolarHBondContact O-CB 3.25Å; F778-T782 PolarHBondContact O-N 3.34Å; F778-T782 PolarHBondContact O-OG1 3.37Å; Q779-T782 PolarHBondContact O-N 3Å; L780-T782 VanDerWaalsContact C-N 3.31Å; L780-T782 PolarHBondContact O-N 3.33Å; T782-L785 PolarHBondContact O-N 3.39Å; T782-C786 PolarHBondContact O-N 3.47Å; T782-C786 PolarHBondContact O-SG 3.26Å; T782-C786 VanDerWaalsContact O-SG 3.42Å; T782-P799 HydrophobicContact CG2-CG 3.94Å
783	Y	98.6	Very high	98.1	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-66.9	-38	178.6	-170.2	-141.2	0	0	0	112.4	L412 A414 A731 G732 L749 S751 Q779 L780 L781 L785 C786 H787	L412-Y783 HydrophobicContact CB-CD1 3.7Å; L412-Y783 HydrophobicContact CB-CE1 4.05Å; L412-Y783 HydrophobicContact CD1-CD1 4.33Å; L412-Y783 HydrophobicContact CD1-CG 4.42Å; A414-Y783 HydrophobicContact CB-CE1 4.25Å; A731-Y783 PolarHBondContact O-OH 2.82Å; G732-Y783 PolarHBondContact N-OH 2.85Å; L749-Y783 HydrophobicContact CD1-CD2 4.04Å; L749-Y783 HydrophobicContact CD1-CG 4.31Å; L749-Y783 HydrophobicContact CD2-CD2 4.28Å; L749-Y783 HydrophobicContact CD2-CG 4.45Å; S751-Y783 WeakPolarHBondContact O-CE2 3.32Å; Q779-Y783 WeakPolarHBondContact O-CB 3.36Å; Q779-Y783 PolarHBondContact O-N 3.21Å; L780-Y783 PolarHBondContact O-N 3.12Å; L780-Y783 VanDerWaalsContact O-N 3.13Å; L781-Y783 VanDerWaalsContact C-N 3.32Å; L781-Y783 PolarHBondContact O-N 2.9Å; Y783-L785 PolarHBondContact O-N 2.68Å; Y783-C786 WeakPolarHBondContact O-CB 3.46Å; Y783-C786 PolarHBondContact O-N 3.43Å; Y783-C786 VanDerWaalsContact O-N 3.15Å; Y783-H787 AromaticContact CD2-CE1 3.81Å; Y783-H787 AromaticContact CE1-CE1 3.97Å; Y783-H787 AromaticContact CE2-CE1 3.44Å; Y783-H787 VanDerWaalsContact CE2-CE1 3.44Å; Y783-H787 WeakPolarHBondContact CE2-CE1 3.21Å; Y783-H787 AromaticContact CZ-CE1 3.53Å; Y783-H787 PolarHBondContact O-CE1 2.91Å; Y783-H787 PolarHBondContact O-ND1 3.02Å
784	Q	98.3	Very high	98.1	Very high	19 Å²	19	21.5 Å²	21.5	9%	0.089	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-43.6	175.3	-71.7	-176.7	-8	0	0	111.8	P415 L577 Q581 L780 L781 C786 H787	P415-Q784 HydrophobicContact CB-CG 4.02Å; P415-Q784 HydrophobicContact CG-CB 4.48Å; P415-Q784 HydrophobicContact CG-CG 4.14Å; L577-Q784 HydrophobicContact CD1-CB 3.94Å; L577-Q784 HydrophobicContact CD2-CB 4.26Å; Q581-Q784 PolarHBondContact O-NE2 3.43Å; L780-Q784 WeakPolarHBondContact O-CB 3.49Å; L780-Q784 VanDerWaalsContact O-CG 3.26Å; L780-Q784 WeakPolarHBondContact O-CG 3.48Å; L780-Q784 PolarHBondContact O-N 3.47Å; L781-Q784 PolarHBondContact O-N 2.87Å; Q784-C786 PolarHBondContact O-N 3.21Å; Q784-H787 WeakPolarHBondContact O-CB 3.11Å; Q784-H787 PolarHBondContact O-N 3.25Å
785	L	98.6	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-17.7	176.8	-66.2	173.9	0	0	0	113.6	F592 P621 Y666 L781 T782 Y783 H787 T788 P799 A800	F592-L785 HydrophobicContact CD1-CD1 3.7Å; F592-L785 HydrophobicContact CD1-CD2 4.34Å; F592-L785 HydrophobicContact CE1-CD1 3.93Å; F592-L785 HydrophobicContact CE1-CD2 4.49Å; F592-L785 HydrophobicContact CG-CD1 4.47Å; F592-L785 HydrophobicContact CG-CD2 4.46Å; P621-L785 HydrophobicContact CG-CD2 3.77Å; Y666-L785 HydrophobicContact CE2-CD1 3.56Å; L781-L785 HydrophobicContact CD1-CD1 4.38Å; L781-L785 HydrophobicContact CD1-CG 4.44Å; L781-L785 HydrophobicContact CG-CD1 4.39Å; L781-L785 WeakPolarHBondContact O-CG 3.48Å; L781-L785 PolarHBondContact O-N 2.95Å; T782-L785 PolarHBondContact O-N 3.39Å; Y783-L785 PolarHBondContact O-N 2.68Å; L785-H787 PolarHBondContact O-N 3Å; L785-T788 PolarHBondContact O-OG1 3.19Å; L785-T788 VanDerWaalsContact O-OG1 3.08Å; L785-P799 HydrophobicContact CB-CB 3.87Å; L785-A800 WeakPolarHBondContact O-CB 3.39Å; L785-A800 PolarHBondContact O-N 2.79Å
786	C	98.7	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.6	170.1	-68.2	0	0	0	0	113.1	S751 T782 Y783 Q784 S795 V796	S751-C786 VanDerWaalsContact CB-SG 3.59Å; S751-C786 PolarHBondContact OG-SG 3.25Å; T782-C786 PolarHBondContact O-N 3.47Å; T782-C786 PolarHBondContact O-SG 3.26Å; T782-C786 VanDerWaalsContact O-SG 3.42Å; Y783-C786 WeakPolarHBondContact O-CB 3.46Å; Y783-C786 PolarHBondContact O-N 3.43Å; Y783-C786 VanDerWaalsContact O-N 3.15Å; Q784-C786 PolarHBondContact O-N 3.21Å; C786-S795 WeakPolarHBondContact O-CA 3.27Å; C786-V796 WeakPolarHBondContact CB-O 3.41Å; C786-V796 VanDerWaalsContact O-CG2 3.27Å; C786-V796 WeakPolarHBondContact O-CG2 3.36Å; C786-V796 PolarHBondContact O-N 3.36Å
787	H	98.6	Very high	98.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.083	C	C	.	.	S	Bend	trans	-99.2	-8.4	178.9	-63.3	75.7	0	0	0	113.5	P415 L417 W434 Y783 Q784 L785 Y789 S795	P415-H787 VanDerWaalsContact CD-CE1 3.5Å; P415-H787 WeakPolarHBondContact CD-CE1 3.37Å; P415-H787 HydrophobicContact CG-CB 3.92Å; L417-H787 HydrophobicContact CD2-CB 4.25Å; W434-H787 HydrophobicContact CH2-CB 4.29Å; W434-H787 AromaticContact CZ3-CD2 3.71Å; Y783-H787 AromaticContact CD2-CE1 3.81Å; Y783-H787 AromaticContact CE1-CE1 3.97Å; Y783-H787 AromaticContact CE2-CE1 3.44Å; Y783-H787 VanDerWaalsContact CE2-CE1 3.44Å; Y783-H787 WeakPolarHBondContact CE2-CE1 3.21Å; Y783-H787 AromaticContact CZ-CE1 3.53Å; Y783-H787 PolarHBondContact O-CE1 2.91Å; Y783-H787 PolarHBondContact O-ND1 3.02Å; Q784-H787 WeakPolarHBondContact O-CB 3.11Å; Q784-H787 PolarHBondContact O-N 3.25Å; L785-H787 PolarHBondContact O-N 3Å; H787-Y789 VanDerWaalsContact C-N 3.31Å; H787-S795 PolarHBondContact CE1-OG 3.2Å; H787-S795 WeakPolarHBondContact NE2-CB 3.14Å
788	T	98.3	Very high	98.2	Very high	8 Å²	8	15.5 Å²	15.5	5%	0.049	7%	0.073	C	C	.	.			trans	-90.5	7.3	-179.5	62.5	0	0	0	0	113.3	L577 L785 V790 A800 Y804	L577-T788 HydrophobicContact CD1-CG2 3.75Å; L577-T788 HydrophobicContact CD2-CG2 4.06Å; L577-T788 HydrophobicContact CG-CG2 3.72Å; L785-T788 PolarHBondContact O-OG1 3.19Å; L785-T788 VanDerWaalsContact O-OG1 3.08Å; T788-V790 PolarHBondContact O-N 3.39Å; T788-A800 WeakPolarHBondContact OG1-CB 3.28Å; T788-Y804 PolarHBondContact O-OH 2.97Å; T788-Y804 VanDerWaalsContact O-OH 3.13Å
789	Y	98.5	Very high	98.3	Very high	20 Å²	20	15.5 Å²	15.5	8%	0.078	7%	0.073	C	C	.	.			trans	-75.5	115.2	178.8	-177.7	-109.5	0	0	0	111.7	H787 R791 V796 Y803 Y804 L807	H787-Y789 VanDerWaalsContact C-N 3.31Å; Y789-R791 VanDerWaalsContact C-N 3.34Å; Y789-R791 HydrophobicContact CD1-CB 4.21Å; Y789-R791 HydrophobicContact CE1-CB 3.6Å; Y789-R791 HydrophobicContact CE1-CG 4.21Å; Y789-R791 HydrophobicContact CE2-CG 4.48Å; Y789-R791 PolarHBondContact O-N 2.83Å; Y789-R791 WeakPolarHBondContact OH-CD 3.43Å; Y789-V796 HydrophobicContact CD1-CG1 3.43Å; Y789-V796 VanDerWaalsContact CD1-CG1 3.43Å; Y789-V796 HydrophobicContact CD1-CG2 4.38Å; Y789-V796 HydrophobicContact CE1-CG1 3.96Å; Y789-V796 HydrophobicContact CG-CG1 3.96Å; Y789-V796 HydrophobicContact CG-CG2 4.04Å; Y789-Y803 HydrophobicContact CD2-CG 4.43Å; Y789-Y803 HydrophobicContact CE2-CD1 4.27Å; Y789-Y803 HydrophobicContact CE2-CG 4.09Å; Y789-Y804 WeakPolarHBondContact CA-OH 3.39Å; Y789-Y804 AromaticContact CD2-CD1 3.98Å; Y789-Y804 HydrophobicContact CD2-CD1 3.98Å; Y789-Y804 AromaticContact CD2-CE1 3.33Å; Y789-Y804 HydrophobicContact CD2-CE1 3.33Å; Y789-Y804 AromaticContact CD2-CZ 3.87Å; Y789-Y804 AromaticContact CE2-CD1 3.85Å; Y789-Y804 HydrophobicContact CE2-CD1 3.85Å; Y789-Y804 AromaticContact CE2-CE1 3.52Å; Y789-Y804 HydrophobicContact CE2-CE1 3.52Å; Y789-Y804 HydrophobicContact CG-CE1 4.45Å; Y789-L807 HydrophobicContact CE2-CD1 4.24Å
790	V	97.9	Very high	98.3	Very high	8 Å²	8	15.5 Å²	15.5	5%	0.048	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.5	-164	-65.1	0	0	0	0	116	L564 V568 N574 T788 Y804 M855	L564-V790 WeakPolarHBondContact CB-O 3.23Å; V568-V790 HydrophobicContact CB-CG2 4.42Å; V568-V790 HydrophobicContact CG1-CG2 4.11Å; V568-V790 HydrophobicContact CG2-CB 3.79Å; V568-V790 HydrophobicContact CG2-CG1 3.92Å; V568-V790 HydrophobicContact CG2-CG2 4Å; N574-V790 PolarHBondContact ND2-O 3.44Å; N574-V790 VanDerWaalsContact ND2-O 3.13Å; T788-V790 PolarHBondContact O-N 3.39Å; V790-Y804 WeakPolarHBondContact CG1-OH 3.32Å; V790-Y804 HydrophobicContact CG2-CE1 4.1Å; V790-Y804 WeakPolarHBondContact CG2-OH 3.5Å; V790-Y804 PolarHBondContact N-OH 3.16Å; V790-M855 HydrophobicContact CG2-CE 4.25Å
791	R	97.6	Very high	98.3	Very high	81 Å²	81	13.6 Å²	13.6	31%	0.306	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-6	-171.2	-62.7	-179.8	56.9	173.1	-0.1	114.4	K565 Y789 A858	K565-R791 HydrophobicContact CG-CG 4.3Å; Y789-R791 VanDerWaalsContact C-N 3.34Å; Y789-R791 HydrophobicContact CD1-CB 4.21Å; Y789-R791 HydrophobicContact CE1-CB 3.6Å; Y789-R791 HydrophobicContact CE1-CG 4.21Å; Y789-R791 HydrophobicContact CE2-CG 4.48Å; Y789-R791 PolarHBondContact O-N 2.83Å; Y789-R791 WeakPolarHBondContact OH-CD 3.43Å; R791-A858 WeakPolarHBondContact CD-OXT 3.06Å; R791-A858 WeakPolarHBondContact CG-OXT 3.36Å; R791-A858 PolarHBondContact NE-OXT 2.87Å
792	C	97.1	Very high	98.3	Very high	27 Å²	27	13.6 Å²	13.6	18%	0.182	6%	0.063	C	C	.	.	S	Bend	trans	-155.9	159.5	176.5	56.1	0	0	0	0	111.1	R794	C792-R794 HydrophobicContact CB-CG 4.36Å; C792-R794 PolarHBondContact O-N 3.29Å
793	T	97.5	Very high	98.2	Very high	13 Å²	13	16 Å²	16	8%	0.08	7%	0.072	C	C	.	.	S	Bend	trans	-89.5	56	170.7	52.9	0	0	0	0	111.3	W434 M436	W434-T793 VanDerWaalsContact CE2-CA 3.41Å; W434-T793 VanDerWaalsContact CZ2-CA 3.49Å; W434-T793 PolarHBondContact N-O 2.85Å; W434-T793 WeakPolarHBondContact O-CB 3.47Å; W434-T793 PolarHBondContact O-OG1 3.21Å; M436-T793 HydrophobicContact CG-CG2 3.77Å
794	R	97.9	Very high	98.3	Very high	76 Å²	76	15.8 Å²	15.8	29%	0.287	7%	0.071	S	C	.	.	B	Isolated β-bridge	trans	-143.3	148.2	-177.4	-55.4	179.7	70.5	87.8	2.4	110	G432 V433 W434 C792 V796	G432-R794 WeakPolarHBondContact O-CA 3.4Å; V433-R794 HydrophobicContact CG1-CG 4.38Å; V433-R794 HydrophobicContact CG2-CG 4.47Å; V433-R794 VanDerWaalsContact CG2-CZ 3.4Å; V433-R794 VanDerWaalsContact CG2-NH1 3.33Å; W434-R794 VanDerWaalsContact CH2-C 3.43Å; W434-R794 VanDerWaalsContact CH2-N 3.31Å; W434-R794 WeakPolarHBondContact CH2-O 3.41Å; W434-R794 VanDerWaalsContact CZ3-CA 3.45Å; C792-R794 HydrophobicContact CB-CG 4.36Å; C792-R794 PolarHBondContact O-N 3.29Å; R794-V796 PolarHBondContact O-N 3.11Å
795	S	98.5	Very high	98.3	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.028	7%	0.067	C	C	.	.			trans	-70.1	123	164.5	-174.3	0	0	0	0	109.1	G432 S751 H752 C786 H787	G432-S795 PolarHBondContact O-N 2.79Å; S751-S795 WeakPolarHBondContact O-CB 3.45Å; S751-S795 PolarHBondContact O-OG 2.84Å; H752-S795 WeakPolarHBondContact CB-O 3.48Å; C786-S795 WeakPolarHBondContact O-CA 3.27Å; H787-S795 PolarHBondContact CE1-OG 3.2Å; H787-S795 WeakPolarHBondContact NE2-CB 3.14Å
796	V	98.3	Very high	98.1	Very high	15 Å²	15	16.8 Å²	16.8	9%	0.091	8%	0.076	C	C	.	.			trans	-90.7	164.9	-179.9	-70.7	0	0	0	0	111.7	S751 C786 Y789 R794 I798 Y803	S751-V796 WeakPolarHBondContact CB-O 3.33Å; S751-V796 PolarHBondContact OG-O 2.9Å; C786-V796 WeakPolarHBondContact CB-O 3.41Å; C786-V796 VanDerWaalsContact O-CG2 3.27Å; C786-V796 WeakPolarHBondContact O-CG2 3.36Å; C786-V796 PolarHBondContact O-N 3.36Å; Y789-V796 HydrophobicContact CD1-CG1 3.43Å; Y789-V796 VanDerWaalsContact CD1-CG1 3.43Å; Y789-V796 HydrophobicContact CD1-CG2 4.38Å; Y789-V796 HydrophobicContact CE1-CG1 3.96Å; Y789-V796 HydrophobicContact CG-CG1 3.96Å; Y789-V796 HydrophobicContact CG-CG2 4.04Å; R794-V796 PolarHBondContact O-N 3.11Å; V796-I798 VanDerWaalsContact C-N 3.29Å; V796-I798 WeakPolarHBondContact CG2-O 3.47Å; V796-I798 PolarHBondContact O-N 3.49Å; V796-Y803 HydrophobicContact CB-CD2 3.92Å; V796-Y803 HydrophobicContact CB-CE2 3.8Å; V796-Y803 HydrophobicContact CG1-CE2 4.38Å; V796-Y803 HydrophobicContact CG2-CD2 3.85Å; V796-Y803 HydrophobicContact CG2-CE2 4.25Å
797	S	98	Very high	98.1	Very high	5 Å²	5	17.9 Å²	17.9	4%	0.035	8%	0.082	C	C	.	.	S	Bend	trans	-72.3	-16	-170.6	62.6	0	0	0	0	115.5	K708 S751 H752 S762	K708-S797 WeakPolarHBondContact CE-OG 3.46Å; K708-S797 PolarHBondContact NZ-OG 3.04Å; S751-S797 VanDerWaalsContact OG-C 3.25Å; S751-S797 WeakPolarHBondContact OG-CA 2.85Å; S751-S797 PolarHBondContact OG-O 3.46Å; H752-S797 WeakPolarHBondContact ND1-CA 3.05Å; H752-S797 WeakPolarHBondContact ND1-CB 3.48Å; S762-S797 WeakPolarHBondContact CB-O 3.31Å; S762-S797 PolarHBondContact OG-O 2.74Å
798	I	98.4	Very high	98.1	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	8%	0.081	C	C	.	.	S	Bend	trans	-142.7	158.2	179.3	56.9	177.3	0	0	0	107.9	V706 K708 S762 V796 A802 Y803	V706-I798 HydrophobicContact CG1-CB 4.22Å; V706-I798 HydrophobicContact CG1-CG2 3.63Å; K708-I798 HydrophobicContact CB-CG2 4.32Å; K708-I798 HydrophobicContact CD-CG2 4.42Å; S762-I798 WeakPolarHBondContact OG-CG2 3.45Å; V796-I798 VanDerWaalsContact C-N 3.29Å; V796-I798 WeakPolarHBondContact CG2-O 3.47Å; V796-I798 PolarHBondContact O-N 3.49Å; I798-A802 HydrophobicContact CD1-CB 4.12Å; I798-Y803 HydrophobicContact CD1-CD2 3.85Å; I798-Y803 HydrophobicContact CD1-CE2 4.18Å; I798-Y803 HydrophobicContact CD1-CG 4.05Å; I798-Y803 HydrophobicContact CG1-CD2 3.2Å; I798-Y803 HydrophobicContact CG1-CE2 3.57Å; I798-Y803 HydrophobicContact CG1-CG 3.87Å
799	P	98.7	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.			trans	-55	144	-179.2	-29.4	39.1	0	0	0	111.9	Y666 Y764 T782 L785 P801 A802 Y803	Y666-P799 HydrophobicContact CD1-CB 4.48Å; Y666-P799 HydrophobicContact CD1-CG 3.89Å; Y666-P799 HydrophobicContact CE1-CB 4.49Å; Y666-P799 HydrophobicContact CE1-CG 3.74Å; Y666-P799 HydrophobicContact CG-CG 4.41Å; Y764-P799 HydrophobicContact CE1-CG 3.98Å; Y764-P799 WeakPolarHBondContact OH-CD 3.34Å; T782-P799 HydrophobicContact CG2-CG 3.94Å; L785-P799 HydrophobicContact CB-CB 3.87Å; P799-P801 VanDerWaalsContact C-CD 3.45Å; P799-P801 VanDerWaalsContact C-N 3.33Å; P799-P801 HydrophobicContact CB-CG 4.02Å; P799-A802 PolarHBondContact O-N 2.99Å; P799-A802 VanDerWaalsContact O-N 3.1Å; P799-Y803 PolarHBondContact O-N 2.99Å
800	A	98.7	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-45.9	-46.2	176.7	0	0	0	0	0	114.2	L785 T788 A802 Y803 Y804	L785-A800 WeakPolarHBondContact O-CB 3.39Å; L785-A800 PolarHBondContact O-N 2.79Å; T788-A800 WeakPolarHBondContact OG1-CB 3.28Å; A800-A802 PolarHBondContact O-N 3.18Å; A800-Y803 PolarHBondContact O-N 3.25Å; A800-Y804 HydrophobicContact CB-CD2 4.34Å; A800-Y804 HydrophobicContact CB-CE2 3.71Å; A800-Y804 WeakPolarHBondContact O-CB 3.35Å; A800-Y804 WeakPolarHBondContact O-CD2 3.46Å; A800-Y804 PolarHBondContact O-N 3.08Å
801	P	98.7	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.6	-48.1	176.7	15.8	-29.9	0	0	0	113.7	V614 Y624 Y666 P799 Y803 Y804 A805	V614-P801 HydrophobicContact CG2-CB 4.25Å; V614-P801 WeakPolarHBondContact CG2-O 3.39Å; Y624-P801 HydrophobicContact CE1-CB 3.78Å; Y624-P801 HydrophobicContact CE1-CG 4.43Å; Y666-P801 HydrophobicContact CD2-CG 4.16Å; P799-P801 VanDerWaalsContact C-CD 3.45Å; P799-P801 VanDerWaalsContact C-N 3.33Å; P799-P801 HydrophobicContact CB-CG 4.02Å; P801-Y803 VanDerWaalsContact C-N 3.34Å; P801-Y803 PolarHBondContact O-N 3.32Å; P801-Y804 PolarHBondContact O-N 2.9Å; P801-A805 PolarHBondContact O-N 2.93Å
802	A	98.2	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-41.8	177.8	0	0	0	0	0	111.3	I798 P799 A800 Y804 A805 H806	I798-A802 HydrophobicContact CD1-CB 4.12Å; P799-A802 PolarHBondContact O-N 2.99Å; P799-A802 VanDerWaalsContact O-N 3.1Å; A800-A802 PolarHBondContact O-N 3.18Å; A802-Y804 VanDerWaalsContact C-N 3.33Å; A802-Y804 PolarHBondContact O-N 2.89Å; A802-A805 PolarHBondContact O-N 2.91Å; A802-H806 PolarHBondContact O-N 3.11Å
803	Y	98.1	Very high	97.4	Very high	51 Å²	51	18.4 Å²	18.4	20%	0.2	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-40	176.1	-123.7	-55.8	0	0	0	112.4	Y789 V796 I798 P799 A800 P801 L807	Y789-Y803 HydrophobicContact CD2-CG 4.43Å; Y789-Y803 HydrophobicContact CE2-CD1 4.27Å; Y789-Y803 HydrophobicContact CE2-CG 4.09Å; V796-Y803 HydrophobicContact CB-CD2 3.92Å; V796-Y803 HydrophobicContact CB-CE2 3.8Å; V796-Y803 HydrophobicContact CG1-CE2 4.38Å; V796-Y803 HydrophobicContact CG2-CD2 3.85Å; V796-Y803 HydrophobicContact CG2-CE2 4.25Å; I798-Y803 HydrophobicContact CD1-CD2 3.85Å; I798-Y803 HydrophobicContact CD1-CE2 4.18Å; I798-Y803 HydrophobicContact CD1-CG 4.05Å; I798-Y803 HydrophobicContact CG1-CD2 3.2Å; I798-Y803 HydrophobicContact CG1-CE2 3.57Å; I798-Y803 HydrophobicContact CG1-CG 3.87Å; P799-Y803 PolarHBondContact O-N 2.99Å; A800-Y803 PolarHBondContact O-N 3.25Å; P801-Y803 VanDerWaalsContact C-N 3.34Å; P801-Y803 PolarHBondContact O-N 3.32Å; Y803-L807 WeakPolarHBondContact O-CG 3.32Å; Y803-L807 PolarHBondContact O-N 2.83Å
804	Y	98.8	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.8	-41.1	178.5	-64.9	-33.6	0	0	0	112.4	Y624 T788 Y789 V790 A800 P801 A802 H806 L807 V808 M855 F857	Y624-Y804 HydrophobicContact CD1-CD2 4.17Å; Y624-Y804 AromaticContact CD2-CD2 3.71Å; Y624-Y804 HydrophobicContact CD2-CD2 3.71Å; Y624-Y804 AromaticContact CD2-CE2 3.45Å; Y624-Y804 HydrophobicContact CD2-CE2 3.45Å; Y624-Y804 VanDerWaalsContact CD2-CE2 3.45Å; Y624-Y804 HydrophobicContact CE2-CD2 4.18Å; Y624-Y804 AromaticContact CE2-CE2 3.75Å; Y624-Y804 HydrophobicContact CE2-CE2 3.75Å; Y624-Y804 AromaticContact CG-CD2 3.74Å; Y624-Y804 HydrophobicContact CG-CD2 3.74Å; Y624-Y804 AromaticContact CG-CE2 3.98Å; Y624-Y804 HydrophobicContact CG-CE2 3.98Å; T788-Y804 PolarHBondContact O-OH 2.97Å; T788-Y804 VanDerWaalsContact O-OH 3.13Å; Y789-Y804 WeakPolarHBondContact CA-OH 3.39Å; Y789-Y804 AromaticContact CD2-CD1 3.98Å; Y789-Y804 HydrophobicContact CD2-CD1 3.98Å; Y789-Y804 AromaticContact CD2-CE1 3.33Å; Y789-Y804 HydrophobicContact CD2-CE1 3.33Å; Y789-Y804 AromaticContact CD2-CZ 3.87Å; Y789-Y804 AromaticContact CE2-CD1 3.85Å; Y789-Y804 HydrophobicContact CE2-CD1 3.85Å; Y789-Y804 AromaticContact CE2-CE1 3.52Å; Y789-Y804 HydrophobicContact CE2-CE1 3.52Å; Y789-Y804 HydrophobicContact CG-CE1 4.45Å; V790-Y804 WeakPolarHBondContact CG1-OH 3.32Å; V790-Y804 HydrophobicContact CG2-CE1 4.1Å; V790-Y804 WeakPolarHBondContact CG2-OH 3.5Å; V790-Y804 PolarHBondContact N-OH 3.16Å; A800-Y804 HydrophobicContact CB-CD2 4.34Å; A800-Y804 HydrophobicContact CB-CE2 3.71Å; A800-Y804 WeakPolarHBondContact O-CB 3.35Å; A800-Y804 WeakPolarHBondContact O-CD2 3.46Å; A800-Y804 PolarHBondContact O-N 3.08Å; P801-Y804 PolarHBondContact O-N 2.9Å; A802-Y804 VanDerWaalsContact C-N 3.33Å; A802-Y804 PolarHBondContact O-N 2.89Å; Y804-H806 VanDerWaalsContact C-N 3.28Å; Y804-H806 PolarHBondContact O-N 2.91Å; Y804-L807 HydrophobicContact CD1-CD1 4.32Å; Y804-L807 WeakPolarHBondContact O-CB 3.46Å; Y804-L807 PolarHBondContact O-N 2.9Å; Y804-V808 WeakPolarHBondContact O-CG2 3.46Å; Y804-V808 PolarHBondContact O-N 3.44Å; Y804-M855 HydrophobicContact CD2-CE 4.33Å; Y804-M855 HydrophobicContact CE1-CE 4.11Å; Y804-M855 HydrophobicContact CE2-CE 3.88Å; Y804-F857 HydrophobicContact CD1-CD2 4.29Å; Y804-F857 AromaticContact CD1-CE2 3.78Å; Y804-F857 HydrophobicContact CD1-CE2 3.78Å; Y804-F857 HydrophobicContact CD2-CE2 4.42Å; Y804-F857 AromaticContact CG-CE2 3.72Å; Y804-F857 HydrophobicContact CG-CE2 3.72Å
805	A	98.4	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.6	-45.5	175	0	0	0	0	0	111.5	G594 D596 A612 V614 P801 A802 L807 V808 A809	G594-A805 WeakPolarHBondContact O-CB 3.07Å; D596-A805 HydrophobicContact CB-CB 3.88Å; A612-A805 HydrophobicContact CB-CB 4.49Å; A612-A805 WeakPolarHBondContact CB-O 3.29Å; V614-A805 HydrophobicContact CG2-CB 4.44Å; P801-A805 PolarHBondContact O-N 2.93Å; A802-A805 PolarHBondContact O-N 2.91Å; A805-L807 VanDerWaalsContact C-N 3.35Å; A805-L807 PolarHBondContact O-N 2.85Å; A805-V808 WeakPolarHBondContact O-CB 3.31Å; A805-V808 PolarHBondContact O-N 3.43Å; A805-V808 VanDerWaalsContact O-N 3.16Å; A805-A809 PolarHBondContact O-N 3.22Å
806	H	96.1	Very high	96.6	Very high	39 Å²	39	20.3 Å²	20.3	18%	0.181	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-36.2	175.1	176.9	-104.8	0	0	0	113.2	D596 A802 Y804 F810	D596-H806 HydrophobicContact CB-CB 4.41Å; D596-H806 IonicContact OD2-CD2 2.74Å; A802-H806 PolarHBondContact O-N 3.11Å; Y804-H806 VanDerWaalsContact C-N 3.28Å; Y804-H806 PolarHBondContact O-N 2.91Å; H806-F810 AromaticContact CD2-CE2 3.97Å; H806-F810 AromaticContact CE1-CD2 3.54Å; H806-F810 AromaticContact CE1-CE2 3.08Å; H806-F810 WeakPolarHBondContact CE1-CE2 3.36Å; H806-F810 AromaticContact ND1-CD2 3.78Å; H806-F810 AromaticContact ND1-CE2 3.8Å; H806-F810 AromaticContact NE2-CD2 3.78Å; H806-F810 AromaticContact NE2-CE2 3.14Å; H806-F810 WeakPolarHBondContact NE2-CE2 3.27Å; H806-F810 AromaticContact NE2-CZ 3.79Å; H806-F810 WeakPolarHBondContact O-CB 3.34Å; H806-F810 PolarHBondContact O-N 2.84Å
807	L	97.8	Very high	95.9	Very high	24 Å²	24	22.5 Å²	22.5	13%	0.126	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-37.8	173.1	-68	-178.8	0	0	0	112.6	Y789 Y803 Y804 A805 R811 F857	Y789-L807 HydrophobicContact CE2-CD1 4.24Å; Y803-L807 WeakPolarHBondContact O-CG 3.32Å; Y803-L807 PolarHBondContact O-N 2.83Å; Y804-L807 HydrophobicContact CD1-CD1 4.32Å; Y804-L807 WeakPolarHBondContact O-CB 3.46Å; Y804-L807 PolarHBondContact O-N 2.9Å; A805-L807 VanDerWaalsContact C-N 3.35Å; A805-L807 PolarHBondContact O-N 2.85Å; L807-R811 WeakPolarHBondContact O-CB 3.34Å; L807-R811 PolarHBondContact O-N 2.89Å; L807-F857 HydrophobicContact CB-CB 4.27Å; L807-F857 HydrophobicContact CB-CD2 4.39Å
808	V	98.6	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.9	-48.5	176.5	171.6	0	0	0	0	110.3	A612 V614 A626 V628 Y804 A805 F810 R811 A812 F857	A612-V808 HydrophobicContact CB-CB 3.79Å; A612-V808 HydrophobicContact CB-CG1 3.62Å; V614-V808 HydrophobicContact CG1-CG2 3.89Å; A626-V808 HydrophobicContact CB-CB 4.48Å; A626-V808 HydrophobicContact CB-CG1 4.11Å; A626-V808 HydrophobicContact CB-CG2 3.54Å; V628-V808 HydrophobicContact CB-CG1 3.83Å; V628-V808 HydrophobicContact CG2-CG1 4.07Å; Y804-V808 WeakPolarHBondContact O-CG2 3.46Å; Y804-V808 PolarHBondContact O-N 3.44Å; A805-V808 WeakPolarHBondContact O-CB 3.31Å; A805-V808 PolarHBondContact O-N 3.43Å; A805-V808 VanDerWaalsContact O-N 3.16Å; V808-F810 VanDerWaalsContact C-N 3.31Å; V808-F810 PolarHBondContact O-N 2.91Å; V808-R811 WeakPolarHBondContact O-CB 3.26Å; V808-R811 PolarHBondContact O-N 3.04Å; V808-R811 VanDerWaalsContact O-N 3.08Å; V808-A812 PolarHBondContact O-N 2.83Å; V808-F857 HydrophobicContact CG2-CB 3.78Å; V808-F857 HydrophobicContact CG2-CD1 3.43Å; V808-F857 VanDerWaalsContact CG2-CD1 3.43Å; V808-F857 HydrophobicContact CG2-CD2 4.15Å; V808-F857 HydrophobicContact CG2-CE1 4.01Å; V808-F857 HydrophobicContact CG2-CG 3.51Å
809	A	96.3	Very high	92.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-42.2	177.5	0	0	0	0	0	111.7	I610 A612 A805 A812 R813	I610-A809 HydrophobicContact CG2-CB 4.12Å; A612-A809 HydrophobicContact CB-CB 3.96Å; A805-A809 PolarHBondContact O-N 3.22Å; A809-A812 PolarHBondContact O-N 3.45Å; A809-R813 PolarHBondContact O-N 3.17Å; A809-R813 VanDerWaalsContact O-N 3.09Å
810	F	93.8	Very high	89.2	Confident	97 Å²	97	37.7 Å²	37.7	43%	0.425	17%	0.172	S	C	.	.	H	α-helix	trans	-65.9	-36.4	173.9	-89.2	-43.2	0	0	0	113.6	T598 H806 V808 R813 Y814	T598-F810 HydrophobicContact CG2-CE1 4.44Å; H806-F810 AromaticContact CD2-CE2 3.97Å; H806-F810 AromaticContact CE1-CD2 3.54Å; H806-F810 AromaticContact CE1-CE2 3.08Å; H806-F810 WeakPolarHBondContact CE1-CE2 3.36Å; H806-F810 AromaticContact ND1-CD2 3.78Å; H806-F810 AromaticContact ND1-CE2 3.8Å; H806-F810 AromaticContact NE2-CD2 3.78Å; H806-F810 AromaticContact NE2-CE2 3.14Å; H806-F810 WeakPolarHBondContact NE2-CE2 3.27Å; H806-F810 AromaticContact NE2-CZ 3.79Å; H806-F810 WeakPolarHBondContact O-CB 3.34Å; H806-F810 PolarHBondContact O-N 2.84Å; V808-F810 VanDerWaalsContact C-N 3.31Å; V808-F810 PolarHBondContact O-N 2.91Å; F810-R813 WeakPolarHBondContact O-CB 3.33Å; F810-R813 PolarHBondContact O-N 3.49Å; F810-Y814 WeakPolarHBondContact O-CD2 3.45Å; F810-Y814 PolarHBondContact O-N 2.89Å
811	R	96.5	Very high	86.5	Confident	13 Å²	13	45 Å²	45	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.2	-177.3	60.5	63.9	71.1	16.4	111.4	D536 L807 V808 R813 Y814 H815 Y856 F857	D536-R811 IonicContact OD1-NH1 3.16Å; D536-R811 WeakPolarHBondContact OD2-CD 3.28Å; D536-R811 IonicContact OD2-CZ 3.52Å; D536-R811 IonicContact OD2-NE 2.78Å; D536-R811 IonicContact OD2-NH1 3.72Å; D536-R811 PolarHBondContact OD2-NH1 2.7Å; L807-R811 WeakPolarHBondContact O-CB 3.34Å; L807-R811 PolarHBondContact O-N 2.89Å; V808-R811 WeakPolarHBondContact O-CB 3.26Å; V808-R811 PolarHBondContact O-N 3.04Å; V808-R811 VanDerWaalsContact O-N 3.08Å; R811-R813 PolarHBondContact O-N 3.17Å; R811-Y814 WeakPolarHBondContact O-CA 3.38Å; R811-Y814 WeakPolarHBondContact O-CB 3.5Å; R811-Y814 PolarHBondContact O-N 3.29Å; R811-H815 PolarHBondContact O-N 2.91Å; R811-H815 VanDerWaalsContact O-N 3.09Å; R811-Y856 HydrophobicContact CB-CE2 4.4Å; R811-Y856 HydrophobicContact CG-CD2 4.12Å; R811-Y856 HydrophobicContact CG-CE2 3.63Å; R811-Y856 PolarHBondContact NH1-O 3.26Å; R811-Y856 PolarHBondContact NH2-O 3.18Å; R811-F857 PolarHBondContact NH2-O 3.35Å
812	A	95.8	Very high	83.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-33.5	174.8	0	0	0	0	0	112.4	I610 V628 V808 A809 Y814 H815 L816 V845	I610-A812 HydrophobicContact CD1-CB 4.17Å; I610-A812 HydrophobicContact CG2-CB 3.84Å; V628-A812 HydrophobicContact CG2-CB 3.58Å; V808-A812 PolarHBondContact O-N 2.83Å; A809-A812 PolarHBondContact O-N 3.45Å; A812-Y814 VanDerWaalsContact C-N 3.25Å; A812-Y814 PolarHBondContact O-N 3.26Å; A812-H815 WeakPolarHBondContact O-CB 3.33Å; A812-H815 PolarHBondContact O-N 3.04Å; A812-H815 VanDerWaalsContact O-N 3.1Å; A812-L816 WeakPolarHBondContact O-CG 3.42Å; A812-L816 PolarHBondContact O-N 3.33Å; A812-V845 HydrophobicContact CB-CB 4.12Å; A812-V845 HydrophobicContact CB-CG1 3.78Å
813	R	92.6	Very high	80	Confident	46 Å²	46	55.9 Å²	55.9	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-35	172.2	-170.9	64.5	69.2	-169.6	2.6	112.4	T598 P608 I610 A809 F810 R811	T598-R813 PolarHBondContact O-NH2 3.04Å; P608-R813 PolarHBondContact O-NH1 3.38Å; P608-R813 PolarHBondContact O-NH2 3.31Å; I610-R813 HydrophobicContact CD1-CB 3.78Å; A809-R813 PolarHBondContact O-N 3.17Å; A809-R813 VanDerWaalsContact O-N 3.09Å; F810-R813 WeakPolarHBondContact O-CB 3.33Å; F810-R813 PolarHBondContact O-N 3.49Å; R811-R813 PolarHBondContact O-N 3.17Å
814	Y	92.4	Very high	76.7	Confident	106 Å²	106	57.5 Å²	57.5	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-70.8	-35.2	172.7	-82.1	-73.5	0	0	0	112.6	Y528 A529 F810 R811 A812 L816 V817	Y528-Y814 AromaticContact CD1-CD1 3.84Å; Y528-Y814 HydrophobicContact CD1-CD1 3.84Å; Y528-Y814 AromaticContact CD1-CE1 3.69Å; Y528-Y814 HydrophobicContact CD1-CE1 3.69Å; Y528-Y814 HydrophobicContact CD1-CE2 4.45Å; Y528-Y814 HydrophobicContact CD1-CG 4.27Å; Y528-Y814 HydrophobicContact CE1-CD1 4.01Å; Y528-Y814 AromaticContact CE1-CD2 3.92Å; Y528-Y814 HydrophobicContact CE1-CD2 3.92Å; Y528-Y814 AromaticContact CE1-CE1 3.94Å; Y528-Y814 HydrophobicContact CE1-CE1 3.94Å; Y528-Y814 AromaticContact CE1-CE2 3.85Å; Y528-Y814 HydrophobicContact CE1-CE2 3.85Å; Y528-Y814 AromaticContact CE1-CG 3.99Å; Y528-Y814 HydrophobicContact CE1-CG 3.99Å; Y528-Y814 AromaticContact CE1-CZ 3.85Å; A529-Y814 HydrophobicContact CB-CD1 4.04Å; F810-Y814 WeakPolarHBondContact O-CD2 3.45Å; F810-Y814 PolarHBondContact O-N 2.89Å; R811-Y814 WeakPolarHBondContact O-CA 3.38Å; R811-Y814 WeakPolarHBondContact O-CB 3.5Å; R811-Y814 PolarHBondContact O-N 3.29Å; A812-Y814 VanDerWaalsContact C-N 3.25Å; A812-Y814 PolarHBondContact O-N 3.26Å; Y814-L816 PolarHBondContact O-N 3Å; Y814-V817 WeakPolarHBondContact O-CB 3.49Å; Y814-V817 PolarHBondContact O-N 3.14Å
815	H	94	Very high	73.4	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.032	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-26.6	175	-57.4	156.2	0	0	0	113	K532 D536 R811 A812 V817 A844	K532-H815 PolarHBondContact O-NE2 3.48Å; D536-H815 IonicContact OD2-CE1 3.97Å; D536-H815 IonicContact OD2-NE2 2.76Å; D536-H815 PolarHBondContact OD2-NE2 3.02Å; D536-H815 VanDerWaalsContact OD2-NE2 3.09Å; R811-H815 PolarHBondContact O-N 2.91Å; R811-H815 VanDerWaalsContact O-N 3.09Å; A812-H815 WeakPolarHBondContact O-CB 3.33Å; A812-H815 PolarHBondContact O-N 3.04Å; A812-H815 VanDerWaalsContact O-N 3.1Å; H815-V817 VanDerWaalsContact C-N 3.32Å; H815-A844 WeakPolarHBondContact CB-O 3.23Å
816	L	89.7	Confident	70	Confident	20 Å²	20	69.9 Å²	69.9	11%	0.105	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	0.3	174.3	-67.5	177.1	0	0	0	114.3	P608 I610 V630 A812 Y814 D818 L841 A844 V845	P608-L816 HydrophobicContact CG-CD1 4.11Å; I610-L816 HydrophobicContact CD1-CD1 3.85Å; I610-L816 HydrophobicContact CG1-CD1 4.23Å; V630-L816 HydrophobicContact CG1-CD1 4.07Å; A812-L816 WeakPolarHBondContact O-CG 3.42Å; A812-L816 PolarHBondContact O-N 3.33Å; Y814-L816 PolarHBondContact O-N 3Å; L816-D818 PolarHBondContact O-N 3.24Å; L816-L841 HydrophobicContact CD2-CB 4.46Å; L816-L841 HydrophobicContact CD2-CD2 3.82Å; L816-A844 HydrophobicContact CD2-CB 3.82Å; L816-V845 HydrophobicContact CD1-CG1 4.11Å; L816-V845 HydrophobicContact CD2-CG1 3.8Å; L816-V845 HydrophobicContact CG-CG1 3.73Å
817	V	83.8	Confident	67	Low	61 Å²	61	72.8 Å²	72.8	37%	0.37	40%	0.398	S	S	.	.			trans	-74	123.9	176.4	177.3	0	0	0	0	108.8	A529 Y814 H815	A529-V817 HydrophobicContact CB-CB 4.16Å; A529-V817 HydrophobicContact CB-CG1 4.37Å; A529-V817 HydrophobicContact CB-CG2 4.48Å; Y814-V817 WeakPolarHBondContact O-CB 3.49Å; Y814-V817 PolarHBondContact O-N 3.14Å; H815-V817 VanDerWaalsContact C-N 3.32Å
818	D	66.9	Low	63.5	Low	50 Å²	50	81 Å²	81	27%	0.267	44%	0.436	S	S	.	.			trans	-81.8	147.5	176.6	-63.7	-54	0	0	0	113	L816 E820 R836	L816-D818 PolarHBondContact O-N 3.24Å; D818-E820 PolarHBondContact O-N 3.36Å; D818-R836 IonicContact OD1-CZ 3.21Å; D818-R836 IonicContact OD1-NH1 3.57Å; D818-R836 PolarHBondContact OD1-NH1 3.4Å; D818-R836 IonicContact OD1-NH2 3.5Å; D818-R836 PolarHBondContact OD1-NH2 2.87Å; D818-R836 IonicContact OD2-CZ 3.76Å; D818-R836 IonicContact OD2-NE 3Å; D818-R836 IonicContact OD2-NH1 2.75Å; D818-R836 PolarHBondContact OD2-NH1 3.46Å; D818-R836 IonicContact OD2-NH2 2.78Å; D818-R836 PolarHBondContact OD2-NH2 2.89Å
819	K	51.4	Low	60.5	Low	111 Å²	111	87.6 Å²	87.6	48%	0.483	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24	167.5	-66.5	-166.4	174.5	-161.3	0	112.8	D498 E530	D498-K819 IonicContact OD1-NZ 3.77Å; D498-K819 PolarHBondContact OD1-NZ 2.82Å; D498-K819 VanDerWaalsContact OD1-NZ 3.16Å; E530-K819 WeakPolarHBondContact OE1-CE 3.35Å; E530-K819 IonicContact OE1-NZ 3.32Å; E530-K819 PolarHBondContact OE1-NZ 3.01Å
820	E	37.2	Very low	57.2	Low	166 Å²	166	93.3 Å²	93.3	78%	0.776	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.8	-168.5	-64.9	-174.4	161.7	0	0	116	D818	D818-E820 PolarHBondContact O-N 3.36Å
821	H	41	Very low	53.9	Low	154 Å²	154	92 Å²	92	71%	0.713	53%	0.53	S	S	*	.	S	Bend	trans	-117.4	0.7	-170.3	-97.5	-26.9	0	0	0	118.2
822	D	35	Very low	50.9	Low	142 Å²	142	99.9 Å²	99.9	76%	0.759	57%	0.567	S	S	*	*	S	Bend	trans	-118.5	3	172.5	-90.2	-22.1	0	0	0	114.3	A824	D822-A824 PolarHBondContact O-N 3.07Å
823	S	26.2	Very low	47.9	Very low	86 Å²	86	104.5 Å²	104.5	60%	0.601	60%	0.599	S	S	*	*			trans	-77.1	105.7	165.9	-53.9	0	0	0	0	108.5	E825	S823-E825 PolarHBondContact O-N 3.34Å
824	A	29.2	Very low	45.2	Very low	86 Å²	86	108.8 Å²	108.8	71%	0.711	63%	0.626	S	S	*	*			trans	-67.4	70.9	158.7	0	0	0	0	0	108.6	D822	D822-A824 PolarHBondContact O-N 3.07Å
825	E	29.7	Very low	43.1	Very low	180 Å²	180	107 Å²	107	84%	0.841	64%	0.64	S	S	*	*			trans	-173	128.9	170.5	-108.7	159.8	-147.9	0	0	109.7	S823	S823-E825 PolarHBondContact O-N 3.34Å
826	G	27	Very low	41.4	Very low	80 Å²	80	112.4 Å²	112.4	83%	0.825	66%	0.66	S	S	*	*			trans	89.5	92	165.1	0	0	0	0	0	116.6
827	S	32.3	Very low	40.7	Very low	99 Å²	99	115.9 Å²	115.9	69%	0.692	68%	0.678	S	S	*	*			trans	-81.9	124.2	161.9	53.4	0	0	0	0	110.8
828	H	24.8	Very low	40.6	Very low	196 Å²	196	117.6 Å²	117.6	91%	0.907	69%	0.691	S	S	*	*			trans	-119.6	126.2	145.4	-82.4	-72	0	0	0	109.1
829	V	34.3	Very low	41.5	Very low	139 Å²	139	122.2 Å²	122.2	84%	0.842	71%	0.711	S	S	*	*			trans	-83	118.4	172.6	176.6	0	0	0	0	107.4
830	S	27.2	Very low	43.2	Very low	120 Å²	120	119.6 Å²	119.6	84%	0.839	71%	0.71	S	S	*	*			trans	177.2	140.3	134.1	44.6	0	0	0	0	110.2
831	G	25	Very low	45.6	Very low	70 Å²	70	113 Å²	113	72%	0.722	68%	0.68	S	S	*	*			trans	110.9	106.1	176.5	0	0	0	0	0	112.7	S833	G831-S833 PolarHBondContact O-N 3.43Å
832	Q	33.7	Very low	47.9	Very low	179 Å²	179	107.7 Å²	107.7	84%	0.836	66%	0.663	S	S	*	*			trans	-44.7	107.6	164.4	-68.1	164	-18.2	0	0	109.7	N834	Q832-N834 PolarHBondContact O-N 2.62Å
833	S	33.7	Very low	50.6	Low	96 Å²	96	108.6 Å²	108.6	67%	0.671	66%	0.66	S	S	*	*			trans	-75.3	77.5	164.6	48.3	0	0	0	0	108.1	G831 G835	G831-S833 PolarHBondContact O-N 3.43Å; S833-G835 PolarHBondContact O-N 2.83Å
834	N	35.9	Very low	53.7	Low	137 Å²	137	106.1 Å²	106.1	73%	0.733	65%	0.645	S	S	*	*			trans	-44	134.7	148.6	-84.4	-18.5	0	0	0	107.1	Q832 R836	Q832-N834 PolarHBondContact O-N 2.62Å; N834-R836 PolarHBondContact O-N 3.42Å
835	G	47	Very low	56.7	Low	69 Å²	69	102.1 Å²	102.1	71%	0.711	61%	0.612	S	S	*	*			trans	-45.1	131.7	179	0	0	0	0	0	109.5	S833 D837	S833-G835 PolarHBondContact O-N 2.83Å; G835-D837 PolarHBondContact O-N 3.24Å
836	R	57.8	Low	59.8	Low	120 Å²	120	99.9 Å²	99.9	45%	0.453	60%	0.601	S	S	.	*			trans	-44.5	137.6	179	-74.3	168.7	173	-152.2	-15.2	110.2	D818 N834 P838 L841	D818-R836 IonicContact OD1-CZ 3.21Å; D818-R836 IonicContact OD1-NH1 3.57Å; D818-R836 PolarHBondContact OD1-NH1 3.4Å; D818-R836 IonicContact OD1-NH2 3.5Å; D818-R836 PolarHBondContact OD1-NH2 2.87Å; D818-R836 IonicContact OD2-CZ 3.76Å; D818-R836 IonicContact OD2-NE 3Å; D818-R836 IonicContact OD2-NH1 2.75Å; D818-R836 PolarHBondContact OD2-NH1 3.46Å; D818-R836 IonicContact OD2-NH2 2.78Å; D818-R836 PolarHBondContact OD2-NH2 2.89Å; N834-R836 PolarHBondContact O-N 3.42Å; R836-P838 WeakPolarHBondContact O-CD 3.23Å; R836-P838 VanDerWaalsContact O-N 3.12Å; R836-L841 HydrophobicContact CB-CD1 4.25Å; R836-L841 HydrophobicContact CB-CD2 4.4Å; R836-L841 HydrophobicContact CB-CG 4.11Å
837	D	76.3	Confident	63	Low	92 Å²	92	96.8 Å²	96.8	49%	0.492	57%	0.565	S	S	.	*			trans	-46.2	121.1	170.6	-179.2	-0.2	0	0	0	109	G835 Q839 A840 L841	G835-D837 PolarHBondContact O-N 3.24Å; D837-Q839 PolarHBondContact O-N 2.85Å; D837-Q839 WeakPolarHBondContact OD1-CB 3.47Å; D837-Q839 PolarHBondContact OD1-N 2.85Å; D837-A840 HydrophobicContact CB-CB 4.45Å; D837-A840 WeakPolarHBondContact O-CB 3.38Å; D837-A840 PolarHBondContact O-N 3.29Å; D837-L841 PolarHBondContact O-N 3.04Å
838	P	80.9	Confident	66.1	Low	98 Å²	98	93.5 Å²	93.5	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-47.1	-31.6	174.7	-30.1	36	0	0	0	113.2	R836 L841 A842	R836-P838 WeakPolarHBondContact O-CD 3.23Å; R836-P838 VanDerWaalsContact O-N 3.12Å; P838-L841 PolarHBondContact O-N 2.96Å; P838-A842 WeakPolarHBondContact O-CB 3.46Å; P838-A842 PolarHBondContact O-N 3.43Å
839	Q	85.3	Confident	69.5	Low	146 Å²	146	90.1 Å²	90.1	68%	0.682	52%	0.524	S	S	*	.	H	α-helix	trans	-66.3	-38.3	178	-163.9	172.2	12.8	0	0	112.8	D837 A842 K843	D837-Q839 PolarHBondContact O-N 2.85Å; D837-Q839 WeakPolarHBondContact OD1-CB 3.47Å; D837-Q839 PolarHBondContact OD1-N 2.85Å; Q839-A842 PolarHBondContact O-N 3.28Å; Q839-K843 WeakPolarHBondContact O-CB 3.44Å; Q839-K843 PolarHBondContact O-N 3.5Å
840	A	87.1	Confident	72.3	Confident	56 Å²	56	87.4 Å²	87.4	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-40.2	176.3	0	0	0	0	0	111.7	D837 K843 A844	D837-A840 HydrophobicContact CB-CB 4.45Å; D837-A840 WeakPolarHBondContact O-CB 3.38Å; D837-A840 PolarHBondContact O-N 3.29Å; A840-K843 PolarHBondContact O-N 3.12Å; A840-A844 WeakPolarHBondContact O-CB 3.38Å; A840-A844 PolarHBondContact O-N 3.03Å
841	L	88.2	Confident	75.7	Confident	27 Å²	27	82 Å²	82	14%	0.141	47%	0.466	C	S	.	.	H	α-helix	trans	-65.1	-39.4	175.3	-67.3	171.5	0	0	0	111.7	P608 V630 L816 R836 D837 P838 A844	P608-L841 HydrophobicContact CG-CD1 4.18Å; V630-L841 HydrophobicContact CG1-CB 4.48Å; V630-L841 HydrophobicContact CG2-CB 3.97Å; L816-L841 HydrophobicContact CD2-CB 4.46Å; L816-L841 HydrophobicContact CD2-CD2 3.82Å; R836-L841 HydrophobicContact CB-CD1 4.25Å; R836-L841 HydrophobicContact CB-CD2 4.4Å; R836-L841 HydrophobicContact CB-CG 4.11Å; D837-L841 PolarHBondContact O-N 3.04Å; P838-L841 PolarHBondContact O-N 2.96Å; L841-A844 PolarHBondContact O-N 2.8Å
842	A	90.5	Very high	79	Confident	44 Å²	44	82.4 Å²	82.4	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-64.6	-44.2	175.5	0	0	0	0	0	111.9	V630 P838 Q839 A844 V845 Q846	V630-A842 HydrophobicContact CG2-CB 4.16Å; P838-A842 WeakPolarHBondContact O-CB 3.46Å; P838-A842 PolarHBondContact O-N 3.43Å; Q839-A842 PolarHBondContact O-N 3.28Å; A842-A844 VanDerWaalsContact C-N 3.31Å; A842-A844 PolarHBondContact O-N 2.89Å; A842-V845 VanDerWaalsContact O-CG2 3.26Å; A842-V845 WeakPolarHBondContact O-CG2 3.33Å; A842-V845 PolarHBondContact O-N 3.41Å; A842-Q846 PolarHBondContact O-N 2.89Å
843	K	90.3	Very high	81.8	Confident	160 Å²	160	80.8 Å²	80.8	70%	0.696	44%	0.438	S	S	*	.	H	α-helix	trans	-62.5	-37.4	176.6	-172.3	175.1	-178.5	177.8	0	112.4	Q839 A840 V845 Q846	Q839-K843 WeakPolarHBondContact O-CB 3.44Å; Q839-K843 PolarHBondContact O-N 3.5Å; A840-K843 PolarHBondContact O-N 3.12Å; K843-V845 VanDerWaalsContact C-N 3.28Å; K843-V845 PolarHBondContact O-N 3.46Å; K843-Q846 WeakPolarHBondContact O-CB 3.26Å; K843-Q846 PolarHBondContact O-N 3.41Å
844	A	90.7	Very high	84.8	Confident	34 Å²	34	78 Å²	78	28%	0.281	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-29.2	-178.8	0	0	0	0	0	113.7	H815 L816 A840 L841 A842	H815-A844 WeakPolarHBondContact CB-O 3.23Å; L816-A844 HydrophobicContact CD2-CB 3.82Å; A840-A844 WeakPolarHBondContact O-CB 3.38Å; A840-A844 PolarHBondContact O-N 3.03Å; L841-A844 PolarHBondContact O-N 2.8Å; A842-A844 VanDerWaalsContact C-N 3.31Å; A842-A844 PolarHBondContact O-N 2.89Å
845	V	93.8	Very high	87.8	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.018	38%	0.384	C	S	.	.	H	α-helix	trans	-93.8	-6	177.8	-58.9	0	0	0	0	113.3	V628 V630 A812 L816 A842 K843 I847	V628-V845 HydrophobicContact CG1-CB 4.31Å; V628-V845 HydrophobicContact CG1-CG2 4.49Å; V628-V845 WeakPolarHBondContact CG1-O 3.45Å; V630-V845 HydrophobicContact CG1-CG1 3.96Å; V630-V845 HydrophobicContact CG1-CG2 4.09Å; A812-V845 HydrophobicContact CB-CB 4.12Å; A812-V845 HydrophobicContact CB-CG1 3.78Å; L816-V845 HydrophobicContact CD1-CG1 4.11Å; L816-V845 HydrophobicContact CD2-CG1 3.8Å; L816-V845 HydrophobicContact CG-CG1 3.73Å; A842-V845 VanDerWaalsContact O-CG2 3.26Å; A842-V845 WeakPolarHBondContact O-CG2 3.33Å; A842-V845 PolarHBondContact O-N 3.41Å; K843-V845 VanDerWaalsContact C-N 3.28Å; K843-V845 PolarHBondContact O-N 3.46Å; V845-I847 PolarHBondContact O-N 3.03Å
846	Q	93.6	Very high	90.3	Very high	133 Å²	133	69.1 Å²	69.1	62%	0.621	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-71.6	122.2	177.2	-170.1	174.8	9.2	0	0	109.8	T537 A842 K843	T537-Q846 VanDerWaalsContact CB-O 3.31Å; T537-Q846 WeakPolarHBondContact CB-O 3.22Å; T537-Q846 WeakPolarHBondContact CG2-O 3.43Å; A842-Q846 PolarHBondContact O-N 2.89Å; K843-Q846 WeakPolarHBondContact O-CB 3.26Å; K843-Q846 PolarHBondContact O-N 3.41Å
847	I	95.2	Very high	92.2	Very high	14 Å²	14	63.5 Å²	63.5	7%	0.072	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-83	154	179.4	60.8	-178.1	0	0	0	111.6	T537 V845 T851 L852 Y856	T537-I847 HydrophobicContact CG2-CG2 4.48Å; V845-I847 PolarHBondContact O-N 3.03Å; I847-T851 HydrophobicContact CB-CG2 4.17Å; I847-T851 HydrophobicContact CD1-CG2 4.29Å; I847-L852 HydrophobicContact CD1-CD2 3.88Å; I847-L852 HydrophobicContact CD1-CG 4.45Å; I847-L852 HydrophobicContact CG1-CD2 3.54Å; I847-L852 HydrophobicContact CG1-CG 4.12Å; I847-Y856 HydrophobicContact CD1-CD1 4.26Å; I847-Y856 HydrophobicContact CD1-CE1 3.63Å; I847-Y856 HydrophobicContact CG2-CE1 4.24Å; I847-Y856 HydrophobicContact CG2-CE2 3.97Å
848	H	97.6	Very high	93	Very high	31 Å²	31	59.2 Å²	59.2	14%	0.144	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.8	153	178.4	-172.1	-95.6	0	0	0	111.1	D536 T537 L538 G540 D850 T851 L852	D536-H848 PolarHBondContact O-N 2.95Å; T537-H848 WeakPolarHBondContact O-CB 3.5Å; L538-H848 PolarHBondContact O-CD2 3.46Å; L538-H848 VanDerWaalsContact O-CD2 3.26Å; G540-H848 WeakPolarHBondContact CA-ND1 3.46Å; H848-D850 VanDerWaalsContact C-N 3.31Å; H848-D850 IonicContact CE1-OD2 2.77Å; H848-D850 PolarHBondContact CE1-OD2 3.04Å; H848-D850 PolarHBondContact ND1-N 3.42Å; H848-D850 IonicContact ND1-OD2 3.58Å; H848-D850 PolarHBondContact O-N 2.93Å; H848-T851 WeakPolarHBondContact O-CA 3.4Å; H848-T851 VanDerWaalsContact O-CB 3.31Å; H848-T851 WeakPolarHBondContact O-CB 3.5Å; H848-T851 PolarHBondContact O-N 2.81Å; H848-L852 PolarHBondContact O-N 2.93Å; H848-L852 VanDerWaalsContact O-N 3.14Å
849	H	94.9	Very high	93.6	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.579	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-41.3	-176.8	68.8	-89.5	0	0	0	113.2	T851 L852	H849-T851 PolarHBondContact O-N 3.4Å; H849-L852 HydrophobicContact CB-CD1 4.49Å; H849-L852 WeakPolarHBondContact O-CB 3.4Å; H849-L852 PolarHBondContact O-N 2.93Å
850	D	94.6	Very high	94	Very high	82 Å²	82	52.6 Å²	52.6	44%	0.439	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24	174.4	-64.4	-34.4	0	0	0	113.4	H848 T854	H848-D850 VanDerWaalsContact C-N 3.31Å; H848-D850 IonicContact CE1-OD2 2.77Å; H848-D850 PolarHBondContact CE1-OD2 3.04Å; H848-D850 PolarHBondContact ND1-N 3.42Å; H848-D850 IonicContact ND1-OD2 3.58Å; H848-D850 PolarHBondContact O-N 2.93Å; D850-T854 WeakPolarHBondContact O-CG2 3.49Å
851	T	97	Very high	94.4	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.037	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-26.4	178.9	-49.2	0	0	0	0	112.1	D536 G540 I847 H848 H849 R853 T854 Y856	D536-T851 HydrophobicContact CB-CG2 4.38Å; D536-T851 WeakPolarHBondContact O-CB 3.33Å; D536-T851 PolarHBondContact O-OG1 3.11Å; G540-T851 WeakPolarHBondContact CA-OG1 3.32Å; I847-T851 HydrophobicContact CB-CG2 4.17Å; I847-T851 HydrophobicContact CD1-CG2 4.29Å; H848-T851 WeakPolarHBondContact O-CA 3.4Å; H848-T851 VanDerWaalsContact O-CB 3.31Å; H848-T851 WeakPolarHBondContact O-CB 3.5Å; H848-T851 PolarHBondContact O-N 2.81Å; H849-T851 PolarHBondContact O-N 3.4Å; T851-R853 PolarHBondContact O-N 2.89Å; T851-T854 WeakPolarHBondContact O-CB 3.39Å; T851-T854 PolarHBondContact O-N 3.38Å; T851-T854 PolarHBondContact O-OG1 3.11Å; T851-Y856 HydrophobicContact CG2-CD1 3.69Å; T851-Y856 HydrophobicContact CG2-CD2 4.23Å; T851-Y856 HydrophobicContact CG2-CE1 4.45Å; T851-Y856 HydrophobicContact CG2-CG 3.59Å
852	L	94.1	Very high	94.7	Very high	79 Å²	79	53.9 Å²	53.9	41%	0.414	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-34.7	-172.8	-74.5	169.2	0	0	0	113.8	I847 H848 H849	I847-L852 HydrophobicContact CD1-CD2 3.88Å; I847-L852 HydrophobicContact CD1-CG 4.45Å; I847-L852 HydrophobicContact CG1-CD2 3.54Å; I847-L852 HydrophobicContact CG1-CG 4.12Å; H848-L852 PolarHBondContact O-N 2.93Å; H848-L852 VanDerWaalsContact O-N 3.14Å; H849-L852 HydrophobicContact CB-CD1 4.49Å; H849-L852 WeakPolarHBondContact O-CB 3.4Å; H849-L852 PolarHBondContact O-N 2.93Å
853	R	94.3	Very high	95	Very high	145 Å²	145	54.5 Å²	54.5	55%	0.547	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	13.9	-175.6	-57.7	-178.1	-174.3	153.2	11.2	113.8	T851	T851-R853 PolarHBondContact O-N 2.89Å
854	T	96.8	Very high	95.3	Very high	38 Å²	38	47.5 Å²	47.5	23%	0.233	23%	0.232	C	C	.	.	S	Bend	trans	-113.7	157.9	-174	74.2	0	0	0	0	111.6	D850 T851 Y856	D850-T854 WeakPolarHBondContact O-CG2 3.49Å; T851-T854 WeakPolarHBondContact O-CB 3.39Å; T851-T854 PolarHBondContact O-N 3.38Å; T851-T854 PolarHBondContact O-OG1 3.11Å; T854-Y856 PolarHBondContact O-N 3.15Å; T854-Y856 PolarHBondContact OG1-N 3.05Å
855	M	98.3	Very high	95.7	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.034	23%	0.229	C	C	.	.			trans	-89.9	51.2	170.3	-69.6	-177.9	75	0	0	111	V568 Y624 V790 Y804 F857 A858	V568-M855 HydrophobicContact CG1-CB 3.53Å; V568-M855 HydrophobicContact CG1-CE 3.97Å; V568-M855 HydrophobicContact CG1-CG 4.05Å; V568-M855 HydrophobicContact CG1-SD 3.47Å; V568-M855 WeakPolarHBondContact CG1-SD 3.47Å; Y624-M855 HydrophobicContact CD2-CE 4.43Å; Y624-M855 PolarHBondContact N-SD 3.48Å; Y624-M855 VanDerWaalsContact N-SD 3.4Å; Y624-M855 WeakPolarHBondContact O-CG 3.48Å; V790-M855 HydrophobicContact CG2-CE 4.25Å; Y804-M855 HydrophobicContact CD2-CE 4.33Å; Y804-M855 HydrophobicContact CE1-CE 4.11Å; Y804-M855 HydrophobicContact CE2-CE 3.88Å; M855-F857 HydrophobicContact CB-CE1 4.31Å; M855-F857 HydrophobicContact CB-CE2 4.39Å; M855-F857 HydrophobicContact CB-CZ 4.04Å; M855-F857 HydrophobicContact CE-CE2 3.91Å; M855-F857 HydrophobicContact CE-CZ 4.04Å; M855-F857 HydrophobicContact CG-CE1 4.33Å; M855-F857 HydrophobicContact CG-CE2 4.44Å; M855-F857 HydrophobicContact CG-CZ 3.83Å; M855-F857 PolarHBondContact O-N 3.32Å; M855-F857 VanDerWaalsContact O-N 3.08Å; M855-A858 HydrophobicContact CB-CB 4.42Å; M855-A858 WeakPolarHBondContact O-CB 3.23Å; M855-A858 PolarHBondContact O-N 2.9Å
856	Y	98.3	Very high	95.8	Very high	11 Å²	11	51.9 Å²	51.9	4%	0.043	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.4	-178.3	72.5	-78.9	0	0	0	113.6	D536 A626 R811 I847 T851 T854 A858	D536-Y856 HydrophobicContact CB-CD2 3.9Å; D536-Y856 HydrophobicContact CB-CE2 4.36Å; D536-Y856 WeakPolarHBondContact OD2-CD2 3.45Å; A626-Y856 HydrophobicContact CB-CE1 4.26Å; R811-Y856 HydrophobicContact CB-CE2 4.4Å; R811-Y856 HydrophobicContact CG-CD2 4.12Å; R811-Y856 HydrophobicContact CG-CE2 3.63Å; R811-Y856 PolarHBondContact NH1-O 3.26Å; R811-Y856 PolarHBondContact NH2-O 3.18Å; I847-Y856 HydrophobicContact CD1-CD1 4.26Å; I847-Y856 HydrophobicContact CD1-CE1 3.63Å; I847-Y856 HydrophobicContact CG2-CE1 4.24Å; I847-Y856 HydrophobicContact CG2-CE2 3.97Å; T851-Y856 HydrophobicContact CG2-CD1 3.69Å; T851-Y856 HydrophobicContact CG2-CD2 4.23Å; T851-Y856 HydrophobicContact CG2-CE1 4.45Å; T851-Y856 HydrophobicContact CG2-CG 3.59Å; T854-Y856 PolarHBondContact O-N 3.15Å; T854-Y856 PolarHBondContact OG1-N 3.05Å; Y856-A858 PolarHBondContact O-N 3.28Å
857	F	97.8	Very high	96	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.2	178	52.3	-94.5	0	0	0	113.8	A626 Y804 L807 V808 R811 M855	A626-F857 HydrophobicContact CB-CD1 3.96Å; A626-F857 HydrophobicContact CB-CE1 3.7Å; Y804-F857 HydrophobicContact CD1-CD2 4.29Å; Y804-F857 AromaticContact CD1-CE2 3.78Å; Y804-F857 HydrophobicContact CD1-CE2 3.78Å; Y804-F857 HydrophobicContact CD2-CE2 4.42Å; Y804-F857 AromaticContact CG-CE2 3.72Å; Y804-F857 HydrophobicContact CG-CE2 3.72Å; L807-F857 HydrophobicContact CB-CB 4.27Å; L807-F857 HydrophobicContact CB-CD2 4.39Å; V808-F857 HydrophobicContact CG2-CB 3.78Å; V808-F857 HydrophobicContact CG2-CD1 3.43Å; V808-F857 VanDerWaalsContact CG2-CD1 3.43Å; V808-F857 HydrophobicContact CG2-CD2 4.15Å; V808-F857 HydrophobicContact CG2-CE1 4.01Å; V808-F857 HydrophobicContact CG2-CG 3.51Å; R811-F857 PolarHBondContact NH2-O 3.35Å; M855-F857 HydrophobicContact CB-CE1 4.31Å; M855-F857 HydrophobicContact CB-CE2 4.39Å; M855-F857 HydrophobicContact CB-CZ 4.04Å; M855-F857 HydrophobicContact CE-CE2 3.91Å; M855-F857 HydrophobicContact CE-CZ 4.04Å; M855-F857 HydrophobicContact CG-CE1 4.33Å; M855-F857 HydrophobicContact CG-CE2 4.44Å; M855-F857 HydrophobicContact CG-CZ 3.83Å; M855-F857 PolarHBondContact O-N 3.32Å; M855-F857 VanDerWaalsContact O-N 3.08Å
858	A	93.2	Very high	96.1	Very high	1 Å²	1	48 Å²	48	1%	0.008	23%	0.226	C	C	.	.			trans	-64.7	0	-175.7	0	0	0	0	0	115.9	K565 V568 K569 R791 M855 Y856	K565-A858 PolarHBondContact NZ-O 3.4Å; K565-A858 PolarHBondContact NZ-OXT 3.36Å; V568-A858 HydrophobicContact CG1-CB 4.12Å; K569-A858 WeakPolarHBondContact CE-O 3.46Å; K569-A858 HydrophobicContact CG-CB 4.45Å; K569-A858 PolarHBondContact NZ-O 2.99Å; R791-A858 WeakPolarHBondContact CD-OXT 3.06Å; R791-A858 WeakPolarHBondContact CG-OXT 3.36Å; R791-A858 PolarHBondContact NE-OXT 2.87Å; M855-A858 HydrophobicContact CB-CB 4.42Å; M855-A858 WeakPolarHBondContact O-CB 3.23Å; M855-A858 PolarHBondContact O-N 2.9Å; Y856-A858 PolarHBondContact O-N 3.28Å

Retrieved 858 of 858 residues in 1549.9 ms (Link to these results)

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