A0A077ZBC3_TRITR Loading...

SH2B adapter protein 2

AlphaFold DB , UniProt , Accession A0A077ZBC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 936 aa.

						>A0A077ZBC3_TRITR|A0A077ZBC3
MDPELTTEHQFDAVSAMNSQTPPVVLRVKRKAGIGANSSLVMVPKKCRRSGEGDGPTSFVADLVHSGSRSSPAELVTSLKRALPSQVLDDLATSSKRLRVIDLEMSDNFPSSLKVTGNEYLLLDKAVLTSPLAVDTPDGENSVHELISQFGAMEAFNELESFVSEDTSGASANARSPITMNGVPLLRSSCVDNYDYYVADACDESFLNWDMMTDDINEMFAFEMVGKPGSFVDDWSSCGDEDDSEDSNAENYFRNDYPDEESEDDADVSGSSSDASLQRPKESNFRLRTSVMLSVNVGSLRRGKDSAKSSSVAWEEFCDSCAKFAAYDFAQSWHNYLAENPTAIDKVSEQEVASKFVDAFVRYFENEARRICRTSRLLNDSVVSNGSHSLFTSESALCRNGGARAQYVNSLCSSETDSDCSNSNLSHEFSLKKKRGLFSRLSYKSVKRSLFKKPSLEESVFPDSCKSERPLSKQRNRSKTCAKTVVEIIHEGSVNFICGRELDREKWEKGRMVLVKTVGGYLLEFYAPPKASKPKNGIFCFLITEVRETTALETPDCDNTFVLKAMSAFLAENLKEYIVQAKSRREMREWLSAISSCTDDSLGASTGADSSERLNMIGSASAKSEGAFRCGDFHSLPLRGGLFTSRRSYLFSQYSSVCAGSSATRKAHMRLSSIFAAREFPVRSSGNHLFSSSQLRRSYSSSQASNPTTSVRHHLRSSGSALLNGLRGLQMSAGALHDTSTCPFGNLFGTYAGRWLVISGIRRMLEKYPWFHGNLSRNDATTLVIQSGVEGHGLFLVRQSETRSGEYVLTFSCFGRAKHLRMTVLGRGQCRVQHLWFDSVFDMLEHFRTHHIPLQTNAREGPSSNGGVLLTDYVIAWPPNQPHQRTTPADPRNYMTHGGSVRMTAHSLEQLAIEQGQPQQQQTIWQGRAENTYQFT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	31	Very low	230 Å²	230	158.8 Å²	158.8	100%	1.133	81%	0.807	S	S	*	*				0	65.3	0	-71.3	-68.1	-176	0	0	105.7
2	D	33.8	Very low	30.7	Very low	155 Å²	155	158.5 Å²	158.5	83%	0.829	81%	0.809	S	S	*	*			trans	-90.3	119.9	-177.3	-69.8	-46.7	0	0	0	107.4	E4	D2-E4 PolarHBondContact O-N 3.17Å
3	P	37.8	Very low	30.7	Very low	112 Å²	112	151.1 Å²	151.1	73%	0.727	79%	0.786	S	S	*	*			trans	-71.5	122.4	-175.2	28.4	-30.7	0	0	0	108.7	L5	P3-L5 PolarHBondContact O-N 3.11Å
4	E	35.6	Very low	31	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	77%	0.77	S	S	*	*			trans	-53.2	110.3	170.9	-69.9	175.1	148.3	0	0	109.4	D2 T6	D2-E4 PolarHBondContact O-N 3.17Å; E4-T6 PolarHBondContact O-N 3.48Å
5	L	32.4	Very low	31.2	Very low	160 Å²	160	143.8 Å²	143.8	84%	0.838	77%	0.766	S	S	*	*			trans	-69.2	79.7	163.4	-89.8	141.7	0	0	0	108	P3 T7	P3-L5 PolarHBondContact O-N 3.11Å; L5-T7 PolarHBondContact O-N 3.08Å
6	T	31.1	Very low	31.5	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.693	74%	0.741	S	S	*	*			trans	-67.9	87.1	159.5	51.4	0	0	0	0	107.1	E4 E8	E4-T6 PolarHBondContact O-N 3.48Å; T6-E8 PolarHBondContact O-N 3.22Å
7	T	28.3	Very low	31.7	Very low	105 Å²	105	138.7 Å²	138.7	64%	0.644	74%	0.742	S	S	*	*			trans	-71.2	89.1	165.3	28.2	0	0	0	0	106.6	L5 H9	L5-T7 PolarHBondContact O-N 3.08Å; T7-H9 VanDerWaalsContact C-N 3.27Å; T7-H9 PolarHBondContact O-N 2.95Å
8	E	25.9	Very low	32.1	Very low	179 Å²	179	140 Å²	140	84%	0.836	75%	0.749	S	S	*	*			trans	-58	99.2	160.1	-72.1	-172.6	156.9	0	0	106.5	T6 Q10	T6-E8 PolarHBondContact O-N 3.22Å; E8-Q10 PolarHBondContact O-N 3.34Å
9	H	27.2	Very low	32.6	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.718	74%	0.736	S	S	*	*			trans	-61.6	97	166.1	-88.5	-78.3	0	0	0	106.9	T7 F11	T7-H9 VanDerWaalsContact C-N 3.27Å; T7-H9 PolarHBondContact O-N 2.95Å; H9-F11 VanDerWaalsContact C-N 3.34Å; H9-F11 VanDerWaalsContact O-CD2 3.25Å; H9-F11 WeakPolarHBondContact O-CD2 3.38Å; H9-F11 PolarHBondContact O-N 3.29Å
10	Q	24.1	Very low	33.5	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	75%	0.747	S	S	*	*			trans	-63.3	98.7	170.7	-158.6	171	23	0	0	106.2	E8 D12	E8-Q10 PolarHBondContact O-N 3.34Å; Q10-D12 PolarHBondContact O-N 3.04Å; Q10-D12 VanDerWaalsContact O-N 3.14Å
11	F	29	Very low	34.6	Very low	185 Å²	185	136.2 Å²	136.2	81%	0.811	73%	0.73	S	S	*	*			trans	-62.6	113.3	174.3	-78.2	-93.5	0	0	0	107.3	H9 A13	H9-F11 VanDerWaalsContact C-N 3.34Å; H9-F11 VanDerWaalsContact O-CD2 3.25Å; H9-F11 WeakPolarHBondContact O-CD2 3.38Å; H9-F11 PolarHBondContact O-N 3.29Å; F11-A13 VanDerWaalsContact C-N 3.32Å; F11-A13 PolarHBondContact O-N 3.35Å
12	D	27.4	Very low	35.9	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	69%	0.685	S	S	*	*			trans	-61.6	97.6	171.1	-80.5	-37.1	0	0	0	108	Q10 V14	Q10-D12 PolarHBondContact O-N 3.04Å; Q10-D12 VanDerWaalsContact O-N 3.14Å; D12-V14 PolarHBondContact O-N 3.34Å
13	A	30.3	Very low	37.6	Very low	62 Å²	62	120 Å²	120	51%	0.512	65%	0.651	S	S	.	*			trans	-53	123.5	172.8	0	0	0	0	0	108.3	F11 S15	F11-A13 VanDerWaalsContact C-N 3.32Å; F11-A13 PolarHBondContact O-N 3.35Å; A13-S15 PolarHBondContact O-N 2.8Å
14	V	35.3	Very low	39	Very low	92 Å²	92	114.9 Å²	114.9	56%	0.558	62%	0.617	S	S	*	*			trans	-48.9	111.1	178.1	175.7	0	0	0	0	108.5	D12 A16	D12-V14 PolarHBondContact O-N 3.34Å; V14-A16 PolarHBondContact O-N 3.01Å
15	S	34.6	Very low	40.8	Very low	101 Å²	101	106.6 Å²	106.6	71%	0.706	58%	0.579	S	S	*	*			trans	-66.3	83.4	174.7	-174.6	0	0	0	0	108.5	A13 M17	A13-S15 PolarHBondContact O-N 2.8Å; S15-M17 PolarHBondContact O-N 2.96Å
16	A	36	Very low	42.7	Very low	44 Å²	44	99.1 Å²	99.1	36%	0.364	54%	0.539	S	S	.	.			trans	-75.1	37.1	179.5	0	0	0	0	0	112	V14 N18	V14-A16 PolarHBondContact O-N 3.01Å; A16-N18 PolarHBondContact O-N 3.07Å
17	M	33.4	Very low	44.9	Very low	157 Å²	157	95.1 Å²	95.1	77%	0.773	51%	0.512	S	S	*	.			trans	-88.1	106.5	179	-70.1	-91.6	164.7	0	0	108.4	S15	S15-M17 PolarHBondContact O-N 2.96Å
18	N	39.6	Very low	47.1	Very low	162 Å²	162	90.2 Å²	90.2	87%	0.866	48%	0.481	S	S	*	.	S	Bend	trans	85.3	10	161.6	-67.6	-25.7	0	0	0	121.8	A16 Q20	A16-N18 PolarHBondContact O-N 3.07Å; N18-Q20 PolarHBondContact O-N 3.15Å
19	S	41.9	Very low	49.6	Very low	70 Å²	70	84.1 Å²	84.1	49%	0.49	45%	0.452	S	S	.	.			trans	-78	118.8	165.7	71	0	0	0	0	110.3	T21	S19-T21 WeakPolarHBondContact CB-OG1 3.35Å; S19-T21 PolarHBondContact O-N 3.3Å; S19-T21 PolarHBondContact OG-O 3.05Å; S19-T21 PolarHBondContact OG-OG1 3.09Å
20	Q	50.6	Low	51.7	Low	207 Å²	207	77.3 Å²	77.3	97%	0.967	42%	0.42	S	S	*	.	S	Bend	trans	-59.8	-9.2	171.6	-78.8	-178.1	-4.7	0	0	113.5	N18	N18-Q20 PolarHBondContact O-N 3.15Å
21	T	56.9	Low	53.9	Low	64 Å²	64	73.3 Å²	73.3	39%	0.393	40%	0.4	S	S	.	.	S	Bend	trans	-88.1	130.5	177.1	48.9	0	0	0	0	111	S19	S19-T21 WeakPolarHBondContact CB-OG1 3.35Å; S19-T21 PolarHBondContact O-N 3.3Å; S19-T21 PolarHBondContact OG-O 3.05Å; S19-T21 PolarHBondContact OG-OG1 3.09Å
22	P	63.2	Low	55.9	Low	29 Å²	29	66 Å²	66	19%	0.188	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-65.2	144.6	175.2	27.8	-33	0	0	0	110.5	R97 Y120	P22-R97 HydrophobicContact CB-CB 4.3Å; P22-R97 WeakPolarHBondContact CB-O 3.28Å; P22-Y120 HydrophobicContact CG-CE1 4.11Å
23	P	68.2	Low	57.8	Low	16 Å²	16	61.7 Å²	61.7	10%	0.104	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-59.7	151.8	173.1	20.9	-27.9	0	0	0	111.4	L91 S95 L98 R99 C202	P23-L91 HydrophobicContact CB-CD2 3.83Å; P23-L91 HydrophobicContact CG-CD2 3.47Å; P23-L91 VanDerWaalsContact CG-CD2 3.47Å; P23-S95 VanDerWaalsContact CD-CB 3.48Å; P23-S95 WeakPolarHBondContact CD-OG 3.31Å; P23-L98 HydrophobicContact CB-CD1 3.95Å; P23-L98 HydrophobicContact CG-CD1 3.83Å; P23-L98 WeakPolarHBondContact O-CD1 3.24Å; P23-R99 PolarHBondContact O-N 3.45Å; P23-C202 CarbonylContact C-O 3.59Å; P23-C202 WeakPolarHBondContact CA-O 3.18Å
24	V	68.7	Low	59.3	Low	3 Å²	3	61.3 Å²	61.3	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.1	-178.4	-175.3	0	0	0	0	109.6	L26 R99 I101 C202 E204 L207	V24-L26 HydrophobicContact CG1-CD2 4.07Å; V24-L26 HydrophobicContact CG1-CG 4.46Å; V24-R99 CarbonylContact C-O 3.39Å; V24-R99 VanDerWaalsContact CA-O 3.29Å; V24-R99 WeakPolarHBondContact CA-O 3.5Å; V24-R99 HydrophobicContact CG2-CB 4.33Å; V24-I101 HydrophobicContact CG1-CD1 3.95Å; V24-I101 HydrophobicContact CG1-CG1 4.25Å; V24-C202 PolarHBondContact N-O 3.06Å; V24-C202 PolarHBondContact O-N 2.79Å; V24-E204 HydrophobicContact CG2-CB 4.38Å; V24-E204 HydrophobicContact CG2-CG 3.69Å; V24-E204 WeakPolarHBondContact CG2-OE1 3.37Å; V24-L207 HydrophobicContact CG1-CD1 4.18Å; V24-L207 HydrophobicContact CG1-CD2 4.49Å; V24-L207 HydrophobicContact CG1-CG 4.47Å; V24-L207 HydrophobicContact CG2-CD1 4.4Å
25	V	73.7	Confident	60.2	Low	1 Å²	1	59.7 Å²	59.7	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.5	169.9	167.2	0	0	0	0	109.2	L79 L98 R99 V100 I101 V198 A201	V25-L79 HydrophobicContact CG1-CD2 3.84Å; V25-L98 HydrophobicContact CB-CD1 4.5Å; V25-L98 HydrophobicContact CB-CD2 4.2Å; V25-L98 HydrophobicContact CG2-CD1 3.81Å; V25-L98 HydrophobicContact CG2-CD2 3.91Å; V25-L98 HydrophobicContact CG2-CG 4.24Å; V25-R99 PolarHBondContact N-O 3.47Å; V25-V100 WeakPolarHBondContact O-CA 3.12Å; V25-I101 PolarHBondContact O-N 2.84Å; V25-V198 HydrophobicContact CG1-CG1 3.62Å; V25-A201 HydrophobicContact CG2-CB 3.65Å
26	L	72.4	Confident	61	Low	3 Å²	3	56.9 Å²	56.9	2%	0.016	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.2	-178.8	-61.3	176.7	0	0	0	109.7	V24 I101 M180 V198 A199 F206 L207	V24-L26 HydrophobicContact CG1-CD2 4.07Å; V24-L26 HydrophobicContact CG1-CG 4.46Å; L26-I101 HydrophobicContact CD2-CB 3.59Å; L26-I101 HydrophobicContact CD2-CD1 4Å; L26-I101 HydrophobicContact CD2-CG1 4.1Å; L26-I101 HydrophobicContact CD2-CG2 4.31Å; L26-M180 HydrophobicContact CB-CE 3.66Å; L26-M180 HydrophobicContact CD1-CE 3.12Å; L26-M180 HydrophobicContact CD1-SD 3.97Å; L26-M180 HydrophobicContact CG-CE 3.96Å; L26-V198 CarbonylContact O-C 3.55Å; L26-V198 WeakPolarHBondContact O-CA 3.32Å; L26-A199 HydrophobicContact CB-CB 3.92Å; L26-A199 PolarHBondContact O-N 2.88Å; L26-F206 HydrophobicContact CD1-CD1 3.81Å; L26-F206 HydrophobicContact CD1-CE1 3.49Å; L26-F206 VanDerWaalsContact CD1-CE1 3.49Å; L26-L207 HydrophobicContact CD1-CD2 4.05Å; L26-L207 HydrophobicContact CD2-CD2 4.09Å
27	R	76	Confident	61.7	Low	28 Å²	28	57.9 Å²	57.9	11%	0.106	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.7	177.9	-175.9	171	62.5	172.8	-3.4	109.7	S70 I101 D102 L103 Y196 Y197 V198	R27-S70 PolarHBondContact NH2-OG 2.79Å; R27-I101 PolarHBondContact N-O 3.05Å; R27-D102 WeakPolarHBondContact CB-OD1 3.17Å; R27-D102 IonicContact CZ-OD1 2.63Å; R27-D102 IonicContact CZ-OD2 3.17Å; R27-D102 IonicContact NE-OD1 2.98Å; R27-D102 PolarHBondContact NE-OD1 2.64Å; R27-D102 IonicContact NH2-OD1 3.61Å; R27-D102 PolarHBondContact NH2-OD1 2.87Å; R27-D102 IonicContact NH2-OD2 2.74Å; R27-D102 PolarHBondContact NH2-OD2 3.43Å; R27-D102 CarbonylContact O-C 3.51Å; R27-D102 WeakPolarHBondContact O-CA 3.38Å; R27-L103 PolarHBondContact O-N 2.87Å; R27-Y196 HydrophobicContact CG-CD1 4.43Å; R27-Y197 CarbonylContact C-O 3.57Å; R27-Y197 VanDerWaalsContact CA-O 3.28Å; R27-Y197 WeakPolarHBondContact CA-O 3.45Å; R27-V198 HydrophobicContact CG-CG2 4.36Å
28	V	74.5	Confident	62.6	Low	2 Å²	2	53.5 Å²	53.5	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.3	-177.9	-174.7	0	0	0	0	110	L40 L103 L113 L185 Y196 Y197	V28-L40 HydrophobicContact CG1-CD1 4.26Å; V28-L103 CarbonylContact C-O 3.46Å; V28-L103 VanDerWaalsContact CA-O 3.27Å; V28-L103 WeakPolarHBondContact CA-O 3.33Å; V28-L103 HydrophobicContact CG2-CB 4.16Å; V28-L103 HydrophobicContact CG2-CD1 4.09Å; V28-L113 HydrophobicContact CG1-CD2 3.87Å; V28-L185 HydrophobicContact CG2-CD1 4.06Å; V28-Y196 CarbonylContact O-C 3.56Å; V28-Y196 WeakPolarHBondContact O-CA 3.29Å; V28-Y197 PolarHBondContact N-O 3.47Å; V28-Y197 PolarHBondContact O-N 3.48Å
29	K	78.1	Confident	63.4	Low	52 Å²	52	48.6 Å²	48.6	23%	0.226	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.1	171.6	-176.8	-173.7	173.9	-151.2	0	110	L103 E104 M105 Y194 Y196	K29-L103 PolarHBondContact N-O 2.91Å; K29-E104 HydrophobicContact CD-CG 4.38Å; K29-E104 WeakPolarHBondContact CD-OE1 3.36Å; K29-E104 IonicContact NZ-OE1 3.26Å; K29-E104 PolarHBondContact NZ-OE1 3.33Å; K29-E104 WeakPolarHBondContact O-CA 3.49Å; K29-M105 PolarHBondContact O-N 2.91Å; K29-Y194 HydrophobicContact CD-CD1 4.35Å; K29-Y194 HydrophobicContact CG-CD1 3.97Å; K29-Y194 HydrophobicContact CG-CG 4.29Å; K29-Y196 HydrophobicContact CB-CD1 4.17Å; K29-Y196 HydrophobicContact CB-CE1 3.94Å; K29-Y196 HydrophobicContact CD-CE1 4.01Å; K29-Y196 HydrophobicContact CG-CD1 4.34Å; K29-Y196 HydrophobicContact CG-CE1 3.8Å; K29-Y196 HydrophobicContact CG-CE2 4.38Å
30	R	71.6	Confident	64.3	Low	11 Å²	11	45.6 Å²	45.6	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144.4	-175	-176.7	-176.2	-169.5	-142.3	-2.5	110.9	A32 I34 G35 M105 Y194 D195	R30-A32 PolarHBondContact O-N 3.22Å; R30-I34 PolarHBondContact NH1-O 2.98Å; R30-I34 PolarHBondContact NH2-O 2.9Å; R30-G35 PolarHBondContact NH2-O 3.13Å; R30-M105 HydrophobicContact CB-CB 4.48Å; R30-M105 HydrophobicContact CG-CB 4.39Å; R30-M105 HydrophobicContact CG-SD 3.92Å; R30-Y194 VanDerWaalsContact C-CD1 3.47Å; R30-Y194 CarbonylContact O-C 3.57Å; R30-Y194 WeakPolarHBondContact O-CA 3.43Å; R30-Y194 WeakPolarHBondContact O-CB 3.32Å; R30-Y194 WeakPolarHBondContact O-CD1 3.39Å; R30-D195 PolarHBondContact N-O 2.87Å; R30-D195 PolarHBondContact O-N 2.8Å
31	K	71.5	Confident	64.5	Low	95 Å²	95	40.5 Å²	40.5	41%	0.413	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.2	172.8	-168	175.4	-174.8	171.7	0	111.3	I34 N193 Y194	K31-I34 HydrophobicContact CB-CD1 3.79Å; K31-I34 HydrophobicContact CB-CG1 4.3Å; K31-N193 CarbonylContact C-O 3.53Å; K31-N193 WeakPolarHBondContact CA-O 3.44Å; K31-Y194 HydrophobicContact CB-CD1 4.24Å; K31-Y194 HydrophobicContact CB-CE1 4.01Å
32	A	70.8	Confident	64.2	Low	31 Å²	31	40 Å²	40	26%	0.256	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	144	179.3	0	0	0	0	0	111	R30 I34 N193 D195	R30-A32 PolarHBondContact O-N 3.22Å; A32-I34 VanDerWaalsContact C-N 3.34Å; A32-I34 PolarHBondContact O-N 3.43Å; A32-N193 VanDerWaalsContact CB-O 3.31Å; A32-N193 WeakPolarHBondContact CB-O 3.45Å; A32-N193 PolarHBondContact N-O 2.78Å; A32-D195 WeakPolarHBondContact CA-OD2 3.42Å
33	G	66.7	Low	63.3	Low	65 Å²	65	42.1 Å²	42.1	67%	0.67	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-9.7	177.3	0	0	0	0	0	116	G35	G33-G35 PolarHBondContact O-N 3.32Å
34	I	61.9	Low	61.9	Low	55 Å²	55	42.9 Å²	42.9	28%	0.282	27%	0.274	S	S	.	.			trans	-66.3	125.5	170	-56.2	179.1	0	0	0	108.2	R30 K31 A32 A36	R30-I34 PolarHBondContact NH1-O 2.98Å; R30-I34 PolarHBondContact NH2-O 2.9Å; K31-I34 HydrophobicContact CB-CD1 3.79Å; K31-I34 HydrophobicContact CB-CG1 4.3Å; A32-I34 VanDerWaalsContact C-N 3.34Å; A32-I34 PolarHBondContact O-N 3.43Å; I34-A36 PolarHBondContact O-N 2.63Å
35	G	55.1	Low	60.2	Low	58 Å²	58	48 Å²	48	60%	0.598	30%	0.296	S	S	*	.			trans	-52.7	138	179.6	0	0	0	0	0	111.7	R30 G33 N37	R30-G35 PolarHBondContact NH2-O 3.13Å; G33-G35 PolarHBondContact O-N 3.32Å; G35-N37 PolarHBondContact O-N 3.47Å
36	A	49.5	Very low	58.3	Low	41 Å²	41	56.5 Å²	56.5	34%	0.339	33%	0.333	S	S	.	.			trans	-59.9	109.1	-173	0	0	0	0	0	110.8	I34 S38 I178	I34-A36 PolarHBondContact O-N 2.63Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 2.98Å; A36-I178 HydrophobicContact CB-CG1 4.37Å
37	N	51.8	Low	56.4	Low	66 Å²	66	58.9 Å²	58.9	35%	0.353	35%	0.349	S	S	.	.			trans	-66.7	104.3	148.8	-77.7	-12.7	0	0	0	104.2	G35 S39 P110	G35-N37 PolarHBondContact O-N 3.47Å; N37-S39 PolarHBondContact O-N 2.76Å; N37-S39 VanDerWaalsContact O-N 3.12Å; N37-P110 PolarHBondContact ND2-O 3.36Å
38	S	51.7	Low	54.1	Low	64 Å²	64	66.2 Å²	66.2	45%	0.448	38%	0.377	S	S	.	.	S	Bend	trans	-64.9	-13.6	-173	52.5	0	0	0	0	113	A36 T179	A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 2.98Å; S38-T179 PolarHBondContact O-N 2.97Å; S38-T179 PolarHBondContact O-OG1 2.89Å
39	S	57.4	Low	52.2	Low	59 Å²	59	73.8 Å²	73.8	41%	0.413	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	126.6	176.3	-153.5	0	0	0	0	113.1	N37 T179	N37-S39 PolarHBondContact O-N 2.76Å; N37-S39 VanDerWaalsContact O-N 3.12Å; S39-T179 CarbonylContact C-O 3.49Å; S39-T179 WeakPolarHBondContact CA-O 3.43Å; S39-T179 WeakPolarHBondContact CA-OG1 3.23Å; S39-T179 WeakPolarHBondContact CB-OG1 3.46Å; S39-T179 PolarHBondContact OG-OG1 3.01Å
40	L	60.9	Low	50.1	Low	7 Å²	7	76.9 Å²	76.9	4%	0.037	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.9	169.2	-73.8	169.3	0	0	0	109	V28 M105 L113 I178 T179 M180 N181 L185	V28-L40 HydrophobicContact CG1-CD1 4.26Å; L40-M105 HydrophobicContact CD1-CE 4.24Å; L40-M105 HydrophobicContact CD2-CE 3.17Å; L40-M105 HydrophobicContact CG-CE 4.13Å; L40-L113 HydrophobicContact CB-CD1 4.27Å; L40-L113 HydrophobicContact CD1-CD1 4.32Å; L40-L113 HydrophobicContact CD1-CD2 4.3Å; L40-L113 HydrophobicContact CD2-CD1 4.05Å; L40-L113 HydrophobicContact CD2-CD2 4.22Å; L40-L113 HydrophobicContact CD2-CG 4.16Å; L40-L113 HydrophobicContact CG-CD1 4.45Å; L40-I178 HydrophobicContact CD1-CG2 4.14Å; L40-T179 WeakPolarHBondContact CB-O 3.2Å; L40-T179 PolarHBondContact N-O 2.85Å; L40-M180 HydrophobicContact CB-CB 4.19Å; L40-M180 HydrophobicContact CB-CG 4.23Å; L40-M180 CarbonylContact O-C 3.53Å; L40-M180 VanDerWaalsContact O-CA 3.24Å; L40-M180 WeakPolarHBondContact O-CA 3.49Å; L40-N181 PolarHBondContact O-N 3.05Å; L40-L185 HydrophobicContact CD1-CD1 4.14Å
41	V	54	Low	48.3	Very low	101 Å²	101	79.7 Å²	79.7	61%	0.612	47%	0.466	S	S	*	.			trans	-116.9	117.8	174.8	-171.3	0	0	0	0	109.1	V43 N181	V41-V43 HydrophobicContact CG1-CG2 3.68Å; V41-N181 WeakPolarHBondContact CA-OD1 3.31Å
42	M	51.1	Low	46.4	Very low	53 Å²	53	85 Å²	85	26%	0.261	49%	0.492	S	S	.	.			trans	-89.5	119.5	174	-82.4	-92.4	-74.2	0	0	109	L103 L113 M180 N181	M42-L103 HydrophobicContact CE-CD1 4.24Å; M42-L103 HydrophobicContact CE-CD2 4.32Å; M42-L103 HydrophobicContact SD-CD1 4.14Å; M42-L103 HydrophobicContact SD-CD2 4.34Å; M42-L113 HydrophobicContact CG-CD1 3.96Å; M42-L113 HydrophobicContact SD-CD1 4.02Å; M42-M180 HydrophobicContact CG-CG 4.39Å; M42-M180 HydrophobicContact CG-SD 3.91Å; M42-N181 PolarHBondContact N-OD1 2.91Å
43	V	43.8	Very low	44.6	Very low	74 Å²	74	86.8 Å²	86.8	45%	0.448	51%	0.514	S	S	.	.			trans	-132.8	136.4	-179.6	-169.5	0	0	0	0	109.8	V41 K45 C47 M212	V41-V43 HydrophobicContact CG1-CG2 3.68Å; V43-K45 PolarHBondContact O-N 2.96Å; V43-C47 HydrophobicContact CG1-CB 3.64Å; V43-M212 HydrophobicContact CG1-CE 4.18Å; V43-M212 HydrophobicContact CG1-SD 4.1Å
44	P	38.3	Very low	42.6	Very low	32 Å²	32	92.4 Å²	92.4	21%	0.208	53%	0.529	C	S	.	.			trans	-53.7	134.3	169.6	-23.6	32.1	0	0	0	111.5	K46 C47 M212	P44-K46 PolarHBondContact O-N 3.42Å; P44-C47 PolarHBondContact O-N 2.8Å; P44-M212 HydrophobicContact CG-CE 4.49Å; P44-M212 HydrophobicContact CG-SD 4.1Å
45	K	34.1	Very low	40.9	Very low	110 Å²	110	92.8 Å²	92.8	48%	0.478	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-56.9	-19.8	-171.6	-135.2	-170.9	-174.2	-159.1	0	114.7	V43 C47 R48 F59 V60	V43-K45 PolarHBondContact O-N 2.96Å; K45-C47 VanDerWaalsContact C-N 3.26Å; K45-C47 PolarHBondContact O-N 3.33Å; K45-R48 PolarHBondContact O-N 2.72Å; K45-F59 VanDerWaalsContact NZ-CB 3.32Å; K45-V60 HydrophobicContact CB-CG2 4.38Å; K45-V60 HydrophobicContact CD-CG2 3.84Å
46	K	32.7	Very low	39.6	Very low	179 Å²	179	95.5 Å²	95.5	78%	0.778	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-72.2	-13.8	178.5	-71.9	-175.5	-179.5	173.2	0	114.3	P44 I216	P44-K46 PolarHBondContact O-N 3.42Å; K46-I216 HydrophobicContact CB-CD1 4.18Å
47	C	32.7	Very low	38.3	Very low	53 Å²	53	98.7 Å²	98.7	36%	0.358	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-88.1	-3.1	177.1	-68.2	0	0	0	0	114.4	V43 P44 K45 R49 M212	V43-C47 HydrophobicContact CG1-CB 3.64Å; P44-C47 PolarHBondContact O-N 2.8Å; K45-C47 VanDerWaalsContact C-N 3.26Å; K45-C47 PolarHBondContact O-N 3.33Å; C47-R49 PolarHBondContact O-N 2.88Å; C47-R49 VanDerWaalsContact O-N 3.11Å; C47-M212 HydrophobicContact CB-SD 4.34Å; C47-M212 PolarHBondContact SG-SD 3.05Å
48	R	28.9	Very low	36.9	Very low	182 Å²	182	100.2 Å²	100.2	69%	0.687	58%	0.584	S	S	*	*			trans	-81.2	89.5	167.2	-76.2	-169.7	177.3	-172.8	1.3	109.3	K45	K45-R48 PolarHBondContact O-N 2.72Å
49	R	33.2	Very low	35.6	Very low	161 Å²	161	103.5 Å²	103.5	61%	0.608	59%	0.591	S	S	*	*			trans	-72.4	140.4	159.8	-92.4	-174.8	178.6	175.5	1.6	109.6	C47 G51 M219	C47-R49 PolarHBondContact O-N 2.88Å; C47-R49 VanDerWaalsContact O-N 3.11Å; R49-G51 PolarHBondContact O-N 2.98Å; R49-M219 PolarHBondContact NH2-O 2.69Å
50	S	34.4	Very low	34.1	Very low	118 Å²	118	106.5 Å²	106.5	83%	0.825	61%	0.606	S	S	*	*			trans	-58.4	101.3	-178.2	50	0	0	0	0	113.1
51	G	34.7	Very low	32.2	Very low	69 Å²	69	109.9 Å²	109.9	71%	0.711	64%	0.636	S	S	*	*			trans	-82.2	114.4	145.9	0	0	0	0	0	107.5	R49 G53	R49-G51 PolarHBondContact O-N 2.98Å; G51-G53 PolarHBondContact O-N 3.48Å
52	E	30	Very low	30.6	Very low	206 Å²	206	109.9 Å²	109.9	96%	0.963	63%	0.632	S	S	*	*	S	Bend	trans	2.7	102.3	154.1	-123.5	162.9	170.1	0	0	115.3
53	G	33.4	Very low	29.4	Very low	69 Å²	69	114.2 Å²	114.2	71%	0.711	66%	0.655	S	S	*	*			trans	171.4	91	-179.3	0	0	0	0	0	112.1	G51 G55	G51-G53 PolarHBondContact O-N 3.48Å; G53-G55 PolarHBondContact O-N 2.67Å
54	D	25.7	Very low	28.5	Very low	184 Å²	184	114.9 Å²	114.9	98%	0.984	66%	0.66	S	S	*	*			trans	-50.9	112.9	171.1	-127	-10.8	0	0	0	111.1
55	G	26.3	Very low	27.9	Very low	63 Å²	63	121.7 Å²	121.7	65%	0.649	69%	0.688	S	S	*	*			trans	164.1	153.5	176.7	0	0	0	0	0	115.3	G53	G53-G55 PolarHBondContact O-N 2.67Å
56	P	27.2	Very low	27.7	Very low	115 Å²	115	118.8 Å²	118.8	75%	0.747	68%	0.682	S	S	*	*				-92.5	138	-126.6	35	-37.3	0	0	0	117.2
57	T	22.7	Very low	27.8	Very low	108 Å²	108	113.2 Å²	113.2	66%	0.663	68%	0.675	S	S	*	*				58.7	123.1	128.7	65.7	0	0	0	0	122.2
58	S	21	Very low	28.3	Very low	98 Å²	98	116.1 Å²	116.1	69%	0.685	70%	0.696	S	S	*	*			trans	43.4	105.4	141.3	63.3	0	0	0	0	119.8
59	F	25.6	Very low	29	Very low	133 Å²	133	117.4 Å²	117.4	58%	0.583	70%	0.701	S	S	*	*			trans	-133.1	25.8	163.4	-78.5	-96.4	0	0	0	114	K45 K114	K45-F59 VanDerWaalsContact NZ-CB 3.32Å; F59-K114 HydrophobicContact CE1-CD 4.48Å
60	V	24.6	Very low	30	Very low	121 Å²	121	110.3 Å²	110.3	73%	0.733	68%	0.676	S	S	*	*	S	Bend	trans	-108.3	3.9	172.7	-169	0	0	0	0	111.8	K45	K45-V60 HydrophobicContact CB-CG2 4.38Å; K45-V60 HydrophobicContact CD-CG2 3.84Å
61	A	21.1	Very low	31.4	Very low	79 Å²	79	106.9 Å²	106.9	65%	0.653	65%	0.652	S	S	*	*	S	Bend	trans	-88.1	-20.5	175.8	0	0	0	0	0	113.8
62	D	22.3	Very low	32.7	Very low	100 Å²	100	107.9 Å²	107.9	54%	0.535	65%	0.646	S	S	.	*			trans	-107.3	64.8	-178	-77.2	-19.5	0	0	0	112	V64	D62-V64 WeakPolarHBondContact OD1-CG2 3.47Å
63	L	24.9	Very low	34.3	Very low	144 Å²	144	101.1 Å²	101.1	75%	0.754	63%	0.625	S	S	*	*			trans	-82.5	17.7	139	-120.9	89.5	0	0	0	110
64	V	24.1	Very low	35.8	Very low	89 Å²	89	102.8 Å²	102.8	54%	0.539	62%	0.615	S	S	.	*	S	Bend	trans	-68	127.3	166.3	179.1	0	0	0	0	106.3	D62 S66	D62-V64 WeakPolarHBondContact OD1-CG2 3.47Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 2.92Å
65	H	26.6	Very low	37.7	Very low	175 Å²	175	94.3 Å²	94.3	81%	0.81	57%	0.569	S	S	*	*			trans	-56.7	92.1	-178.9	-63	24.9	0	0	0	109.8
66	S	29.1	Very low	39.7	Very low	48 Å²	48	91.6 Å²	91.6	34%	0.336	54%	0.54	S	S	.	.			trans	-118.1	109.6	-178.8	72.4	0	0	0	0	109.6	V64	V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 2.92Å
67	G	35.2	Very low	41.7	Very low	62 Å²	62	87.5 Å²	87.5	64%	0.639	51%	0.513	S	S	*	.	S	Bend	trans	110.6	121.5	163.9	0	0	0	0	0	113.9	R69	G67-R69 PolarHBondContact O-N 3.07Å
68	S	43.6	Very low	43.6	Very low	115 Å²	115	83.1 Å²	83.1	80%	0.804	49%	0.487	S	S	*	.			trans	14.5	97.5	163.9	59.1	0	0	0	0	116.3	S70	S68-S70 PolarHBondContact O-N 2.93Å; S68-S70 VanDerWaalsContact O-N 3.08Å
69	R	43.6	Very low	45.8	Very low	209 Å²	209	78.8 Å²	78.8	79%	0.789	46%	0.456	S	S	*	.			trans	-60	114.2	158	-83.7	-177.6	169.2	-174	-3.8	107.1	G67 S71	G67-R69 PolarHBondContact O-N 3.07Å; R69-S71 PolarHBondContact O-N 3.3Å
70	S	55.1	Low	47.9	Very low	12 Å²	12	75.1 Å²	75.1	8%	0.084	44%	0.44	C	S	.	.			trans	-55.4	139.3	161.4	30.9	0	0	0	0	108	R27 S68 E74 L75 E119	R27-S70 PolarHBondContact NH2-OG 2.79Å; S68-S70 PolarHBondContact O-N 2.93Å; S68-S70 VanDerWaalsContact O-N 3.08Å; S70-E74 WeakPolarHBondContact CA-OE2 3.45Å; S70-E74 WeakPolarHBondContact CB-OE2 3.26Å; S70-L75 WeakPolarHBondContact OG-CD2 3.26Å; S70-L75 VanDerWaalsContact OG-CG 3.29Å; S70-L75 WeakPolarHBondContact OG-CG 3.45Å; S70-E119 PolarHBondContact OG-OE1 3.19Å
71	S	62.1	Low	49.7	Very low	45 Å²	45	75.6 Å²	75.6	32%	0.315	43%	0.428	S	S	.	.			trans	-59.7	147.4	174.7	67.2	0	0	0	0	109.1	R69 A73 E74 L75	R69-S71 PolarHBondContact O-N 3.3Å; S71-A73 PolarHBondContact O-N 2.84Å; S71-E74 WeakPolarHBondContact CB-OE1 3.43Å; S71-E74 PolarHBondContact N-OE2 2.99Å; S71-E74 PolarHBondContact O-N 3.38Å; S71-E74 VanDerWaalsContact OG-CG 3.31Å; S71-E74 WeakPolarHBondContact OG-CG 3.43Å; S71-E74 PolarHBondContact OG-N 3.28Å; S71-E74 PolarHBondContact OG-OE1 2.84Å; S71-L75 PolarHBondContact O-N 2.92Å
72	P	61.8	Low	51.5	Low	91 Å²	91	72.4 Å²	72.4	59%	0.591	40%	0.402	S	S	*	.	H	α-helix	trans	-50.7	-30.6	173.7	-28.8	35.5	0	0	0	112.8	V76 L121	P72-V76 WeakPolarHBondContact O-CB 3.49Å; P72-V76 WeakPolarHBondContact O-CG2 3.14Å; P72-V76 PolarHBondContact O-N 2.78Å; P72-L121 HydrophobicContact CB-CD1 4.09Å
73	A	64.5	Low	53.4	Low	64 Å²	64	68.1 Å²	68.1	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-45.2	175.5	0	0	0	0	0	113.1	S71 L75 V76 T77	S71-A73 PolarHBondContact O-N 2.84Å; A73-L75 VanDerWaalsContact C-N 3.31Å; A73-L75 PolarHBondContact O-N 3.16Å; A73-V76 PolarHBondContact O-N 2.85Å; A73-T77 VanDerWaalsContact O-CB 3.26Å; A73-T77 WeakPolarHBondContact O-CB 3.32Å; A73-T77 PolarHBondContact O-N 3.19Å; A73-T77 PolarHBondContact O-OG1 3.29Å
74	E	65.1	Low	55.1	Low	104 Å²	104	64.8 Å²	64.8	49%	0.486	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-38.5	174.2	-76.5	153.6	-130.1	0	0	112	S70 S71 T77 S78	S70-E74 WeakPolarHBondContact CA-OE2 3.45Å; S70-E74 WeakPolarHBondContact CB-OE2 3.26Å; S71-E74 WeakPolarHBondContact CB-OE1 3.43Å; S71-E74 PolarHBondContact N-OE2 2.99Å; S71-E74 PolarHBondContact O-N 3.38Å; S71-E74 VanDerWaalsContact OG-CG 3.31Å; S71-E74 WeakPolarHBondContact OG-CG 3.43Å; S71-E74 PolarHBondContact OG-N 3.28Å; S71-E74 PolarHBondContact OG-OE1 2.84Å; E74-T77 PolarHBondContact O-N 3.33Å; E74-S78 WeakPolarHBondContact O-CB 3.37Å; E74-S78 PolarHBondContact O-N 2.84Å; E74-S78 PolarHBondContact O-OG 3.42Å
75	L	64.8	Low	57.2	Low	6 Å²	6	64.8 Å²	64.8	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-51.3	176.6	-77.5	162.6	0	0	0	111.4	S70 S71 A73 T77 S78 L79 V100 E119 L121	S70-L75 WeakPolarHBondContact OG-CD2 3.26Å; S70-L75 VanDerWaalsContact OG-CG 3.29Å; S70-L75 WeakPolarHBondContact OG-CG 3.45Å; S71-L75 PolarHBondContact O-N 2.92Å; A73-L75 VanDerWaalsContact C-N 3.31Å; A73-L75 PolarHBondContact O-N 3.16Å; L75-T77 PolarHBondContact O-N 3.39Å; L75-S78 PolarHBondContact O-N 2.87Å; L75-S78 VanDerWaalsContact O-N 3.16Å; L75-L79 WeakPolarHBondContact O-CG 3.37Å; L75-L79 PolarHBondContact O-N 2.66Å; L75-V100 HydrophobicContact CD2-CG1 4.2Å; L75-E119 VanDerWaalsContact CD1-CD 3.4Å; L75-E119 HydrophobicContact CD1-CG 4.28Å; L75-E119 WeakPolarHBondContact CD1-OE1 3.43Å; L75-E119 WeakPolarHBondContact CD2-OE1 3.43Å; L75-L121 HydrophobicContact CB-CD1 4.36Å; L75-L121 HydrophobicContact CB-CD2 4.44Å; L75-L121 HydrophobicContact CD1-CD1 4.4Å
76	V	69.3	Low	59.1	Low	5 Å²	5	63.4 Å²	63.4	3%	0.03	36%	0.364	C	S	.	.	H	α-helix	trans	-58.7	-41.9	176.8	169.8	0	0	0	0	110.4	P72 A73 L79 K80 L121 V127 L128	P72-V76 WeakPolarHBondContact O-CB 3.49Å; P72-V76 WeakPolarHBondContact O-CG2 3.14Å; P72-V76 PolarHBondContact O-N 2.78Å; A73-V76 PolarHBondContact O-N 2.85Å; V76-L79 PolarHBondContact O-N 3.12Å; V76-K80 HydrophobicContact CG1-CD 4.08Å; V76-K80 HydrophobicContact CG1-CG 4.36Å; V76-K80 WeakPolarHBondContact O-CB 3.49Å; V76-K80 VanDerWaalsContact O-CG 3.32Å; V76-K80 WeakPolarHBondContact O-CG 2.98Å; V76-K80 PolarHBondContact O-N 2.71Å; V76-L121 HydrophobicContact CG2-CD1 4.22Å; V76-L121 HydrophobicContact CG2-CD2 3.94Å; V76-V127 HydrophobicContact CG1-CG1 4.21Å; V76-V127 HydrophobicContact CG2-CG1 3.75Å; V76-L128 HydrophobicContact CG1-CD2 4.22Å
77	T	67.9	Low	60.8	Low	30 Å²	30	62.6 Å²	62.6	18%	0.184	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-41.8	177.4	-63.7	0	0	0	0	112.1	A73 E74 L75 R81 L132	A73-T77 VanDerWaalsContact O-CB 3.26Å; A73-T77 WeakPolarHBondContact O-CB 3.32Å; A73-T77 PolarHBondContact O-N 3.19Å; A73-T77 PolarHBondContact O-OG1 3.29Å; E74-T77 PolarHBondContact O-N 3.33Å; L75-T77 PolarHBondContact O-N 3.39Å; T77-R81 PolarHBondContact O-N 3.04Å; T77-R81 VanDerWaalsContact O-N 3.12Å; T77-L132 HydrophobicContact CG2-CD2 3.4Å; T77-L132 VanDerWaalsContact CG2-CD2 3.4Å
78	S	63.6	Low	62.4	Low	16 Å²	16	60.1 Å²	60.1	11%	0.112	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-40	175.8	-61.4	0	0	0	0	112	E74 L75 R81 A82	E74-S78 WeakPolarHBondContact O-CB 3.37Å; E74-S78 PolarHBondContact O-N 2.84Å; E74-S78 PolarHBondContact O-OG 3.42Å; L75-S78 PolarHBondContact O-N 2.87Å; L75-S78 VanDerWaalsContact O-N 3.16Å; S78-R81 PolarHBondContact O-N 2.83Å; S78-A82 WeakPolarHBondContact O-CB 3.39Å; S78-A82 PolarHBondContact O-N 3.34Å
79	L	67.1	Low	63.7	Low	7 Å²	7	58.1 Å²	58.1	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-67.3	-44	176.5	-70.5	171.1	0	0	0	111.6	V25 L75 V76 R81 A82 L83 L88 L98 L121	V25-L79 HydrophobicContact CG1-CD2 3.84Å; L75-L79 WeakPolarHBondContact O-CG 3.37Å; L75-L79 PolarHBondContact O-N 2.66Å; V76-L79 PolarHBondContact O-N 3.12Å; L79-R81 PolarHBondContact O-N 3.16Å; L79-A82 PolarHBondContact O-N 3.05Å; L79-L83 HydrophobicContact CD2-CD1 3.97Å; L79-L83 PolarHBondContact O-N 3Å; L79-L88 HydrophobicContact CB-CD1 4.22Å; L79-L98 HydrophobicContact CD1-CD2 3.74Å; L79-L98 HydrophobicContact CD2-CD2 4.4Å; L79-L121 HydrophobicContact CD1-CD2 3.5Å; L79-L121 VanDerWaalsContact CD1-CD2 3.5Å
80	K	69	Low	64.8	Low	56 Å²	56	52.1 Å²	52.1	24%	0.243	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-32.4	174.3	-78.6	177.2	174.3	-178.5	0	112.9	V76 L88 L128 S130 L132	V76-K80 HydrophobicContact CG1-CD 4.08Å; V76-K80 HydrophobicContact CG1-CG 4.36Å; V76-K80 WeakPolarHBondContact O-CB 3.49Å; V76-K80 VanDerWaalsContact O-CG 3.32Å; V76-K80 WeakPolarHBondContact O-CG 2.98Å; V76-K80 PolarHBondContact O-N 2.71Å; K80-L88 HydrophobicContact CB-CD2 4.47Å; K80-L88 HydrophobicContact CG-CD2 3.63Å; K80-L128 WeakPolarHBondContact CE-O 3.24Å; K80-L128 PolarHBondContact NZ-O 2.77Å; K80-S130 PolarHBondContact NZ-O 2.86Å; K80-L132 HydrophobicContact CD-CD2 4.41Å
81	R	64.2	Low	65.4	Low	130 Å²	130	52.1 Å²	52.1	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-76.7	-25	175.2	-88.2	-171	-100.9	123	-13.4	113.5	T77 S78 L79	T77-R81 PolarHBondContact O-N 3.04Å; T77-R81 VanDerWaalsContact O-N 3.12Å; S78-R81 PolarHBondContact O-N 2.83Å; L79-R81 PolarHBondContact O-N 3.16Å
82	A	57.2	Low	65.8	Low	12 Å²	12	50.3 Å²	50.3	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-104.9	-35.9	-169.3	0	0	0	0	0	114.3	S78 L79 V198	S78-A82 WeakPolarHBondContact O-CB 3.39Å; S78-A82 PolarHBondContact O-N 3.34Å; L79-A82 PolarHBondContact O-N 3.05Å; A82-V198 HydrophobicContact CB-CB 3.81Å; A82-V198 HydrophobicContact CB-CG1 4.11Å; A82-V198 HydrophobicContact CB-CG2 3.87Å
83	L	63.2	Low	66.1	Low	10 Å²	10	50.2 Å²	50.2	5%	0.052	28%	0.277	C	S	.	.	S	Bend	trans	-102.4	140.9	-176.7	-63.5	173.9	0	0	0	110.1	L79 L88 L91	L79-L83 HydrophobicContact CD2-CD1 3.97Å; L79-L83 PolarHBondContact O-N 3Å; L83-L88 HydrophobicContact CD1-CD1 4.34Å; L83-L91 HydrophobicContact CD1-CD1 4.21Å
84	P	61.1	Low	66.1	Low	74 Å²	74	49.7 Å²	49.7	48%	0.481	27%	0.27	S	S	.	.			trans	-53.9	143.5	169.8	-22.8	32.5	0	0	0	111.2	Q86 V87 L88	P84-Q86 PolarHBondContact O-N 3.16Å; P84-Q86 VanDerWaalsContact O-N 3.16Å; P84-V87 HydrophobicContact CB-CG2 4.16Å; P84-V87 HydrophobicContact CG-CG2 4.13Å; P84-V87 PolarHBondContact O-N 2.95Å; P84-L88 PolarHBondContact O-N 2.85Å; P84-L88 VanDerWaalsContact O-N 3.16Å
85	S	67.5	Low	65.8	Low	89 Å²	89	46 Å²	46	62%	0.622	26%	0.256	S	S	*	.	H	α-helix	trans	-56.5	-35.3	-178.6	57.1	0	0	0	0	112.6	L88 D89	S85-L88 PolarHBondContact O-N 3.38Å; S85-D89 WeakPolarHBondContact O-CB 3.49Å; S85-D89 PolarHBondContact O-N 2.75Å
86	Q	65.6	Low	66	Low	146 Å²	146	53 Å²	53	68%	0.682	29%	0.286	S	S	*	.	H	α-helix	trans	-60.2	-48.3	175.8	-68	173.8	-5.4	0	0	112	P84 L88 D89 D90	P84-Q86 PolarHBondContact O-N 3.16Å; P84-Q86 VanDerWaalsContact O-N 3.16Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 2.82Å; Q86-D89 PolarHBondContact O-N 2.97Å; Q86-D90 WeakPolarHBondContact O-CB 3.43Å; Q86-D90 VanDerWaalsContact O-CG 3.26Å; Q86-D90 PolarHBondContact O-N 2.75Å
87	V	65.6	Low	66.1	Low	32 Å²	32	59 Å²	59	19%	0.194	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-40	178.3	178.3	0	0	0	0	110.7	P84 D90 L91	P84-V87 HydrophobicContact CB-CG2 4.16Å; P84-V87 HydrophobicContact CG-CG2 4.13Å; P84-V87 PolarHBondContact O-N 2.95Å; V87-D90 PolarHBondContact O-N 3.21Å; V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.43Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 3.34Å
88	L	67.9	Low	66.3	Low	9 Å²	9	57.6 Å²	57.6	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-69.1	-38.5	180	-160.8	65.7	0	0	0	112.2	L79 K80 L83 P84 S85 Q86 L91 A92 L123 L128	L79-L88 HydrophobicContact CB-CD1 4.22Å; K80-L88 HydrophobicContact CB-CD2 4.47Å; K80-L88 HydrophobicContact CG-CD2 3.63Å; L83-L88 HydrophobicContact CD1-CD1 4.34Å; P84-L88 PolarHBondContact O-N 2.85Å; P84-L88 VanDerWaalsContact O-N 3.16Å; S85-L88 PolarHBondContact O-N 3.38Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 2.82Å; L88-L91 PolarHBondContact O-N 3.49Å; L88-A92 WeakPolarHBondContact O-CB 3.25Å; L88-A92 PolarHBondContact O-N 2.92Å; L88-L123 HydrophobicContact CD1-CD2 3.99Å; L88-L123 HydrophobicContact CG-CD2 4.49Å; L88-L128 HydrophobicContact CB-CD1 4.47Å; L88-L128 HydrophobicContact CD1-CD2 4.26Å; L88-L128 HydrophobicContact CD2-CD1 4.24Å; L88-L128 HydrophobicContact CD2-CD2 3.39Å; L88-L128 HydrophobicContact CD2-CG 4.39Å; L88-L128 HydrophobicContact CG-CD1 3.77Å; L88-L128 HydrophobicContact CG-CD2 3.63Å; L88-L128 HydrophobicContact CG-CG 4.35Å; L88-L128 WeakPolarHBondContact O-CD1 3.36Å
89	D	71	Confident	66.8	Low	74 Å²	74	58.6 Å²	58.6	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-38.6	173.5	-81.3	-26.1	0	0	0	112	S85 Q86 A92 T93	S85-D89 WeakPolarHBondContact O-CB 3.49Å; S85-D89 PolarHBondContact O-N 2.75Å; Q86-D89 PolarHBondContact O-N 2.97Å; D89-A92 PolarHBondContact O-N 3.12Å; D89-T93 WeakPolarHBondContact O-CB 3.5Å; D89-T93 PolarHBondContact O-N 2.8Å; D89-T93 PolarHBondContact O-OG1 3.27Å
90	D	68.5	Low	67.1	Low	83 Å²	83	58.4 Å²	58.4	44%	0.444	30%	0.3	S	S	.	.	H	α-helix	trans	-66.6	-41.8	175.1	-72.9	-20.2	0	0	0	111.2	Q86 V87 T93 S94	Q86-D90 WeakPolarHBondContact O-CB 3.43Å; Q86-D90 VanDerWaalsContact O-CG 3.26Å; Q86-D90 PolarHBondContact O-N 2.75Å; V87-D90 PolarHBondContact O-N 3.21Å; D90-T93 PolarHBondContact O-N 2.83Å; D90-S94 WeakPolarHBondContact O-CB 2.95Å; D90-S94 PolarHBondContact O-N 3.47Å; D90-S94 PolarHBondContact O-OG 2.68Å
91	L	67.1	Low	67.3	Low	11 Å²	11	56.1 Å²	56.1	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-47	173.1	-73.6	166.3	0	0	0	111.2	P23 L83 V87 L88 T93 S94 S95 L98 L123 A201	P23-L91 HydrophobicContact CB-CD2 3.83Å; P23-L91 HydrophobicContact CG-CD2 3.47Å; P23-L91 VanDerWaalsContact CG-CD2 3.47Å; L83-L91 HydrophobicContact CD1-CD1 4.21Å; V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.43Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 3.34Å; L88-L91 PolarHBondContact O-N 3.49Å; L91-T93 PolarHBondContact O-N 2.99Å; L91-S94 PolarHBondContact O-N 2.76Å; L91-S94 PolarHBondContact O-OG 2.8Å; L91-S95 CarbonylContact O-C 3.6Å; L91-S95 WeakPolarHBondContact O-CA 3.4Å; L91-S95 PolarHBondContact O-N 2.75Å; L91-L98 HydrophobicContact CD2-CD1 4.35Å; L91-L123 HydrophobicContact CB-CD1 4.45Å; L91-A201 HydrophobicContact CD1-CB 3.59Å; L91-A201 HydrophobicContact CD2-CB 3.78Å; L91-A201 HydrophobicContact CG-CB 4.25Å
92	A	69.8	Low	67.8	Low	8 Å²	8	50.6 Å²	50.6	7%	0.066	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-28.8	177.7	0	0	0	0	0	113.3	L88 D89 L123 K125 L128	L88-A92 WeakPolarHBondContact O-CB 3.25Å; L88-A92 PolarHBondContact O-N 2.92Å; D89-A92 PolarHBondContact O-N 3.12Å; A92-L123 HydrophobicContact CB-CB 4.16Å; A92-K125 HydrophobicContact CB-CG 4.3Å; A92-L128 HydrophobicContact CB-CD1 3.54Å
93	T	68.6	Low	68.6	Low	88 Å²	88	50.1 Å²	50.1	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-81.8	-43.1	177.9	-53.4	0	0	0	0	111.8	D89 D90 L91 K125	D89-T93 WeakPolarHBondContact O-CB 3.5Å; D89-T93 PolarHBondContact O-N 2.8Å; D89-T93 PolarHBondContact O-OG1 3.27Å; D90-T93 PolarHBondContact O-N 2.83Å; L91-T93 PolarHBondContact O-N 2.99Å; T93-K125 WeakPolarHBondContact OG1-CE 3.34Å; T93-K125 PolarHBondContact OG1-NZ 3.09Å
94	S	63.8	Low	69	Low	53 Å²	53	52.2 Å²	52.2	37%	0.371	28%	0.276	S	S	.	.	H	α-helix	trans	-80.2	-41	-176.3	60.8	0	0	0	0	113.2	D90 L91	D90-S94 WeakPolarHBondContact O-CB 2.95Å; D90-S94 PolarHBondContact O-N 3.47Å; D90-S94 PolarHBondContact O-OG 2.68Å; L91-S94 PolarHBondContact O-N 2.76Å; L91-S94 PolarHBondContact O-OG 2.8Å
95	S	59.8	Low	69.4	Low	27 Å²	27	49.2 Å²	49.2	19%	0.189	26%	0.255	C	S	.	.			trans	-141.1	105.1	-176.1	-104.7	0	0	0	0	111	P23 L91 R97	P23-S95 VanDerWaalsContact CD-CB 3.48Å; P23-S95 WeakPolarHBondContact CD-OG 3.31Å; L91-S95 CarbonylContact O-C 3.6Å; L91-S95 WeakPolarHBondContact O-CA 3.4Å; L91-S95 PolarHBondContact O-N 2.75Å; S95-R97 PolarHBondContact O-N 2.91Å
96	K	68.6	Low	69.3	Low	152 Å²	152	46.9 Å²	46.9	66%	0.661	24%	0.239	S	C	*	.	S	Bend	trans	-59.3	-6.9	170.9	-63.7	-174.1	180	-175	0	113.6	L122 L123	K96-L122 HydrophobicContact CB-CD1 4.49Å; K96-L122 CarbonylContact O-C 3.45Å; K96-L122 WeakPolarHBondContact O-CA 3.27Å; K96-L122 WeakPolarHBondContact O-CD1 3.38Å; K96-L122 WeakPolarHBondContact O-CG 3.28Å; K96-L123 WeakPolarHBondContact CA-O 3.08Å; K96-L123 PolarHBondContact O-N 3.38Å
97	R	70.8	Confident	69.3	Low	132 Å²	132	43.7 Å²	43.7	50%	0.498	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.2	-179.8	-74	177	69.8	-176.4	-0.3	110.1	P22 S95 L121 L122	P22-R97 HydrophobicContact CB-CB 4.3Å; P22-R97 WeakPolarHBondContact CB-O 3.28Å; S95-R97 PolarHBondContact O-N 2.91Å; R97-L121 WeakPolarHBondContact CA-O 3.39Å; R97-L122 HydrophobicContact CG-CD1 3.61Å
98	L	72.4	Confident	69	Low	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.4	170	-177.3	76.5	0	0	0	108.9	P23 V25 L79 L91 V100 Y120 L121 L123	P23-L98 HydrophobicContact CB-CD1 3.95Å; P23-L98 HydrophobicContact CG-CD1 3.83Å; P23-L98 WeakPolarHBondContact O-CD1 3.24Å; V25-L98 HydrophobicContact CB-CD1 4.5Å; V25-L98 HydrophobicContact CB-CD2 4.2Å; V25-L98 HydrophobicContact CG2-CD1 3.81Å; V25-L98 HydrophobicContact CG2-CD2 3.91Å; V25-L98 HydrophobicContact CG2-CG 4.24Å; L79-L98 HydrophobicContact CD1-CD2 3.74Å; L79-L98 HydrophobicContact CD2-CD2 4.4Å; L91-L98 HydrophobicContact CD2-CD1 4.35Å; L98-V100 HydrophobicContact CD2-CG2 3.95Å; L98-V100 HydrophobicContact CG-CG2 4.3Å; L98-Y120 CarbonylContact O-C 3.51Å; L98-Y120 WeakPolarHBondContact O-CA 3.38Å; L98-L121 PolarHBondContact N-O 2.94Å; L98-L121 PolarHBondContact O-N 2.87Å; L98-L123 HydrophobicContact CB-CD1 3.43Å; L98-L123 VanDerWaalsContact CB-CD1 3.43Å; L98-L123 HydrophobicContact CD2-CD1 3.99Å; L98-L123 HydrophobicContact CG-CD1 4.23Å
99	R	73.8	Confident	68.6	Low	38 Å²	38	54.3 Å²	54.3	14%	0.143	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.3	171	-168.6	-176.8	-176.1	-161.6	5.8	109.1	P23 V24 V25 N118 E119 Y120 E204	P23-R99 PolarHBondContact O-N 3.45Å; V24-R99 CarbonylContact C-O 3.39Å; V24-R99 VanDerWaalsContact CA-O 3.29Å; V24-R99 WeakPolarHBondContact CA-O 3.5Å; V24-R99 HydrophobicContact CG2-CB 4.33Å; V25-R99 PolarHBondContact N-O 3.47Å; R99-N118 PolarHBondContact NE-OD1 2.94Å; R99-N118 PolarHBondContact NH2-ND2 3.5Å; R99-N118 PolarHBondContact NH2-OD1 2.87Å; R99-E119 CarbonylContact C-O 3.6Å; R99-E119 WeakPolarHBondContact CA-O 3.47Å; R99-Y120 HydrophobicContact CB-CD1 3.99Å; R99-Y120 HydrophobicContact CB-CE1 3.8Å; R99-Y120 HydrophobicContact CG-CD1 4.12Å; R99-Y120 HydrophobicContact CG-CE1 3.73Å; R99-E204 WeakPolarHBondContact CD-OE1 3.39Å; R99-E204 IonicContact CZ-OE1 3.77Å; R99-E204 IonicContact NE-OE1 3.84Å; R99-E204 IonicContact NH1-OE1 3.93Å; R99-E204 PolarHBondContact NH1-OE1 3.01Å; R99-E204 IonicContact NH1-OE2 2.82Å; R99-E204 PolarHBondContact NH1-OE2 3Å
100	V	74.4	Confident	67.9	Low	3 Å²	3	53 Å²	53	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126	177.3	-174.6	0	0	0	0	108.5	V25 L75 L98 N118 E119 L121	V25-V100 WeakPolarHBondContact O-CA 3.12Å; L75-V100 HydrophobicContact CD2-CG1 4.2Å; L98-V100 HydrophobicContact CD2-CG2 3.95Å; L98-V100 HydrophobicContact CG-CG2 4.3Å; V100-N118 WeakPolarHBondContact O-CA 3.41Å; V100-E119 HydrophobicContact CB-CG 4.14Å; V100-E119 PolarHBondContact N-O 3.14Å; V100-E119 PolarHBondContact O-N 2.86Å; V100-L121 HydrophobicContact CG2-CB 4.45Å
101	I	73.1	Confident	67.1	Low	7 Å²	7	53 Å²	53	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.7	175.8	-50.7	177	0	0	0	108.4	V24 V25 L26 R27 L103 V115 G117 L207	V24-I101 HydrophobicContact CG1-CD1 3.95Å; V24-I101 HydrophobicContact CG1-CG1 4.25Å; V25-I101 PolarHBondContact O-N 2.84Å; L26-I101 HydrophobicContact CD2-CB 3.59Å; L26-I101 HydrophobicContact CD2-CD1 4Å; L26-I101 HydrophobicContact CD2-CG1 4.1Å; L26-I101 HydrophobicContact CD2-CG2 4.31Å; R27-I101 PolarHBondContact N-O 3.05Å; I101-L103 HydrophobicContact CG2-CD2 4.16Å; I101-V115 HydrophobicContact CG2-CG1 3.92Å; I101-G117 WeakPolarHBondContact CA-O 3.49Å; I101-G117 WeakPolarHBondContact CG2-O 3.46Å; I101-L207 HydrophobicContact CD1-CD1 3.69Å; I101-L207 HydrophobicContact CD1-CD2 4.29Å
102	D	74.6	Confident	66.5	Low	15 Å²	15	54.4 Å²	54.4	8%	0.08	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.8	176.8	-61	-43	0	0	0	110.5	R27 V115 T116 G117	R27-D102 WeakPolarHBondContact CB-OD1 3.17Å; R27-D102 IonicContact CZ-OD1 2.63Å; R27-D102 IonicContact CZ-OD2 3.17Å; R27-D102 IonicContact NE-OD1 2.98Å; R27-D102 PolarHBondContact NE-OD1 2.64Å; R27-D102 IonicContact NH2-OD1 3.61Å; R27-D102 PolarHBondContact NH2-OD1 2.87Å; R27-D102 IonicContact NH2-OD2 2.74Å; R27-D102 PolarHBondContact NH2-OD2 3.43Å; R27-D102 CarbonylContact O-C 3.51Å; R27-D102 WeakPolarHBondContact O-CA 3.38Å; D102-V115 CarbonylContact O-C 3.57Å; D102-V115 WeakPolarHBondContact O-CA 3.17Å; D102-T116 WeakPolarHBondContact CB-OG1 3.44Å; D102-T116 PolarHBondContact O-N 3.4Å; D102-T116 PolarHBondContact O-OG1 3.26Å; D102-G117 PolarHBondContact N-O 3.36Å; D102-G117 PolarHBondContact O-N 2.93Å
103	L	72.9	Confident	66.1	Low	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.9	-178.4	-58	174.6	0	0	0	108	R27 V28 K29 M42 I101 L113 K114 V115 M180	R27-L103 PolarHBondContact O-N 2.87Å; V28-L103 CarbonylContact C-O 3.46Å; V28-L103 VanDerWaalsContact CA-O 3.27Å; V28-L103 WeakPolarHBondContact CA-O 3.33Å; V28-L103 HydrophobicContact CG2-CB 4.16Å; V28-L103 HydrophobicContact CG2-CD1 4.09Å; K29-L103 PolarHBondContact N-O 2.91Å; M42-L103 HydrophobicContact CE-CD1 4.24Å; M42-L103 HydrophobicContact CE-CD2 4.32Å; M42-L103 HydrophobicContact SD-CD1 4.14Å; M42-L103 HydrophobicContact SD-CD2 4.34Å; I101-L103 HydrophobicContact CG2-CD2 4.16Å; L103-L113 HydrophobicContact CB-CD2 4.35Å; L103-L113 HydrophobicContact CD1-CD1 4.47Å; L103-K114 CarbonylContact C-O 3.52Å; L103-K114 VanDerWaalsContact CA-O 3.28Å; L103-K114 WeakPolarHBondContact CA-O 3.47Å; L103-V115 HydrophobicContact CD2-CB 4.31Å; L103-V115 HydrophobicContact CD2-CG2 3.68Å; L103-M180 HydrophobicContact CD1-SD 4.2Å
104	E	72.2	Confident	65.8	Low	55 Å²	55	55.5 Å²	55.5	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	172.5	-172.2	168	-137.9	0	0	109.3	K29 K114 T116	K29-E104 HydrophobicContact CD-CG 4.38Å; K29-E104 WeakPolarHBondContact CD-OE1 3.36Å; K29-E104 IonicContact NZ-OE1 3.26Å; K29-E104 PolarHBondContact NZ-OE1 3.33Å; K29-E104 WeakPolarHBondContact O-CA 3.49Å; E104-K114 PolarHBondContact N-O 2.76Å; E104-K114 PolarHBondContact O-N 2.76Å; E104-T116 HydrophobicContact CB-CG2 3.54Å
105	M	70.1	Confident	65.9	Low	10 Å²	10	55.8 Å²	55.8	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132	174.7	-171.1	179	-95.9	0	0	109.4	K29 R30 L40 D107 P110 L113	K29-M105 PolarHBondContact O-N 2.91Å; R30-M105 HydrophobicContact CB-CB 4.48Å; R30-M105 HydrophobicContact CG-CB 4.39Å; R30-M105 HydrophobicContact CG-SD 3.92Å; L40-M105 HydrophobicContact CD1-CE 4.24Å; L40-M105 HydrophobicContact CD2-CE 3.17Å; L40-M105 HydrophobicContact CG-CE 4.13Å; M105-D107 PolarHBondContact O-N 3.1Å; M105-P110 WeakPolarHBondContact CE-O 3.49Å; M105-P110 HydrophobicContact SD-CB 4.13Å; M105-P110 VanDerWaalsContact SD-O 3.38Å; M105-L113 HydrophobicContact CB-CD2 4.28Å
106	S	65.6	Low	66.1	Low	41 Å²	41	56.4 Å²	56.4	29%	0.287	29%	0.288	S	S	.	.			trans	-67.7	131.8	176.3	176.4	0	0	0	0	111.1	N108 F109 S112	S106-N108 VanDerWaalsContact C-N 3.25Å; S106-N108 PolarHBondContact O-N 3.39Å; S106-N108 PolarHBondContact OG-N 2.88Å; S106-F109 CarbonylContact O-C 3.51Å; S106-F109 VanDerWaalsContact O-C 3.3Å; S106-F109 PolarHBondContact O-N 3.49Å; S106-F109 PolarHBondContact OG-N 3.11Å; S106-S112 PolarHBondContact N-O 3.22Å; S106-S112 VanDerWaalsContact N-O 3.09Å
107	D	64.3	Low	66	Low	78 Å²	78	49.9 Å²	49.9	42%	0.417	27%	0.265	S	S	.	.	S	Bend	trans	-60.6	-35.8	173.3	-74.4	-18.5	0	0	0	111.9	M105	M105-D107 PolarHBondContact O-N 3.1Å
108	N	60.8	Low	66.1	Low	134 Å²	134	46.9 Å²	46.9	72%	0.717	26%	0.258	S	S	*	.	S	Bend	trans	-81.7	-23.6	-178	-68.8	-8.2	0	0	0	112.8	S106	S106-N108 VanDerWaalsContact C-N 3.25Å; S106-N108 PolarHBondContact O-N 3.39Å; S106-N108 PolarHBondContact OG-N 2.88Å
109	F	58.4	Low	65.9	Low	131 Å²	131	48.2 Å²	48.2	58%	0.575	27%	0.265	S	S	*	.			trans	-139.1	87.4	-175	-62	-76	0	0	0	109.8	S106 S111 S112	S106-F109 CarbonylContact O-C 3.51Å; S106-F109 VanDerWaalsContact O-C 3.3Å; S106-F109 PolarHBondContact O-N 3.49Å; S106-F109 PolarHBondContact OG-N 3.11Å; F109-S111 PolarHBondContact O-N 3.32Å; F109-S112 WeakPolarHBondContact O-CB 3.38Å; F109-S112 PolarHBondContact O-N 2.8Å
110	P	55.7	Low	65.9	Low	46 Å²	46	52 Å²	52	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	2.5	-175.2	28.3	-35.7	0	0	0	114.2	N37 M105	N37-P110 PolarHBondContact ND2-O 3.36Å; M105-P110 WeakPolarHBondContact CE-O 3.49Å; M105-P110 HydrophobicContact SD-CB 4.13Å; M105-P110 VanDerWaalsContact SD-O 3.38Å
111	S	52.3	Low	65.8	Low	82 Å²	82	52.3 Å²	52.3	57%	0.573	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	8.5	171.1	48.4	0	0	0	0	112.6	F109	F109-S111 PolarHBondContact O-N 3.32Å
112	S	54.2	Low	65.7	Low	41 Å²	41	57.3 Å²	57.3	29%	0.287	31%	0.308	S	S	.	.			trans	-115.7	123.9	179.2	-171.3	0	0	0	0	110.7	S106 F109	S106-S112 PolarHBondContact N-O 3.22Å; S106-S112 VanDerWaalsContact N-O 3.09Å; F109-S112 WeakPolarHBondContact O-CB 3.38Å; F109-S112 PolarHBondContact O-N 2.8Å
113	L	62	Low	65.5	Low	37 Å²	37	56.7 Å²	56.7	19%	0.194	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.9	172.3	-67	165.7	0	0	0	109.5	V28 L40 M42 L103 M105	V28-L113 HydrophobicContact CG1-CD2 3.87Å; L40-L113 HydrophobicContact CB-CD1 4.27Å; L40-L113 HydrophobicContact CD1-CD1 4.32Å; L40-L113 HydrophobicContact CD1-CD2 4.3Å; L40-L113 HydrophobicContact CD2-CD1 4.05Å; L40-L113 HydrophobicContact CD2-CD2 4.22Å; L40-L113 HydrophobicContact CD2-CG 4.16Å; L40-L113 HydrophobicContact CG-CD1 4.45Å; M42-L113 HydrophobicContact CG-CD1 3.96Å; M42-L113 HydrophobicContact SD-CD1 4.02Å; L103-L113 HydrophobicContact CB-CD2 4.35Å; L103-L113 HydrophobicContact CD1-CD1 4.47Å; M105-L113 HydrophobicContact CB-CD2 4.28Å
114	K	62.1	Low	65.3	Low	83 Å²	83	60.7 Å²	60.7	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.5	172.6	-176.8	-177.2	175.9	-172.1	0	108.6	F59 L103 E104 T116	F59-K114 HydrophobicContact CE1-CD 4.48Å; L103-K114 CarbonylContact C-O 3.52Å; L103-K114 VanDerWaalsContact CA-O 3.28Å; L103-K114 WeakPolarHBondContact CA-O 3.47Å; E104-K114 PolarHBondContact N-O 2.76Å; E104-K114 PolarHBondContact O-N 2.76Å; K114-T116 PolarHBondContact O-N 2.88Å
115	V	65.5	Low	65	Low	59 Å²	59	63.3 Å²	63.3	36%	0.358	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	119.7	169.7	-176.3	0	0	0	0	108.3	I101 D102 L103	I101-V115 HydrophobicContact CG2-CG1 3.92Å; D102-V115 CarbonylContact O-C 3.57Å; D102-V115 WeakPolarHBondContact O-CA 3.17Å; L103-V115 HydrophobicContact CD2-CB 4.31Å; L103-V115 HydrophobicContact CD2-CG2 3.68Å
116	T	65.1	Low	64.9	Low	39 Å²	39	66 Å²	66	24%	0.239	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-22.3	177.8	50.3	0	0	0	0	112.2	D102 E104 K114	D102-T116 WeakPolarHBondContact CB-OG1 3.44Å; D102-T116 PolarHBondContact O-N 3.4Å; D102-T116 PolarHBondContact O-OG1 3.26Å; E104-T116 HydrophobicContact CB-CG2 3.54Å; K114-T116 PolarHBondContact O-N 2.88Å
117	G	65.7	Low	64.9	Low	16 Å²	16	66.9 Å²	66.9	17%	0.165	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.2	-176.7	0	0	0	0	0	111.9	I101 D102	I101-G117 WeakPolarHBondContact CA-O 3.49Å; I101-G117 WeakPolarHBondContact CG2-O 3.46Å; D102-G117 PolarHBondContact N-O 3.36Å; D102-G117 PolarHBondContact O-N 2.93Å
118	N	73.7	Confident	64.8	Low	68 Å²	68	64 Å²	64	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	95.6	176.4	-170.7	-13.5	0	0	0	108.1	R99 V100	R99-N118 PolarHBondContact NE-OD1 2.94Å; R99-N118 PolarHBondContact NH2-ND2 3.5Å; R99-N118 PolarHBondContact NH2-OD1 2.87Å; V100-N118 WeakPolarHBondContact O-CA 3.41Å
119	E	68.3	Low	64.8	Low	29 Å²	29	63 Å²	63	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	157.9	-169.7	60.3	-168.8	160.4	0	0	112.1	S70 L75 R99 V100	S70-E119 PolarHBondContact OG-OE1 3.19Å; L75-E119 VanDerWaalsContact CD1-CD 3.4Å; L75-E119 HydrophobicContact CD1-CG 4.28Å; L75-E119 WeakPolarHBondContact CD1-OE1 3.43Å; L75-E119 WeakPolarHBondContact CD2-OE1 3.43Å; R99-E119 CarbonylContact C-O 3.6Å; R99-E119 WeakPolarHBondContact CA-O 3.47Å; V100-E119 HydrophobicContact CB-CG 4.14Å; V100-E119 PolarHBondContact N-O 3.14Å; V100-E119 PolarHBondContact O-N 2.86Å
120	Y	73.1	Confident	64.9	Low	117 Å²	117	59.5 Å²	59.5	46%	0.459	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.5	174.8	-70.2	-88.1	0	0	0	108.3	P22 L98 R99	P22-Y120 HydrophobicContact CG-CE1 4.11Å; L98-Y120 CarbonylContact O-C 3.51Å; L98-Y120 WeakPolarHBondContact O-CA 3.38Å; R99-Y120 HydrophobicContact CB-CD1 3.99Å; R99-Y120 HydrophobicContact CB-CE1 3.8Å; R99-Y120 HydrophobicContact CG-CD1 4.12Å; R99-Y120 HydrophobicContact CG-CE1 3.73Å
121	L	71.4	Confident	64.8	Low	9 Å²	9	63 Å²	63	5%	0.047	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.5	174.2	-172.3	69.7	0	0	0	108.8	P72 L75 V76 L79 R97 L98 V100 L123	P72-L121 HydrophobicContact CB-CD1 4.09Å; L75-L121 HydrophobicContact CB-CD1 4.36Å; L75-L121 HydrophobicContact CB-CD2 4.44Å; L75-L121 HydrophobicContact CD1-CD1 4.4Å; V76-L121 HydrophobicContact CG2-CD1 4.22Å; V76-L121 HydrophobicContact CG2-CD2 3.94Å; L79-L121 HydrophobicContact CD1-CD2 3.5Å; L79-L121 VanDerWaalsContact CD1-CD2 3.5Å; R97-L121 WeakPolarHBondContact CA-O 3.39Å; L98-L121 PolarHBondContact N-O 2.94Å; L98-L121 PolarHBondContact O-N 2.87Å; V100-L121 HydrophobicContact CG2-CB 4.45Å; L121-L123 HydrophobicContact CD2-CG 4.46Å
122	L	72.5	Confident	64.7	Low	113 Å²	113	63.4 Å²	63.4	59%	0.592	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.1	169.8	-158.4	82.1	0	0	0	108	K96 R97	K96-L122 HydrophobicContact CB-CD1 4.49Å; K96-L122 CarbonylContact O-C 3.45Å; K96-L122 WeakPolarHBondContact O-CA 3.27Å; K96-L122 WeakPolarHBondContact O-CD1 3.38Å; K96-L122 WeakPolarHBondContact O-CG 3.28Å; R97-L122 HydrophobicContact CG-CD1 3.61Å
123	L	69.8	Low	64.2	Low	2 Å²	2	65.5 Å²	65.5	1%	0.01	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-92.9	117.1	173.5	-78.1	140.5	0	0	0	108.5	L88 L91 A92 K96 L98 L121 L128	L88-L123 HydrophobicContact CD1-CD2 3.99Å; L88-L123 HydrophobicContact CG-CD2 4.49Å; L91-L123 HydrophobicContact CB-CD1 4.45Å; A92-L123 HydrophobicContact CB-CB 4.16Å; K96-L123 WeakPolarHBondContact CA-O 3.08Å; K96-L123 PolarHBondContact O-N 3.38Å; L98-L123 HydrophobicContact CB-CD1 3.43Å; L98-L123 VanDerWaalsContact CB-CD1 3.43Å; L98-L123 HydrophobicContact CD2-CD1 3.99Å; L98-L123 HydrophobicContact CG-CD1 4.23Å; L121-L123 HydrophobicContact CD2-CG 4.46Å; L123-L128 HydrophobicContact CD2-CD1 4.23Å; L123-L128 HydrophobicContact CD2-CD2 3.74Å; L123-L128 HydrophobicContact CD2-CG 4.18Å
124	D	67.6	Low	63.3	Low	85 Å²	85	69.9 Å²	69.9	46%	0.455	40%	0.404	S	S	.	.			trans	-117.7	142.9	166.7	-163.3	-31.7	0	0	0	107.7	A126 V127 L128	D124-A126 PolarHBondContact O-N 3.31Å; D124-A126 VanDerWaalsContact O-N 3.14Å; D124-A126 PolarHBondContact OD1-N 2.86Å; D124-V127 HydrophobicContact CB-CG2 4.09Å; D124-V127 WeakPolarHBondContact O-CA 3.46Å; D124-V127 WeakPolarHBondContact O-CB 3.43Å; D124-V127 PolarHBondContact O-N 3.43Å; D124-L128 PolarHBondContact O-N 3.4Å; D124-L128 VanDerWaalsContact O-N 3.1Å
125	K	66.9	Low	62	Low	110 Å²	110	72.7 Å²	72.7	48%	0.478	42%	0.423	S	S	.	.	H	α-helix	trans	-55	-31	173.6	-75.4	-169.6	174.4	-175.7	0	111.3	A92 T93 V127 L128 T129	A92-K125 HydrophobicContact CB-CG 4.3Å; T93-K125 WeakPolarHBondContact OG1-CE 3.34Å; T93-K125 PolarHBondContact OG1-NZ 3.09Å; K125-V127 VanDerWaalsContact C-N 3.34Å; K125-V127 PolarHBondContact O-N 3.08Å; K125-L128 PolarHBondContact O-N 2.82Å; K125-T129 WeakPolarHBondContact O-CG2 3.35Å; K125-T129 PolarHBondContact O-N 3.38Å; K125-T129 PolarHBondContact O-OG1 2.9Å
126	A	67	Low	60.4	Low	65 Å²	65	75.3 Å²	75.3	54%	0.537	44%	0.439	S	S	.	.	H	α-helix	trans	-63.8	-36.5	173.6	0	0	0	0	0	113.2	D124 T129 S130	D124-A126 PolarHBondContact O-N 3.31Å; D124-A126 VanDerWaalsContact O-N 3.14Å; D124-A126 PolarHBondContact OD1-N 2.86Å; A126-T129 WeakPolarHBondContact CA-OG1 3.29Å; A126-T129 PolarHBondContact O-OG1 2.92Å; A126-T129 VanDerWaalsContact O-OG1 3.11Å; A126-S130 PolarHBondContact O-N 2.89Å
127	V	65.8	Low	58.9	Low	60 Å²	60	79.1 Å²	79.1	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-73.7	-37.8	178	177.6	0	0	0	0	110.2	V76 D124 K125 T129 S130	V76-V127 HydrophobicContact CG1-CG1 4.21Å; V76-V127 HydrophobicContact CG2-CG1 3.75Å; D124-V127 HydrophobicContact CB-CG2 4.09Å; D124-V127 WeakPolarHBondContact O-CA 3.46Å; D124-V127 WeakPolarHBondContact O-CB 3.43Å; D124-V127 PolarHBondContact O-N 3.43Å; K125-V127 VanDerWaalsContact C-N 3.34Å; K125-V127 PolarHBondContact O-N 3.08Å; V127-T129 VanDerWaalsContact C-N 3.35Å; V127-S130 WeakPolarHBondContact O-CB 3.46Å; V127-S130 PolarHBondContact O-N 2.83Å; V127-S130 PolarHBondContact O-OG 2.76Å
128	L	63.1	Low	57.1	Low	18 Å²	18	86.3 Å²	86.3	9%	0.094	50%	0.5	C	S	.	.	H	α-helix	trans	-68.8	-31.4	176.6	-66	-174.4	0	0	0	113.5	V76 K80 L88 A92 L123 D124 K125 S130	V76-L128 HydrophobicContact CG1-CD2 4.22Å; K80-L128 WeakPolarHBondContact CE-O 3.24Å; K80-L128 PolarHBondContact NZ-O 2.77Å; L88-L128 HydrophobicContact CB-CD1 4.47Å; L88-L128 HydrophobicContact CD1-CD2 4.26Å; L88-L128 HydrophobicContact CD2-CD1 4.24Å; L88-L128 HydrophobicContact CD2-CD2 3.39Å; L88-L128 HydrophobicContact CD2-CG 4.39Å; L88-L128 HydrophobicContact CG-CD1 3.77Å; L88-L128 HydrophobicContact CG-CD2 3.63Å; L88-L128 HydrophobicContact CG-CG 4.35Å; L88-L128 WeakPolarHBondContact O-CD1 3.36Å; A92-L128 HydrophobicContact CB-CD1 3.54Å; L123-L128 HydrophobicContact CD2-CD1 4.23Å; L123-L128 HydrophobicContact CD2-CD2 3.74Å; L123-L128 HydrophobicContact CD2-CG 4.18Å; D124-L128 PolarHBondContact O-N 3.4Å; D124-L128 VanDerWaalsContact O-N 3.1Å; K125-L128 PolarHBondContact O-N 2.82Å; L128-S130 VanDerWaalsContact C-N 3.31Å
129	T	61.5	Low	55	Low	114 Å²	114	86.1 Å²	86.1	70%	0.699	51%	0.513	S	S	*	.	H	α-helix	trans	-80.7	-9.6	177	45.2	0	0	0	0	113.9	K125 A126 V127	K125-T129 WeakPolarHBondContact O-CG2 3.35Å; K125-T129 PolarHBondContact O-N 3.38Å; K125-T129 PolarHBondContact O-OG1 2.9Å; A126-T129 WeakPolarHBondContact CA-OG1 3.29Å; A126-T129 PolarHBondContact O-OG1 2.92Å; A126-T129 VanDerWaalsContact O-OG1 3.11Å; V127-T129 VanDerWaalsContact C-N 3.35Å
130	S	58.8	Low	53.2	Low	56 Å²	56	93.3 Å²	93.3	39%	0.392	55%	0.547	S	S	.	.	S	Bend	trans	-61	132	174.3	66.5	0	0	0	0	111	K80 A126 V127 L128	K80-S130 PolarHBondContact NZ-O 2.86Å; A126-S130 PolarHBondContact O-N 2.89Å; V127-S130 WeakPolarHBondContact O-CB 3.46Å; V127-S130 PolarHBondContact O-N 2.83Å; V127-S130 PolarHBondContact O-OG 2.76Å; L128-S130 VanDerWaalsContact C-N 3.31Å
131	P	54.9	Low	51.1	Low	120 Å²	120	94.1 Å²	94.1	78%	0.779	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-55.9	141.7	172.4	-20.2	30.3	0	0	0	109.6	A133	P131-A133 PolarHBondContact O-N 2.93Å
132	L	49	Very low	49.2	Very low	90 Å²	90	97.1 Å²	97.1	47%	0.471	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-54.5	118.5	168	-74.5	164.5	0	0	0	107.1	T77 K80 V134	T77-L132 HydrophobicContact CG2-CD2 3.4Å; T77-L132 VanDerWaalsContact CG2-CD2 3.4Å; K80-L132 HydrophobicContact CD-CD2 4.41Å; L132-V134 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 2.84Å
133	A	44.3	Very low	47.2	Very low	85 Å²	85	96.6 Å²	96.6	70%	0.702	58%	0.582	S	S	*	*			trans	-58.3	107.6	166.6	0	0	0	0	0	105.2	P131 D135	P131-A133 PolarHBondContact O-N 2.93Å; A133-D135 PolarHBondContact O-N 2.93Å
134	V	42.2	Very low	45.4	Very low	129 Å²	129	104.1 Å²	104.1	78%	0.782	62%	0.617	S	S	*	*			trans	-61.2	110.9	169.3	179	0	0	0	0	103.5	L132 T136	L132-V134 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 2.84Å; V134-T136 VanDerWaalsContact C-N 3.29Å; V134-T136 PolarHBondContact O-N 2.94Å
135	D	36.7	Very low	43.6	Very low	142 Å²	142	106.1 Å²	106.1	76%	0.759	62%	0.623	S	S	*	*			trans	-50.6	102.1	173.5	-75.4	-41.9	0	0	0	106.6	A133 P137	A133-D135 PolarHBondContact O-N 2.93Å; D135-P137 WeakPolarHBondContact O-CD 3.45Å
136	T	30.5	Very low	41.7	Very low	114 Å²	114	105.8 Å²	105.8	70%	0.699	63%	0.626	S	S	*	*			trans	-69.5	109.8	161.8	35.5	0	0	0	0	104.3	V134 D138	V134-T136 VanDerWaalsContact C-N 3.29Å; V134-T136 PolarHBondContact O-N 2.94Å; T136-D138 PolarHBondContact O-N 2.92Å
137	P	33.1	Very low	39.9	Very low	120 Å²	120	108.5 Å²	108.5	78%	0.779	63%	0.631	S	S	*	*			trans	-60.2	113.3	175.5	23.6	-31	0	0	0	107.9	D135 G139	D135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-G139 PolarHBondContact O-N 3.09Å; P137-G139 VanDerWaalsContact O-N 3.09Å
138	D	29.9	Very low	38.4	Very low	167 Å²	167	110.1 Å²	110.1	89%	0.893	65%	0.645	S	S	*	*	S	Bend	trans	-61.5	108.5	169.5	-81.6	-42	0	0	0	108.1	T136	T136-D138 PolarHBondContact O-N 2.92Å
139	G	28.7	Very low	36.8	Very low	63 Å²	63	116.1 Å²	116.1	65%	0.649	67%	0.672	S	S	*	*	S	Bend	trans	97.3	117	164.7	0	0	0	0	0	115.4	P137	P137-G139 PolarHBondContact O-N 3.09Å; P137-G139 VanDerWaalsContact O-N 3.09Å
140	E	30.1	Very low	35.2	Very low	181 Å²	181	118.1 Å²	118.1	85%	0.846	67%	0.672	S	S	*	*	S	Bend	trans	73.1	71.8	148.1	-52.1	-171.2	170.7	0	0	116.7
141	N	30.2	Very low	33.6	Very low	133 Å²	133	119 Å²	119	71%	0.711	69%	0.689	S	S	*	*				162.2	112.2	110.3	-78.3	-29.5	0	0	0	106.8	V143	N141-V143 PolarHBondContact O-N 3.17Å
142	S	29.6	Very low	32.2	Very low	73 Å²	73	117.1 Å²	117.1	51%	0.51	68%	0.684	S	S	.	*			trans	-51.6	117.6	179.2	52.4	0	0	0	0	109.3	H144 E145	S142-H144 PolarHBondContact O-N 3.11Å; S142-E145 PolarHBondContact O-N 3.31Å
143	V	32	Very low	30.9	Very low	101 Å²	101	120.4 Å²	120.4	61%	0.612	70%	0.699	S	S	*	*	H	α-helix	trans	-51.2	-23.3	170.1	-176.6	0	0	0	0	110.9	N141 E145 L146 I147	N141-V143 PolarHBondContact O-N 3.17Å; V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 3.14Å; V143-L146 PolarHBondContact O-N 2.88Å; V143-I147 HydrophobicContact CG1-CD1 3.8Å; V143-I147 HydrophobicContact CG1-CG1 4.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.2Å; V143-I147 PolarHBondContact O-N 2.94Å
144	H	31.2	Very low	30.1	Very low	160 Å²	160	125.6 Å²	125.6	74%	0.741	71%	0.708	S	S	*	*	H	α-helix	trans	-63.6	-23.5	172.6	-145.9	-70.8	0	0	0	114.6	S142 S148	S142-H144 PolarHBondContact O-N 3.11Å; H144-S148 WeakPolarHBondContact O-CB 3.4Å; H144-S148 PolarHBondContact O-N 3.31Å
145	E	29.7	Very low	29.4	Very low	127 Å²	127	123.8 Å²	123.8	59%	0.593	71%	0.707	S	S	*	*	H	α-helix	trans	-85.7	-35.2	175.4	-160.4	167.5	-162.4	0	0	111.7	S142 V143 S148 Q149	S142-E145 PolarHBondContact O-N 3.31Å; V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 3.14Å; E145-S148 PolarHBondContact O-N 3.29Å; E145-Q149 WeakPolarHBondContact O-CB 3.34Å; E145-Q149 PolarHBondContact O-N 3.42Å
146	L	26.9	Very low	28.7	Very low	103 Å²	103	126 Å²	126	54%	0.539	71%	0.71	S	S	.	*	H	α-helix	trans	-68.4	-38.9	173.6	-80.5	168.1	0	0	0	112.3	V143 S148 Q149 F150	V143-L146 PolarHBondContact O-N 2.88Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-Q149 PolarHBondContact O-N 2.7Å; L146-F150 PolarHBondContact O-N 2.82Å
147	I	30.2	Very low	28.6	Very low	123 Å²	123	126.7 Å²	126.7	63%	0.631	71%	0.71	S	S	*	*	H	α-helix	trans	-71.5	-29.3	176.4	-63.5	172.1	0	0	0	110.9	V143	V143-I147 HydrophobicContact CG1-CD1 3.8Å; V143-I147 HydrophobicContact CG1-CG1 4.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.2Å; V143-I147 PolarHBondContact O-N 2.94Å
148	S	34.7	Very low	28.3	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	71%	0.712	S	S	*	*	H	α-helix	trans	-75.5	-23.7	171.9	-168.9	0	0	0	0	113.2	H144 E145 L146	H144-S148 WeakPolarHBondContact O-CB 3.4Å; H144-S148 PolarHBondContact O-N 3.31Å; E145-S148 PolarHBondContact O-N 3.29Å; L146-S148 VanDerWaalsContact C-N 3.3Å
149	Q	29	Very low	28.1	Very low	144 Å²	144	129 Å²	129	67%	0.673	71%	0.709	S	S	*	*	H	α-helix	trans	-84.7	-25.4	-179.3	-157.1	168.5	70.2	0	0	112.6	E145 L146	E145-Q149 WeakPolarHBondContact O-CB 3.34Å; E145-Q149 PolarHBondContact O-N 3.42Å; L146-Q149 PolarHBondContact O-N 2.7Å
150	F	26.9	Very low	28	Very low	157 Å²	157	133.7 Å²	133.7	69%	0.689	71%	0.714	S	S	*	*			trans	-109.5	66.8	171.8	-66.3	-80.1	0	0	0	111	L146 A152	L146-F150 PolarHBondContact O-N 2.82Å; F150-A152 PolarHBondContact O-N 3.39Å; F150-A152 VanDerWaalsContact O-N 3.08Å
151	G	25.4	Very low	27.7	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	71%	0.706	S	S	*	*			trans	-71.9	90.7	163.3	0	0	0	0	0	110.6
152	A	25.8	Very low	27.5	Very low	80 Å²	80	131.9 Å²	131.9	66%	0.661	71%	0.709	S	S	*	*			trans	159.5	139.2	164.2	0	0	0	0	0	107	F150	F150-A152 PolarHBondContact O-N 3.39Å; F150-A152 VanDerWaalsContact O-N 3.08Å
153	M	22.8	Very low	27.2	Very low	160 Å²	160	134.6 Å²	134.6	79%	0.788	72%	0.722	S	S	*	*			cis	-164.3	136.9	9.3	-167.5	88.4	71.2	0	0	104.3	A155	M153-A155 PolarHBondContact O-N 3.44Å; M153-A155 VanDerWaalsContact O-N 3.11Å
154	E	26.9	Very low	27.2	Very low	193 Å²	193	134.4 Å²	134.4	90%	0.902	73%	0.726	S	S	*	*			trans	-63.9	107.8	155.5	-70.6	-179.8	161.6	0	0	107.1
155	A	26.3	Very low	26.9	Very low	91 Å²	91	134.8 Å²	134.8	75%	0.752	73%	0.728	S	S	*	*			trans	-123.5	94	170.8	0	0	0	0	0	108.6	M153	M153-A155 PolarHBondContact O-N 3.44Å; M153-A155 VanDerWaalsContact O-N 3.11Å
156	F	23.2	Very low	26.6	Very low	190 Å²	190	135.4 Å²	135.4	83%	0.833	74%	0.735	S	S	*	*			trans	-51.6	145.1	158.7	-107.1	-104.2	0	0	0	112
157	N	26.9	Very low	26.7	Very low	128 Å²	128	136.6 Å²	136.6	68%	0.684	75%	0.747	S	S	*	*			trans	126.6	106.7	142.8	-71.8	-12.8	0	0	0	115.5
158	E	28.3	Very low	26.4	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	76%	0.755	S	S	*	*				30.6	98.4	125.1	-63.4	179	169.9	0	0	116.6
159	L	26.2	Very low	26	Very low	157 Å²	157	135.8 Å²	135.8	82%	0.822	77%	0.766	S	S	*	*			trans	-98.3	85.4	156	-170.1	65.2	0	0	0	108.1
160	E	25.3	Very low	25.8	Very low	162 Å²	162	133.7 Å²	133.7	76%	0.757	77%	0.773	S	S	*	*			trans	-72.7	145.5	158.2	-84.1	-127.6	147.6	0	0	110.5
161	S	23.2	Very low	25.8	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	78%	0.777	S	S	*	*			trans	66.9	89.2	157.3	72.4	0	0	0	0	117.9
162	F	26.4	Very low	26.1	Very low	179 Å²	179	132.1 Å²	132.1	79%	0.785	78%	0.775	S	S	*	*			trans	-110.7	99.2	141.1	-102.9	-89.4	0	0	0	108.4	S164	F162-S164 PolarHBondContact O-N 2.7Å
163	V	24.7	Very low	26.5	Very low	130 Å²	130	135.2 Å²	135.2	79%	0.788	78%	0.78	S	S	*	*			trans	-72.2	114.8	158	175.5	0	0	0	0	105.9
164	S	31.6	Very low	27	Very low	98 Å²	98	132 Å²	132	69%	0.685	78%	0.78	S	S	*	*			trans	-144.2	112	163.3	-64.4	0	0	0	0	107.1	F162	F162-S164 PolarHBondContact O-N 2.7Å
165	E	25	Very low	28	Very low	168 Å²	168	131 Å²	131	79%	0.785	77%	0.767	S	S	*	*			trans	-58.5	158	173.6	-73.9	167.2	124.1	0	0	111.9
166	D	23.3	Very low	28.7	Very low	140 Å²	140	129.5 Å²	129.5	75%	0.749	75%	0.751	S	S	*	*			trans	92.8	130.1	148.2	-68.5	-24.4	0	0	0	121.8
167	T	28.1	Very low	30.4	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	74%	0.74	S	S	*	*			trans	86.2	96	154.1	49.8	0	0	0	0	120.1
168	S	25	Very low	32.1	Very low	115 Å²	115	119.3 Å²	119.3	80%	0.804	71%	0.71	S	S	*	*			trans	59.5	105	132.8	63	0	0	0	0	119.4
169	G	24.5	Very low	33.8	Very low	85 Å²	85	112.2 Å²	112.2	88%	0.876	68%	0.679	S	S	*	*				72.7	62.6	124.3	0	0	0	0	0	117.5
170	A	25.9	Very low	35.6	Very low	99 Å²	99	104.7 Å²	104.7	82%	0.818	64%	0.64	S	S	*	*			trans	-128.3	89.7	151.6	0	0	0	0	0	108.2	A172	A170-A172 PolarHBondContact O-N 2.75Å; A170-A172 VanDerWaalsContact O-N 3.07Å
171	S	27.5	Very low	37.2	Very low	112 Å²	112	100.3 Å²	100.3	78%	0.783	62%	0.621	S	S	*	*			trans	-49.8	116.4	167.5	178.3	0	0	0	0	108	N173	S171-N173 PolarHBondContact O-N 2.79Å; S171-N173 VanDerWaalsContact O-N 3.15Å
172	A	31.9	Very low	38.9	Very low	87 Å²	87	98.3 Å²	98.3	72%	0.719	62%	0.616	S	S	*	*			trans	-47.4	123.3	174.8	0	0	0	0	0	108.4	A170 A174	A170-A172 PolarHBondContact O-N 2.75Å; A170-A172 VanDerWaalsContact O-N 3.07Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 2.93Å
173	N	32.8	Very low	40.4	Very low	145 Å²	145	91.8 Å²	91.8	78%	0.775	59%	0.591	S	S	*	*			trans	-45.5	81	-176.2	-87.9	-38.1	0	0	0	113.1	S171 R175	S171-N173 PolarHBondContact O-N 2.79Å; S171-N173 VanDerWaalsContact O-N 3.15Å; N173-R175 PolarHBondContact O-N 3.19Å
174	A	34.5	Very low	42.4	Very low	93 Å²	93	89.3 Å²	89.3	77%	0.769	58%	0.577	S	S	*	*			trans	-71.8	75.8	162.1	0	0	0	0	0	106.2	A172 S176	A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 2.93Å; A174-S176 PolarHBondContact O-N 2.89Å
175	R	46.5	Very low	44.1	Very low	172 Å²	172	85.1 Å²	85.1	65%	0.649	55%	0.547	S	S	*	.			trans	-56.9	111.4	173.1	-80.6	-179.9	173.7	175.3	-0.9	106.5	N173	N173-R175 PolarHBondContact O-N 3.19Å
176	S	42.5	Very low	46.2	Very low	58 Å²	58	81.8 Å²	81.8	41%	0.406	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-49.1	135.1	179.1	36.3	0	0	0	0	110.4	A174 I178	A174-S176 PolarHBondContact O-N 2.89Å; S176-I178 PolarHBondContact O-N 2.79Å
177	P	57.6	Low	48.6	Very low	92 Å²	92	81.3 Å²	81.3	60%	0.597	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-59.1	130.5	178.6	23.4	-31.6	0	0	0	108.9	T179	P177-T179 PolarHBondContact O-N 3.33Å
178	I	64	Low	50.5	Low	13 Å²	13	75.9 Å²	75.9	7%	0.067	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-72	124.1	173.2	-57.9	-176.4	0	0	0	106.5	A36 L40 S176 L185 Y197	A36-I178 HydrophobicContact CB-CG1 4.37Å; L40-I178 HydrophobicContact CD1-CG2 4.14Å; S176-I178 PolarHBondContact O-N 2.79Å; I178-L185 HydrophobicContact CG2-CD1 4.04Å; I178-L185 WeakPolarHBondContact O-CB 3.05Å; I178-L185 PolarHBondContact O-N 2.69Å; I178-Y197 HydrophobicContact CD1-CD1 4.38Å; I178-Y197 HydrophobicContact CD1-CD2 4.48Å; I178-Y197 HydrophobicContact CD1-CE1 3.72Å; I178-Y197 HydrophobicContact CD1-CE2 3.83Å; I178-Y197 VanDerWaalsContact CD1-CZ 3.41Å; I178-Y197 WeakPolarHBondContact CD1-OH 3.16Å; I178-Y197 HydrophobicContact CG1-CE1 4.31Å
179	T	63.8	Low	52.5	Low	28 Å²	28	71.6 Å²	71.6	17%	0.172	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	155.1	175.8	61.4	0	0	0	0	110.6	S38 S39 L40 P177 V183	S38-T179 PolarHBondContact O-N 2.97Å; S38-T179 PolarHBondContact O-OG1 2.89Å; S39-T179 CarbonylContact C-O 3.49Å; S39-T179 WeakPolarHBondContact CA-O 3.43Å; S39-T179 WeakPolarHBondContact CA-OG1 3.23Å; S39-T179 WeakPolarHBondContact CB-OG1 3.46Å; S39-T179 PolarHBondContact OG-OG1 3.01Å; L40-T179 WeakPolarHBondContact CB-O 3.2Å; L40-T179 PolarHBondContact N-O 2.85Å; P177-T179 PolarHBondContact O-N 3.33Å; T179-V183 CarbonylContact C-O 3.3Å; T179-V183 WeakPolarHBondContact CA-O 3.08Å
180	M	63.7	Low	54.5	Low	0 Å²	0	70.8 Å²	70.8	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.4	167.5	-179.4	172.5	51.4	0	0	109.2	L26 L40 M42 L103 G182 V183 L185 A199 F206	L26-M180 HydrophobicContact CB-CE 3.66Å; L26-M180 HydrophobicContact CD1-CE 3.12Å; L26-M180 HydrophobicContact CD1-SD 3.97Å; L26-M180 HydrophobicContact CG-CE 3.96Å; L40-M180 HydrophobicContact CB-CB 4.19Å; L40-M180 HydrophobicContact CB-CG 4.23Å; L40-M180 CarbonylContact O-C 3.53Å; L40-M180 VanDerWaalsContact O-CA 3.24Å; L40-M180 WeakPolarHBondContact O-CA 3.49Å; M42-M180 HydrophobicContact CG-CG 4.39Å; M42-M180 HydrophobicContact CG-SD 3.91Å; L103-M180 HydrophobicContact CD1-SD 4.2Å; M180-G182 PolarHBondContact O-N 3.32Å; M180-G182 VanDerWaalsContact O-N 3.09Å; M180-V183 PolarHBondContact N-O 3.04Å; M180-V183 PolarHBondContact O-N 2.86Å; M180-L185 HydrophobicContact CB-CD1 4.18Å; M180-L185 HydrophobicContact CB-CD2 4.05Å; M180-L185 HydrophobicContact CB-CG 4.27Å; M180-L185 HydrophobicContact CE-CD2 4.02Å; M180-A199 HydrophobicContact CE-CB 3.98Å; M180-F206 HydrophobicContact CE-CE1 3.98Å; M180-F206 HydrophobicContact CE-CZ 4.33Å
181	N	57.9	Low	56.6	Low	69 Å²	69	69.4 Å²	69.4	37%	0.369	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	34.2	-171	-63.5	-11.3	0	0	0	112.4	L40 V41 M42 F206	L40-N181 PolarHBondContact O-N 3.05Å; V41-N181 WeakPolarHBondContact CA-OD1 3.31Å; M42-N181 PolarHBondContact N-OD1 2.91Å; N181-F206 HydrophobicContact CB-CE2 4.43Å; N181-F206 HydrophobicContact CB-CZ 4.14Å
182	G	59.5	Low	58.5	Low	55 Å²	55	70.7 Å²	70.7	57%	0.567	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-12.1	-177.4	0	0	0	0	0	116	M180	M180-G182 PolarHBondContact O-N 3.32Å; M180-G182 VanDerWaalsContact O-N 3.09Å
183	V	58.8	Low	60.5	Low	42 Å²	42	72.4 Å²	72.4	26%	0.255	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.7	179.1	177.2	0	0	0	0	110.5	T179 M180 F206	T179-V183 CarbonylContact C-O 3.3Å; T179-V183 WeakPolarHBondContact CA-O 3.08Å; M180-V183 PolarHBondContact N-O 3.04Å; M180-V183 PolarHBondContact O-N 2.86Å; V183-F206 HydrophobicContact CB-CE2 4.22Å; V183-F206 HydrophobicContact CB-CZ 4.41Å; V183-F206 HydrophobicContact CG2-CD2 4.49Å; V183-F206 HydrophobicContact CG2-CE2 3.57Å; V183-F206 HydrophobicContact CG2-CZ 4.23Å
184	P	65	Low	62.5	Low	77 Å²	77	68.2 Å²	68.2	50%	0.5	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.3	178.9	26.3	-33.1	0	0	0	111.8
185	L	67.3	Low	64.4	Low	11 Å²	11	64 Å²	64	6%	0.058	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.4	175.7	-54.5	-179.4	0	0	0	110.5	V28 L40 I178 M180 Y197 A199	V28-L185 HydrophobicContact CG2-CD1 4.06Å; L40-L185 HydrophobicContact CD1-CD1 4.14Å; I178-L185 HydrophobicContact CG2-CD1 4.04Å; I178-L185 WeakPolarHBondContact O-CB 3.05Å; I178-L185 PolarHBondContact O-N 2.69Å; M180-L185 HydrophobicContact CB-CD1 4.18Å; M180-L185 HydrophobicContact CB-CD2 4.05Å; M180-L185 HydrophobicContact CB-CG 4.27Å; M180-L185 HydrophobicContact CE-CD2 4.02Å; L185-Y197 HydrophobicContact CB-CD1 4.16Å; L185-Y197 HydrophobicContact CB-CG 4.46Å; L185-A199 HydrophobicContact CD2-CB 3.5Å; L185-A199 VanDerWaalsContact CD2-CB 3.5Å
186	L	70.5	Confident	65.7	Low	97 Å²	97	58.4 Å²	58.4	51%	0.508	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.8	177	-79.8	133.7	0	0	0	110.5	S188 Y197 V198	L186-S188 PolarHBondContact O-N 3.02Å; L186-Y197 CarbonylContact O-C 3.36Å; L186-Y197 VanDerWaalsContact O-CA 3.24Å; L186-Y197 WeakPolarHBondContact O-CA 3.23Å; L186-V198 PolarHBondContact N-O 2.78Å; L186-V198 PolarHBondContact O-N 3.41Å
187	R	72.6	Confident	67.1	Low	130 Å²	130	56.9 Å²	56.9	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	117	173.9	-171.1	-179.8	179.9	-153.2	3.1	108.9	C190 D195 Y196 Y197	R187-C190 PolarHBondContact NH2-SG 3.2Å; R187-D195 IonicContact CZ-OD1 3.87Å; R187-D195 IonicContact NE-OD1 2.57Å; R187-D195 PolarHBondContact NE-OD1 2.73Å; R187-D195 IonicContact NE-OD2 2.69Å; R187-D195 IonicContact NH2-OD1 3.38Å; R187-D195 PolarHBondContact NH2-OD1 2.89Å; R187-D195 IonicContact NH2-OD2 3.38Å; R187-Y196 CarbonylContact C-O 3.56Å; R187-Y196 WeakPolarHBondContact CA-O 3.42Å; R187-Y197 HydrophobicContact CB-CD1 3.98Å; R187-Y197 HydrophobicContact CB-CE1 3.67Å; R187-Y197 HydrophobicContact CG-CE1 4.12Å
188	S	68.3	Low	67.7	Low	13 Å²	13	52.6 Å²	52.6	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-30.7	-175	66.1	0	0	0	0	113.9	L186 Y196	L186-S188 PolarHBondContact O-N 3.02Å; S188-Y196 PolarHBondContact N-O 3.09Å; S188-Y196 WeakPolarHBondContact OG-CB 3.42Å; S188-Y196 PolarHBondContact OG-O 2.87Å
189	S	67.4	Low	67.8	Low	25 Å²	25	52 Å²	52	18%	0.175	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	162.1	178.8	51.7	0	0	0	0	112.3	Y196	S189-Y196 PolarHBondContact O-N 3.16Å
190	C	66.9	Low	67.7	Low	69 Å²	69	53.3 Å²	53.3	47%	0.466	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.8	167.5	-168.1	0	0	0	0	107.6	R187 Y194 D195	R187-C190 PolarHBondContact NH2-SG 3.2Å; C190-Y194 CarbonylContact C-O 3.6Å; C190-Y194 VanDerWaalsContact CA-O 3.26Å; C190-Y194 WeakPolarHBondContact CA-O 3.43Å; C190-D195 PolarHBondContact SG-OD1 3.17Å
191	V	69.8	Low	67.5	Low	69 Å²	69	53.5 Å²	53.5	42%	0.418	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.1	-177.7	-174.8	0	0	0	0	107.9	N193 Y194 Y196	V191-N193 VanDerWaalsContact C-N 3.33Å; V191-N193 PolarHBondContact O-N 2.85Å; V191-Y194 PolarHBondContact N-O 2.89Å; V191-Y194 WeakPolarHBondContact O-CA 3.38Å; V191-Y194 WeakPolarHBondContact O-CB 3.43Å; V191-Y194 PolarHBondContact O-N 2.98Å; V191-Y196 HydrophobicContact CB-CE2 4.26Å
192	D	67.9	Low	67.8	Low	139 Å²	139	51.4 Å²	51.4	74%	0.743	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	43.2	175.4	-58.6	-34.2	0	0	0	115.2	Y194	D192-Y194 VanDerWaalsContact O-CD2 3.23Å; D192-Y194 WeakPolarHBondContact O-CD2 3.22Å; D192-Y194 PolarHBondContact O-N 2.78Å
193	N	73.7	Confident	67.9	Low	124 Å²	124	52.3 Å²	52.3	66%	0.663	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	22.8	-173.4	-58.6	-42.1	0	0	0	114.5	K31 A32 V191	K31-N193 CarbonylContact C-O 3.53Å; K31-N193 WeakPolarHBondContact CA-O 3.44Å; A32-N193 VanDerWaalsContact CB-O 3.31Å; A32-N193 WeakPolarHBondContact CB-O 3.45Å; A32-N193 PolarHBondContact N-O 2.78Å; V191-N193 VanDerWaalsContact C-N 3.33Å; V191-N193 PolarHBondContact O-N 2.85Å
194	Y	73.5	Confident	67.7	Low	57 Å²	57	52.9 Å²	52.9	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.6	169.6	-69.6	-90.8	0	0	0	111.1	K29 R30 K31 C190 V191 D192	K29-Y194 HydrophobicContact CD-CD1 4.35Å; K29-Y194 HydrophobicContact CG-CD1 3.97Å; K29-Y194 HydrophobicContact CG-CG 4.29Å; R30-Y194 VanDerWaalsContact C-CD1 3.47Å; R30-Y194 CarbonylContact O-C 3.57Å; R30-Y194 WeakPolarHBondContact O-CA 3.43Å; R30-Y194 WeakPolarHBondContact O-CB 3.32Å; R30-Y194 WeakPolarHBondContact O-CD1 3.39Å; K31-Y194 HydrophobicContact CB-CD1 4.24Å; K31-Y194 HydrophobicContact CB-CE1 4.01Å; C190-Y194 CarbonylContact C-O 3.6Å; C190-Y194 VanDerWaalsContact CA-O 3.26Å; C190-Y194 WeakPolarHBondContact CA-O 3.43Å; V191-Y194 PolarHBondContact N-O 2.89Å; V191-Y194 WeakPolarHBondContact O-CA 3.38Å; V191-Y194 WeakPolarHBondContact O-CB 3.43Å; V191-Y194 PolarHBondContact O-N 2.98Å; D192-Y194 VanDerWaalsContact O-CD2 3.23Å; D192-Y194 WeakPolarHBondContact O-CD2 3.22Å; D192-Y194 PolarHBondContact O-N 2.78Å
195	D	74.5	Confident	67.2	Low	4 Å²	4	53 Å²	53	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.2	168.7	-68.4	-32.2	0	0	0	110.2	R30 A32 R187 C190 Y197	R30-D195 PolarHBondContact N-O 2.87Å; R30-D195 PolarHBondContact O-N 2.8Å; A32-D195 WeakPolarHBondContact CA-OD2 3.42Å; R187-D195 IonicContact CZ-OD1 3.87Å; R187-D195 IonicContact NE-OD1 2.57Å; R187-D195 PolarHBondContact NE-OD1 2.73Å; R187-D195 IonicContact NE-OD2 2.69Å; R187-D195 IonicContact NH2-OD1 3.38Å; R187-D195 PolarHBondContact NH2-OD1 2.89Å; R187-D195 IonicContact NH2-OD2 3.38Å; C190-D195 PolarHBondContact SG-OD1 3.17Å; D195-Y197 HydrophobicContact CB-CD2 4.29Å; D195-Y197 HydrophobicContact CB-CE2 3.53Å
196	Y	73.9	Confident	66.4	Low	54 Å²	54	54.1 Å²	54.1	21%	0.212	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.3	173.5	-69.4	-99.3	0	0	0	109.5	R27 V28 K29 R187 S188 S189 V191	R27-Y196 HydrophobicContact CG-CD1 4.43Å; V28-Y196 CarbonylContact O-C 3.56Å; V28-Y196 WeakPolarHBondContact O-CA 3.29Å; K29-Y196 HydrophobicContact CB-CD1 4.17Å; K29-Y196 HydrophobicContact CB-CE1 3.94Å; K29-Y196 HydrophobicContact CD-CE1 4.01Å; K29-Y196 HydrophobicContact CG-CD1 4.34Å; K29-Y196 HydrophobicContact CG-CE1 3.8Å; K29-Y196 HydrophobicContact CG-CE2 4.38Å; R187-Y196 CarbonylContact C-O 3.56Å; R187-Y196 WeakPolarHBondContact CA-O 3.42Å; S188-Y196 PolarHBondContact N-O 3.09Å; S188-Y196 WeakPolarHBondContact OG-CB 3.42Å; S188-Y196 PolarHBondContact OG-O 2.87Å; S189-Y196 PolarHBondContact O-N 3.16Å; V191-Y196 HydrophobicContact CB-CE2 4.26Å
197	Y	73.5	Confident	65.5	Low	27 Å²	27	50.5 Å²	50.5	11%	0.106	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.7	178.4	-68.2	-90.8	0	0	0	110	R27 V28 I178 L185 L186 R187 D195	R27-Y197 CarbonylContact C-O 3.57Å; R27-Y197 VanDerWaalsContact CA-O 3.28Å; R27-Y197 WeakPolarHBondContact CA-O 3.45Å; V28-Y197 PolarHBondContact N-O 3.47Å; V28-Y197 PolarHBondContact O-N 3.48Å; I178-Y197 HydrophobicContact CD1-CD1 4.38Å; I178-Y197 HydrophobicContact CD1-CD2 4.48Å; I178-Y197 HydrophobicContact CD1-CE1 3.72Å; I178-Y197 HydrophobicContact CD1-CE2 3.83Å; I178-Y197 VanDerWaalsContact CD1-CZ 3.41Å; I178-Y197 WeakPolarHBondContact CD1-OH 3.16Å; I178-Y197 HydrophobicContact CG1-CE1 4.31Å; L185-Y197 HydrophobicContact CB-CD1 4.16Å; L185-Y197 HydrophobicContact CB-CG 4.46Å; L186-Y197 CarbonylContact O-C 3.36Å; L186-Y197 VanDerWaalsContact O-CA 3.24Å; L186-Y197 WeakPolarHBondContact O-CA 3.23Å; R187-Y197 HydrophobicContact CB-CD1 3.98Å; R187-Y197 HydrophobicContact CB-CE1 3.67Å; R187-Y197 HydrophobicContact CG-CE1 4.12Å; D195-Y197 HydrophobicContact CB-CD2 4.29Å; D195-Y197 HydrophobicContact CB-CE2 3.53Å
198	V	69.7	Low	64.3	Low	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.5	179.1	-179.4	0	0	0	0	108.5	V25 L26 R27 A82 L186	V25-V198 HydrophobicContact CG1-CG1 3.62Å; L26-V198 CarbonylContact O-C 3.55Å; L26-V198 WeakPolarHBondContact O-CA 3.32Å; R27-V198 HydrophobicContact CG-CG2 4.36Å; A82-V198 HydrophobicContact CB-CB 3.81Å; A82-V198 HydrophobicContact CB-CG1 4.11Å; A82-V198 HydrophobicContact CB-CG2 3.87Å; L186-V198 PolarHBondContact N-O 2.78Å; L186-V198 PolarHBondContact O-N 3.41Å
199	A	64.9	Low	63.2	Low	1 Å²	1	53 Å²	53	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	147.3	167.5	0	0	0	0	0	109.4	L26 M180 L185	L26-A199 HydrophobicContact CB-CB 3.92Å; L26-A199 PolarHBondContact O-N 2.88Å; M180-A199 HydrophobicContact CE-CB 3.98Å; L185-A199 HydrophobicContact CD2-CB 3.5Å; L185-A199 VanDerWaalsContact CD2-CB 3.5Å
200	D	61.7	Low	61.8	Low	54 Å²	54	58.1 Å²	58.1	29%	0.289	30%	0.302	S	S	.	.			trans	-55.7	154.4	171	-158.6	0	0	0	0	110.8	C202	D200-C202 PolarHBondContact O-N 2.81Å; D200-C202 VanDerWaalsContact O-N 3.11Å; D200-C202 PolarHBondContact O-SG 3.24Å
201	A	60.1	Low	60.3	Low	5 Å²	5	60.3 Å²	60.3	4%	0.041	31%	0.307	C	S	.	.			trans	-66.5	114	-179.6	0	0	0	0	0	110.1	V25 L91	V25-A201 HydrophobicContact CG2-CB 3.65Å; L91-A201 HydrophobicContact CD1-CB 3.59Å; L91-A201 HydrophobicContact CD2-CB 3.78Å; L91-A201 HydrophobicContact CG-CB 4.25Å
202	C	64.1	Low	58.6	Low	24 Å²	24	59.9 Å²	59.9	16%	0.162	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-112.4	166.5	-176.5	-62.8	0	0	0	0	110.4	P23 V24 D200 F206	P23-C202 CarbonylContact C-O 3.59Å; P23-C202 WeakPolarHBondContact CA-O 3.18Å; V24-C202 PolarHBondContact N-O 3.06Å; V24-C202 PolarHBondContact O-N 2.79Å; D200-C202 PolarHBondContact O-N 2.81Å; D200-C202 VanDerWaalsContact O-N 3.11Å; D200-C202 PolarHBondContact O-SG 3.24Å; C202-F206 HydrophobicContact CB-CB 3.68Å; C202-F206 HydrophobicContact CB-CD1 4.43Å; C202-F206 HydrophobicContact CB-CD2 4.22Å; C202-F206 HydrophobicContact CB-CG 3.84Å
203	D	61.5	Low	57	Low	75 Å²	75	57 Å²	57	40%	0.401	29%	0.289	S	S	.	.			trans	-74.1	166.4	170.4	66.9	-1.5	0	0	0	111.7	S205 F206	D203-S205 PolarHBondContact O-N 3.45Å; D203-S205 VanDerWaalsContact O-N 3.16Å; D203-S205 PolarHBondContact OD1-N 3.03Å; D203-S205 PolarHBondContact OD1-OG 3.26Å; D203-S205 VanDerWaalsContact OD2-CB 3.31Å; D203-S205 WeakPolarHBondContact OD2-CB 3.43Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; D203-F206 VanDerWaalsContact O-CB 3.23Å; D203-F206 WeakPolarHBondContact O-CB 3.32Å; D203-F206 PolarHBondContact O-N 3.06Å; D203-F206 VanDerWaalsContact O-N 3.17Å; D203-F206 PolarHBondContact OD1-N 3.22Å
204	E	56	Low	55.3	Low	54 Å²	54	57.4 Å²	57.4	25%	0.252	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-60.7	-22	173.7	-80.4	-96.3	147	0	0	112.1	V24 R99 F206 L207	V24-E204 HydrophobicContact CG2-CB 4.38Å; V24-E204 HydrophobicContact CG2-CG 3.69Å; V24-E204 WeakPolarHBondContact CG2-OE1 3.37Å; R99-E204 WeakPolarHBondContact CD-OE1 3.39Å; R99-E204 IonicContact CZ-OE1 3.77Å; R99-E204 IonicContact NE-OE1 3.84Å; R99-E204 IonicContact NH1-OE1 3.93Å; R99-E204 PolarHBondContact NH1-OE1 3.01Å; R99-E204 IonicContact NH1-OE2 2.82Å; R99-E204 PolarHBondContact NH1-OE2 3Å; E204-F206 PolarHBondContact O-N 3.41Å; E204-L207 WeakPolarHBondContact O-CB 3.38Å; E204-L207 PolarHBondContact O-N 3.25Å
205	S	52.6	Low	53.5	Low	78 Å²	78	59.9 Å²	59.9	55%	0.545	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-64.9	-27.3	178.7	94.3	0	0	0	0	112	D203 L207 N208	D203-S205 PolarHBondContact O-N 3.45Å; D203-S205 VanDerWaalsContact O-N 3.16Å; D203-S205 PolarHBondContact OD1-N 3.03Å; D203-S205 PolarHBondContact OD1-OG 3.26Å; D203-S205 VanDerWaalsContact OD2-CB 3.31Å; D203-S205 WeakPolarHBondContact OD2-CB 3.43Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; S205-L207 PolarHBondContact O-N 2.89Å; S205-N208 WeakPolarHBondContact O-CA 3.48Å; S205-N208 WeakPolarHBondContact O-CB 3.33Å; S205-N208 PolarHBondContact O-N 2.7Å
206	F	51.1	Low	51.7	Low	36 Å²	36	61.8 Å²	61.8	16%	0.158	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-54.5	-32.8	170.3	-174.7	-94.9	0	0	0	113.5	L26 M180 N181 V183 C202 D203 E204 N208	L26-F206 HydrophobicContact CD1-CD1 3.81Å; L26-F206 HydrophobicContact CD1-CE1 3.49Å; L26-F206 VanDerWaalsContact CD1-CE1 3.49Å; M180-F206 HydrophobicContact CE-CE1 3.98Å; M180-F206 HydrophobicContact CE-CZ 4.33Å; N181-F206 HydrophobicContact CB-CE2 4.43Å; N181-F206 HydrophobicContact CB-CZ 4.14Å; V183-F206 HydrophobicContact CB-CE2 4.22Å; V183-F206 HydrophobicContact CB-CZ 4.41Å; V183-F206 HydrophobicContact CG2-CD2 4.49Å; V183-F206 HydrophobicContact CG2-CE2 3.57Å; V183-F206 HydrophobicContact CG2-CZ 4.23Å; C202-F206 HydrophobicContact CB-CB 3.68Å; C202-F206 HydrophobicContact CB-CD1 4.43Å; C202-F206 HydrophobicContact CB-CD2 4.22Å; C202-F206 HydrophobicContact CB-CG 3.84Å; D203-F206 VanDerWaalsContact O-CB 3.23Å; D203-F206 WeakPolarHBondContact O-CB 3.32Å; D203-F206 PolarHBondContact O-N 3.06Å; D203-F206 VanDerWaalsContact O-N 3.17Å; D203-F206 PolarHBondContact OD1-N 3.22Å; E204-F206 PolarHBondContact O-N 3.41Å; F206-N208 PolarHBondContact O-N 2.87Å
207	L	52.9	Low	49.9	Very low	21 Å²	21	65.4 Å²	65.4	11%	0.11	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-77.8	-10	177.7	-57.9	178.2	0	0	0	113.3	V24 L26 I101 E204 S205 W209	V24-L207 HydrophobicContact CG1-CD1 4.18Å; V24-L207 HydrophobicContact CG1-CD2 4.49Å; V24-L207 HydrophobicContact CG1-CG 4.47Å; V24-L207 HydrophobicContact CG2-CD1 4.4Å; L26-L207 HydrophobicContact CD1-CD2 4.05Å; L26-L207 HydrophobicContact CD2-CD2 4.09Å; I101-L207 HydrophobicContact CD1-CD1 3.69Å; I101-L207 HydrophobicContact CD1-CD2 4.29Å; E204-L207 WeakPolarHBondContact O-CB 3.38Å; E204-L207 PolarHBondContact O-N 3.25Å; S205-L207 PolarHBondContact O-N 2.89Å; L207-W209 VanDerWaalsContact C-N 3.26Å; L207-W209 VanDerWaalsContact CB-CD1 3.41Å; L207-W209 PolarHBondContact O-N 3.46Å
208	N	47.6	Very low	48.2	Very low	40 Å²	40	70.9 Å²	70.9	21%	0.214	37%	0.367	C	S	.	.			trans	21.7	59.9	179.7	-161.2	6.6	0	0	0	115.1	S205 F206 D210 M211	S205-N208 WeakPolarHBondContact O-CA 3.48Å; S205-N208 WeakPolarHBondContact O-CB 3.33Å; S205-N208 PolarHBondContact O-N 2.7Å; F206-N208 PolarHBondContact O-N 2.87Å; N208-D210 VanDerWaalsContact C-N 3.29Å; N208-M211 PolarHBondContact ND2-SD 2.88Å; N208-M211 WeakPolarHBondContact OD1-CB 3.21Å; N208-M211 WeakPolarHBondContact OD1-CG 3.48Å; N208-M211 PolarHBondContact OD1-N 2.94Å
209	W	43.6	Very low	46.3	Very low	154 Å²	154	74.5 Å²	74.5	58%	0.583	39%	0.385	S	S	*	.			trans	-70.6	-29.4	179.3	-68.1	88.4	0	0	0	112.1	L207	L207-W209 VanDerWaalsContact C-N 3.26Å; L207-W209 VanDerWaalsContact CB-CD1 3.41Å; L207-W209 PolarHBondContact O-N 3.46Å
210	D	38.6	Very low	44.7	Very low	133 Å²	133	82 Å²	82	71%	0.711	42%	0.418	S	S	*	.	S	Bend	trans	-92.7	-29.8	-163.5	-109.8	-0.6	0	0	0	114.6	N208 M212 T213	N208-D210 VanDerWaalsContact C-N 3.29Å; D210-M212 PolarHBondContact O-N 3.2Å; D210-T213 PolarHBondContact O-N 3.25Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 PolarHBondContact O-OG1 3.39Å; D210-T213 VanDerWaalsContact O-OG1 3.04Å
211	M	34.4	Very low	43.1	Very low	115 Å²	115	83.4 Å²	83.4	57%	0.567	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.2	-176.1	-75.6	178.8	51.1	0	0	114.5	N208	N208-M211 PolarHBondContact ND2-SD 2.88Å; N208-M211 WeakPolarHBondContact OD1-CB 3.21Å; N208-M211 WeakPolarHBondContact OD1-CG 3.48Å; N208-M211 PolarHBondContact OD1-N 2.94Å
212	M	35.7	Very low	41.5	Very low	61 Å²	61	91.8 Å²	91.8	30%	0.3	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.8	176.8	-62.7	-172.2	-151.5	0	0	113.8	V43 P44 C47 D210 I216	V43-M212 HydrophobicContact CG1-CE 4.18Å; V43-M212 HydrophobicContact CG1-SD 4.1Å; P44-M212 HydrophobicContact CG-CE 4.49Å; P44-M212 HydrophobicContact CG-SD 4.1Å; C47-M212 HydrophobicContact CB-SD 4.34Å; C47-M212 PolarHBondContact SG-SD 3.05Å; D210-M212 PolarHBondContact O-N 3.2Å; M212-I216 WeakPolarHBondContact O-CD1 3.44Å; M212-I216 WeakPolarHBondContact O-CG1 3.48Å
213	T	34.7	Very low	39.7	Very low	79 Å²	79	99.3 Å²	99.3	49%	0.485	51%	0.505	S	S	.	.	H	α-helix	trans	-76.4	-34.8	-178.3	-26.9	0	0	0	0	112.2	D210	D210-T213 PolarHBondContact O-N 3.25Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 PolarHBondContact O-OG1 3.39Å; D210-T213 VanDerWaalsContact O-OG1 3.04Å
214	D	36.9	Very low	37.9	Very low	131 Å²	131	104.6 Å²	104.6	70%	0.701	53%	0.53	S	S	*	.	H	α-helix	trans	-78.6	-39.4	-177.8	-75.5	-19.1	0	0	0	112.3	I216 N217	D214-I216 PolarHBondContact O-N 3.32Å; D214-N217 PolarHBondContact O-N 3.33Å; D214-N217 VanDerWaalsContact O-N 3.13Å
215	D	36.3	Very low	36.6	Very low	109 Å²	109	108.9 Å²	108.9	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-20.5	176.2	-78.7	-12.2	0	0	0	113.1	M219	D215-M219 PolarHBondContact O-N 2.99Å
216	I	37.1	Very low	35.4	Very low	45 Å²	45	108.1 Å²	108.1	23%	0.231	56%	0.564	C	S	.	*	H	α-helix	trans	-71	-32	175.3	-71.3	166.7	0	0	0	111.7	K46 M212 D214 E218 M219 F220	K46-I216 HydrophobicContact CB-CD1 4.18Å; M212-I216 WeakPolarHBondContact O-CD1 3.44Å; M212-I216 WeakPolarHBondContact O-CG1 3.48Å; D214-I216 PolarHBondContact O-N 3.32Å; I216-E218 VanDerWaalsContact C-N 3.33Å; I216-M219 PolarHBondContact O-N 3.04Å; I216-F220 HydrophobicContact CG2-CE2 3.99Å; I216-F220 WeakPolarHBondContact O-CD2 3.37Å; I216-F220 WeakPolarHBondContact O-CE2 3.31Å
217	N	34.9	Very low	34.3	Very low	129 Å²	129	115.9 Å²	115.9	69%	0.69	60%	0.598	S	S	*	*	H	α-helix	trans	-70.5	-31.9	178.1	-85.7	-21.5	0	0	0	111.9	D214	D214-N217 PolarHBondContact O-N 3.33Å; D214-N217 VanDerWaalsContact O-N 3.13Å
218	E	37.3	Very low	33.1	Very low	142 Å²	142	121.2 Å²	121.2	66%	0.664	63%	0.634	S	S	*	*	H	α-helix	trans	-82.9	-19.7	177.6	-64.2	-154.2	172.2	0	0	113.1	I216 F220 A221	I216-E218 VanDerWaalsContact C-N 3.33Å; E218-F220 PolarHBondContact O-N 3.17Å; E218-A221 PolarHBondContact O-N 3.34Å
219	M	30.8	Very low	32.3	Very low	78 Å²	78	122.6 Å²	122.6	38%	0.384	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-5.2	-179.5	-130.6	-174	-67.2	0	0	115.1	R49 D215 I216	R49-M219 PolarHBondContact NH2-O 2.69Å; D215-M219 PolarHBondContact O-N 2.99Å; I216-M219 PolarHBondContact O-N 3.04Å
220	F	31.5	Very low	31.5	Very low	160 Å²	160	120.8 Å²	120.8	70%	0.702	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-2.1	175.1	-73.5	-75.9	0	0	0	114	I216 E218	I216-F220 HydrophobicContact CG2-CE2 3.99Å; I216-F220 WeakPolarHBondContact O-CD2 3.37Å; I216-F220 WeakPolarHBondContact O-CE2 3.31Å; E218-F220 PolarHBondContact O-N 3.17Å
221	A	27.4	Very low	30.9	Very low	83 Å²	83	123.9 Å²	123.9	69%	0.686	68%	0.675	S	S	*	*			trans	-88.3	1.1	-174.9	0	0	0	0	0	115.4	E218 E223	E218-A221 PolarHBondContact O-N 3.34Å; A221-E223 PolarHBondContact O-N 3.16Å
222	F	26.2	Very low	30.8	Very low	180 Å²	180	123.9 Å²	123.9	79%	0.789	68%	0.681	S	S	*	*			trans	-91.9	108	177.9	-73.9	-78.7	0	0	0	111.7
223	E	25.9	Very low	30.5	Very low	182 Å²	182	127.5 Å²	127.5	85%	0.85	70%	0.702	S	S	*	*			trans	-61.6	135.6	168.4	-153.7	166.4	-159.8	0	0	109.7	A221 V225	A221-E223 PolarHBondContact O-N 3.16Å; E223-V225 PolarHBondContact O-N 3.43Å
224	M	23.9	Very low	30.3	Very low	186 Å²	186	130.2 Å²	130.2	92%	0.916	71%	0.714	S	S	*	*			trans	-66.3	101.2	179.9	-77.4	-171.1	-74.4	0	0	109.5	G226	M224-G226 PolarHBondContact O-N 2.67Å
225	V	29.2	Very low	29.8	Very low	144 Å²	144	135.8 Å²	135.8	87%	0.873	73%	0.725	S	S	*	*			trans	-67.6	119.6	162	-178.8	0	0	0	0	106.9	E223	E223-V225 PolarHBondContact O-N 3.43Å
226	G	27	Very low	29.6	Very low	63 Å²	63	134.6 Å²	134.6	65%	0.649	73%	0.725	S	S	*	*			trans	-54.4	156.2	-174.9	0	0	0	0	0	113.5	M224	M224-G226 PolarHBondContact O-N 2.67Å
227	K	28.8	Very low	29.2	Very low	199 Å²	199	138.4 Å²	138.4	87%	0.865	76%	0.756	S	S	*	*			trans	-44.6	148.3	-174.8	-72.6	176.9	174	179.3	0	114	G229	K227-G229 VanDerWaalsContact C-N 3.29Å; K227-G229 PolarHBondContact O-N 3.08Å
228	P	27.7	Very low	29.1	Very low	133 Å²	133	138.1 Å²	138.1	86%	0.864	76%	0.763	S	S	*	*			trans	-72	85.4	172.5	31.6	-32.2	0	0	0	109.1	S230	P228-S230 PolarHBondContact O-N 2.83Å
229	G	29.8	Very low	28.9	Very low	68 Å²	68	134.4 Å²	134.4	70%	0.701	76%	0.763	S	S	*	*			trans	-80	100.5	165.1	0	0	0	0	0	108.2	K227 F231	K227-G229 VanDerWaalsContact C-N 3.29Å; K227-G229 PolarHBondContact O-N 3.08Å; G229-F231 PolarHBondContact O-N 3.26Å; G229-F231 VanDerWaalsContact O-N 3.11Å
230	S	27	Very low	29	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	79%	0.787	S	S	*	*			trans	-52.5	109.6	163.8	53.1	0	0	0	0	109.5	P228	P228-S230 PolarHBondContact O-N 2.83Å
231	F	27.1	Very low	29.3	Very low	198 Å²	198	139.8 Å²	139.8	87%	0.868	79%	0.794	S	S	*	*			trans	-133	130.8	159.3	-155.9	-99.5	0	0	0	108.9	G229	G229-F231 PolarHBondContact O-N 3.26Å; G229-F231 VanDerWaalsContact O-N 3.11Å
232	V	32.8	Very low	29.7	Very low	115 Å²	115	143.2 Å²	143.2	70%	0.697	80%	0.801	S	S	*	*			trans	-75.9	150.5	-167.7	179.9	0	0	0	0	109.4	D234	V232-D234 PolarHBondContact O-N 3.2Å
233	D	27.5	Very low	30.4	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	80%	0.804	S	S	*	*			trans	-39.3	121.8	174.8	-62.5	-69.2	0	0	0	113.7
234	D	30.8	Very low	30.9	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	80%	0.795	S	S	*	*			trans	-132	93.1	154.6	-155.5	12.7	0	0	0	108	V232 S236	V232-D234 PolarHBondContact O-N 3.2Å; D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 3.46Å; D234-S236 VanDerWaalsContact O-N 3.13Å
235	W	26.2	Very low	31.6	Very low	248 Å²	248	137 Å²	137	94%	0.939	79%	0.788	S	S	*	*			trans	-77.7	81.6	168.1	-83.3	32.2	0	0	0	108
236	S	33.5	Very low	32.1	Very low	83 Å²	83	137 Å²	137	58%	0.58	78%	0.783	S	S	*	*			trans	-108.4	105.3	168.9	67.1	0	0	0	0	110.1	D234 C238	D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 3.46Å; D234-S236 VanDerWaalsContact O-N 3.13Å; S236-C238 PolarHBondContact O-N 3.29Å
237	S	29.1	Very low	32.8	Very low	126 Å²	126	139 Å²	139	88%	0.881	79%	0.787	S	S	*	*			trans	-51.6	112.1	167.2	-167.1	0	0	0	0	111.1
238	C	32.1	Very low	33.2	Very low	123 Å²	123	136.1 Å²	136.1	83%	0.831	78%	0.781	S	S	*	*			trans	-132.7	110	159.2	-75.1	0	0	0	0	103.4	S236	S236-C238 PolarHBondContact O-N 3.29Å
239	G	32.3	Very low	33.5	Very low	64 Å²	64	134.7 Å²	134.7	66%	0.66	78%	0.78	S	S	*	*				106.3	100.1	65.3	0	0	0	0	0	104.8	E241	G239-E241 PolarHBondContact O-N 3.15Å
240	D	32.7	Very low	33.8	Very low	167 Å²	167	138.7 Å²	138.7	89%	0.893	78%	0.781	S	S	*	*			trans	-56.4	120.4	178.9	-56	-68.4	0	0	0	110.4
241	E	38.7	Very low	34.4	Very low	184 Å²	184	139.7 Å²	139.7	86%	0.86	78%	0.777	S	S	*	*			trans	-125	98.6	160	-75.1	-174.6	169.9	0	0	107.3	G239 D243	G239-E241 PolarHBondContact O-N 3.15Å; E241-D243 PolarHBondContact O-N 3.35Å
242	D	35.3	Very low	34.9	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	78%	0.779	S	S	*	*			trans	-52.7	120.9	155.9	-73.3	-55	0	0	0	108.5
243	D	40.6	Very low	35.4	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	79%	0.788	S	S	*	*			trans	-144.8	125	147.7	-96.2	-34.7	0	0	0	110.8	E241	E241-D243 PolarHBondContact O-N 3.35Å
244	S	36.1	Very low	35.8	Very low	95 Å²	95	149.4 Å²	149.4	66%	0.664	79%	0.793	S	S	*	*			trans	-70	171.4	-178.8	42.5	0	0	0	0	113.7
245	E	38.8	Very low	36.2	Very low	163 Å²	163	149.2 Å²	149.2	76%	0.762	79%	0.792	S	S	*	*			trans	111.7	123.3	146.8	-52.1	-163.8	155.4	0	0	117
246	D	39.7	Very low	36.9	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	78%	0.781	S	S	*	*			trans	78.6	129.9	150.9	-61.2	-17.2	0	0	0	118.4
247	S	42.2	Very low	37.1	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	79%	0.789	S	S	*	*			cis	-170.6	122.1	4.4	30.2	0	0	0	0	108.7
248	N	36.7	Very low	37.7	Very low	139 Å²	139	148.7 Å²	148.7	74%	0.743	79%	0.785	S	S	*	*			trans	20.4	104	137.8	-166	29.5	0	0	0	118.5	E250	N248-E250 PolarHBondContact OD1-N 2.81Å
249	A	33.7	Very low	38	Very low	103 Å²	103	149.2 Å²	149.2	85%	0.851	78%	0.779	S	S	*	*			trans	-132.7	54.7	153.7	0	0	0	0	0	109.8
250	E	37.5	Very low	38.4	Very low	152 Å²	152	154.2 Å²	154.2	71%	0.71	79%	0.786	S	S	*	*			trans	-112	149.4	168.2	-77.7	-68.8	157.3	0	0	109.4	N248	N248-E250 PolarHBondContact OD1-N 2.81Å
251	N	39.6	Very low	38.6	Very low	138 Å²	138	154 Å²	154	74%	0.738	78%	0.779	S	S	*	*			trans	89.6	93	174.4	-56.5	-42.4	0	0	0	118.2
252	Y	37.2	Very low	38.3	Very low	229 Å²	229	150.9 Å²	150.9	90%	0.898	78%	0.778	S	S	*	*			trans	-161.5	53.8	139	-112.3	-75.9	0	0	0	112.7
253	F	42	Very low	38.5	Very low	205 Å²	205	151.1 Å²	151.1	90%	0.899	77%	0.774	S	S	*	*			trans	-136.3	94.8	152.1	-86.8	-78.5	0	0	0	109.1	N255	F253-N255 PolarHBondContact O-N 3.19Å
254	R	37.8	Very low	38.4	Very low	220 Å²	220	150.4 Å²	150.4	83%	0.83	77%	0.77	S	S	*	*			trans	-72.7	106.2	175.2	-171.1	179.2	-172.7	127.9	0.8	107.5	D256	R254-D256 IonicContact NE-OD1 3.76Å; R254-D256 PolarHBondContact O-N 3.16Å
255	N	38.1	Very low	38.6	Very low	132 Å²	132	153.7 Å²	153.7	71%	0.706	78%	0.78	S	S	*	*			trans	-79.4	104.1	167.3	-77.2	-11.3	0	0	0	107.7	F253 Y257	F253-N255 PolarHBondContact O-N 3.19Å; N255-Y257 HydrophobicContact CB-CD2 4.19Å; N255-Y257 PolarHBondContact O-N 3.09Å; N255-Y257 VanDerWaalsContact O-N 3.14Å
256	D	41.9	Very low	38.6	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	78%	0.78	S	S	*	*			trans	-76.6	93.1	165.5	-69.3	-37	0	0	0	107.7	R254	R254-D256 IonicContact NE-OD1 3.76Å; R254-D256 PolarHBondContact O-N 3.16Å
257	Y	37.9	Very low	38.4	Very low	188 Å²	188	151 Å²	151	74%	0.737	78%	0.783	S	S	*	*			trans	-82.1	127.6	164.5	-99.8	-96.2	0	0	0	108.8	N255	N255-Y257 HydrophobicContact CB-CD2 4.19Å; N255-Y257 PolarHBondContact O-N 3.09Å; N255-Y257 VanDerWaalsContact O-N 3.14Å
258	P	41.7	Very low	38.3	Very low	122 Å²	122	152.5 Å²	152.5	79%	0.792	79%	0.788	S	S	*	*			trans	-83.8	104.7	152.2	29.2	-20.9	0	0	0	107.8
259	D	36.9	Very low	38	Very low	134 Å²	134	151.6 Å²	151.6	72%	0.717	79%	0.793	S	S	*	*			trans	-60.3	147.6	151.1	-62.3	-50.3	0	0	0	108.1
260	E	40.4	Very low	38	Very low	170 Å²	170	149.6 Å²	149.6	79%	0.794	78%	0.782	S	S	*	*			trans	169.3	136.1	139.4	-79.6	-99	-179.4	0	0	110
261	E	36.8	Very low	37.8	Very low	162 Å²	162	147.7 Å²	147.7	76%	0.757	79%	0.786	S	S	*	*			trans	81.5	77	158.2	-64.2	171	-173.3	0	0	118.6
262	S	32.6	Very low	37.2	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	79%	0.791	S	S	*	*			trans	-69.7	117.8	143.4	53.1	0	0	0	0	110.4
263	E	40.1	Very low	37	Very low	161 Å²	161	141.6 Å²	141.6	75%	0.752	79%	0.787	S	S	*	*			trans	-141.9	120.4	161.5	-95.7	175.2	-177.9	0	0	110.6
264	D	39.5	Very low	36.3	Very low	145 Å²	145	139.5 Å²	139.5	78%	0.775	79%	0.786	S	S	*	*			trans	81.3	88.9	143	-55.1	-21	0	0	0	120.6	A266	D264-A266 PolarHBondContact O-N 3.29Å
265	D	38.4	Very low	36.1	Very low	163 Å²	163	133.4 Å²	133.4	87%	0.872	78%	0.782	S	S	*	*			trans	-48.2	120	144.1	-64.3	-57.2	0	0	0	111.4
266	A	40.3	Very low	35.5	Very low	92 Å²	92	132.4 Å²	132.4	76%	0.76	79%	0.785	S	S	*	*			trans	-128	84.7	163.9	0	0	0	0	0	109.4	D264 V268	D264-A266 PolarHBondContact O-N 3.29Å; A266-V268 PolarHBondContact O-N 3.03Å
267	D	35.5	Very low	35	Very low	157 Å²	157	133.6 Å²	133.6	84%	0.84	79%	0.791	S	S	*	*			trans	-59.2	114	162.2	-79.9	-42.2	0	0	0	110.1
268	V	38.6	Very low	34.6	Very low	136 Å²	136	133.1 Å²	133.1	82%	0.824	80%	0.795	S	S	*	*			trans	-125.9	83.9	159.7	-176.2	0	0	0	0	108.6	A266	A266-V268 PolarHBondContact O-N 3.03Å
269	S	32.1	Very low	33.9	Very low	120 Å²	120	138.6 Å²	138.6	84%	0.839	80%	0.8	S	S	*	*			trans	-74.6	112	159.7	56.5	0	0	0	0	109.4
270	G	33.9	Very low	33.6	Very low	61 Å²	61	138.4 Å²	138.4	63%	0.629	81%	0.806	S	S	*	*			trans	-137.8	102.2	176.7	0	0	0	0	0	113.3
271	S	31.5	Very low	33	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	81%	0.805	S	S	*	*			trans	32.7	108.5	147.3	58.6	0	0	0	0	118.5
272	S	27.1	Very low	32.5	Very low	122 Å²	122	138.9 Å²	138.9	85%	0.853	81%	0.806	S	S	*	*				41.2	99.4	85.9	179.7	0	0	0	0	114.9
273	S	34	Very low	32.2	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	80%	0.801	S	S	*	*			trans	-160.4	123.2	138.6	45.9	0	0	0	0	111.5
274	D	27.6	Very low	31.6	Very low	162 Å²	162	138 Å²	138	87%	0.866	81%	0.805	S	S	*	*			trans	-54.7	136.1	165.7	-92.8	-45.9	0	0	0	112.2
275	A	33.6	Very low	31.1	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	81%	0.814	S	S	*	*			trans	-152.9	85.5	152.6	0	0	0	0	0	110.8	L277	A275-L277 PolarHBondContact O-N 3.04Å
276	S	25.7	Very low	30.7	Very low	111 Å²	111	144.4 Å²	144.4	78%	0.776	81%	0.812	S	S	*	*			trans	-28.7	112	154.4	-41.9	0	0	0	0	114.4
277	L	31.2	Very low	29.9	Very low	161 Å²	161	147.2 Å²	147.2	84%	0.843	81%	0.814	S	S	*	*			trans	-137.3	91.1	158.6	-106.7	130.2	0	0	0	111.3	A275	A275-L277 PolarHBondContact O-N 3.04Å
278	Q	29.6	Very low	29.6	Very low	178 Å²	178	151.4 Å²	151.4	83%	0.832	82%	0.818	S	S	*	*			trans	21	117.7	143.8	-71.8	171.8	-19.8	0	0	119.3
279	R	25.7	Very low	29	Very low	238 Å²	238	150.6 Å²	150.6	90%	0.898	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-48.5	132.9	157.9	-65.6	173.3	175.4	-178.7	-2.7	112.5
280	P	31.9	Very low	28.7	Very low	129 Å²	129	150.1 Å²	150.1	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82	126.5	146.7	8.2	10	0	0	0	108.9
281	K	27.2	Very low	28.4	Very low	176 Å²	176	153.2 Å²	153.2	77%	0.765	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-77.7	150.5	167.4	-76.6	-179.2	173.7	-178.8	0	110.1
282	E	26.2	Very low	28.2	Very low	167 Å²	167	155.6 Å²	155.6	78%	0.78	82%	0.817	S	S	*	*			trans	65.7	111.8	147.1	-68.7	163.4	-151.1	0	0	118.3
283	S	27.3	Very low	28.1	Very low	104 Å²	104	157.2 Å²	157.2	73%	0.727	82%	0.816	S	S	*	*				165.3	114.8	100.2	49.6	0	0	0	0	112.3
284	N	27.4	Very low	27.6	Very low	157 Å²	157	156.3 Å²	156.3	84%	0.84	81%	0.809	S	S	*	*			trans	31.5	94	137.5	-63.8	-37.1	0	0	0	118.7
285	F	29.2	Very low	27.5	Very low	217 Å²	217	155 Å²	155	95%	0.952	81%	0.806	S	S	*	*			trans	-110	114	143.2	-107.7	-88.8	0	0	0	110.6
286	R	28.6	Very low	27.1	Very low	224 Å²	224	157.7 Å²	157.7	85%	0.845	81%	0.808	S	S	*	*			trans	-65.3	137.7	-176.5	-94.5	171.2	158.3	161.5	-7.2	113.1
287	L	24.5	Very low	27	Very low	152 Å²	152	159.3 Å²	159.3	80%	0.796	81%	0.813	S	S	*	*			trans	9	121.4	144.8	-70.4	95.6	0	0	0	118.7
288	R	29.2	Very low	26.6	Very low	245 Å²	245	154.1 Å²	154.1	93%	0.925	80%	0.799	S	S	*	*			trans	-109.4	96.7	136.8	-85.1	-173.3	171.9	-177.2	-1.8	109.1	S290	R288-S290 PolarHBondContact O-N 3.25Å
289	T	26.2	Very low	26.3	Very low	118 Å²	118	150.7 Å²	150.7	72%	0.724	79%	0.794	S	S	*	*			trans	7.8	98	149.9	50.2	0	0	0	0	116.9
290	S	25.8	Very low	26.2	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	79%	0.794	S	S	*	*			trans	-76.5	120.9	151	179.5	0	0	0	0	107.8	R288 M292	R288-S290 PolarHBondContact O-N 3.25Å; S290-M292 PolarHBondContact O-N 2.88Å
291	V	27.4	Very low	26	Very low	126 Å²	126	152.7 Å²	152.7	76%	0.764	80%	0.797	S	S	*	*			trans	-74.1	84.8	172.3	177.8	0	0	0	0	106.9	L293	V291-L293 HydrophobicContact CG1-CG 4.49Å; V291-L293 PolarHBondContact O-N 3.11Å
292	M	27.5	Very low	25.8	Very low	163 Å²	163	156.3 Å²	156.3	80%	0.803	81%	0.806	S	S	*	*			trans	-73.7	102.2	162.6	-112	-158.9	166.7	0	0	107.7	S290 S294	S290-M292 PolarHBondContact O-N 2.88Å; M292-S294 PolarHBondContact O-N 3.21Å
293	L	24	Very low	26.1	Very low	156 Å²	156	151.8 Å²	151.8	82%	0.817	80%	0.804	S	S	*	*			trans	-63.5	89.8	160.3	-79.4	159.9	0	0	0	107.5	V291 V295	V291-L293 HydrophobicContact CG1-CG 4.49Å; V291-L293 PolarHBondContact O-N 3.11Å; L293-V295 PolarHBondContact O-N 3.36Å; L293-V295 VanDerWaalsContact O-N 3.16Å
294	S	24.7	Very low	26.1	Very low	98 Å²	98	156 Å²	156	69%	0.685	81%	0.81	S	S	*	*			trans	-69.5	105.7	169.9	-66.8	0	0	0	0	108.2	M292 N296	M292-S294 PolarHBondContact O-N 3.21Å; S294-N296 VanDerWaalsContact C-N 3.32Å; S294-N296 PolarHBondContact O-N 2.85Å
295	V	24.1	Very low	26.4	Very low	133 Å²	133	155.2 Å²	155.2	81%	0.806	81%	0.805	S	S	*	*			trans	-69.9	96.9	164	-172.5	0	0	0	0	106.1	L293 V297	L293-V295 PolarHBondContact O-N 3.36Å; L293-V295 VanDerWaalsContact O-N 3.16Å; V295-V297 PolarHBondContact O-N 3.37Å
296	N	25	Very low	26.6	Very low	148 Å²	148	150.1 Å²	150.1	79%	0.791	80%	0.796	S	S	*	*			trans	-72.1	99.7	-177.9	-160.1	9.8	0	0	0	108.7	S294 G298	S294-N296 VanDerWaalsContact C-N 3.32Å; S294-N296 PolarHBondContact O-N 2.85Å; N296-G298 PolarHBondContact O-N 3.35Å
297	V	24.1	Very low	26.8	Very low	145 Å²	145	143.7 Å²	143.7	88%	0.879	79%	0.791	S	S	*	*			trans	-74.5	74	167.6	-174.4	0	0	0	0	107.3	V295	V295-V297 PolarHBondContact O-N 3.37Å
298	G	23.3	Very low	27.6	Very low	53 Å²	53	146.5 Å²	146.5	55%	0.546	80%	0.797	S	S	.	*			trans	-116.8	95.8	-174.8	0	0	0	0	0	111.9	N296	N296-G298 PolarHBondContact O-N 3.35Å
299	S	23.2	Very low	28	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	79%	0.787	S	S	*	*			trans	54.3	98.7	140	-157.2	0	0	0	0	118.7	R301	S299-R301 PolarHBondContact O-N 3.33Å
300	L	23.2	Very low	28.8	Very low	169 Å²	169	139.8 Å²	139.8	89%	0.885	79%	0.793	S	S	*	*			trans	1	82.2	140.6	-162.5	70.3	0	0	0	115.8
301	R	27.6	Very low	29.7	Very low	240 Å²	240	137.4 Å²	137.4	91%	0.906	78%	0.776	S	S	*	*			trans	-97.1	112.9	161.4	-72	-170.9	178.2	-155.7	-0.3	108.6	S299 G303	S299-R301 PolarHBondContact O-N 3.33Å; R301-G303 VanDerWaalsContact C-N 3.32Å; R301-G303 PolarHBondContact O-N 3.47Å
302	R	24.5	Very low	31.4	Very low	253 Å²	253	135.3 Å²	135.3	96%	0.955	76%	0.763	S	S	*	*			trans	-55.1	93.3	165.8	-80	-179.4	-178.6	-165.6	-0.6	109.2
303	G	31.6	Very low	33.5	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	76%	0.756	S	S	*	*			trans	-104.8	107.4	163.1	0	0	0	0	0	107.9	R301	R301-G303 VanDerWaalsContact C-N 3.32Å; R301-G303 PolarHBondContact O-N 3.47Å
304	K	27.6	Very low	36	Very low	193 Å²	193	131.2 Å²	131.2	84%	0.839	75%	0.745	S	S	*	*			trans	-61.7	149.2	165.2	-131.4	163.2	179.1	174.1	0	108
305	D	34.1	Very low	39.1	Very low	140 Å²	140	131 Å²	131	75%	0.749	73%	0.733	S	S	*	*			trans	110.4	97.2	160.6	-48.9	-24.5	0	0	0	117.4
306	S	32.7	Very low	41.6	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	72%	0.724	S	S	*	*			trans	69.9	106	132.5	62.8	0	0	0	0	121.1
307	A	31.9	Very low	44.3	Very low	90 Å²	90	130.5 Å²	130.5	74%	0.744	72%	0.715	S	S	*	*			trans	57.3	76.3	130.7	0	0	0	0	0	119.1
308	K	41.2	Very low	47.1	Very low	210 Å²	210	126.5 Å²	126.5	91%	0.913	69%	0.693	S	S	*	*			trans	-133.1	56.2	148.4	-73.9	-172.5	179.6	-179.8	0	110.2
309	S	38.1	Very low	49.9	Very low	102 Å²	102	128 Å²	128	71%	0.713	69%	0.689	S	S	*	*			trans	-118.3	96.3	175.6	58.9	0	0	0	0	109.1
310	S	43.3	Very low	52.5	Low	121 Å²	121	125.7 Å²	125.7	85%	0.846	67%	0.672	S	S	*	*	S	Bend	trans	163.5	-9.2	150.6	46.4	0	0	0	0	115.7	V312	S310-V312 PolarHBondContact O-N 2.99Å
311	S	45	Very low	55.4	Low	60 Å²	60	120.2 Å²	120.2	42%	0.42	65%	0.648	S	S	.	*	S	Bend	trans	-79.5	-12.3	-176.1	-161.3	0	0	0	0	115.7	A313 W314 E315	S311-A313 PolarHBondContact O-N 3.16Å; S311-W314 PolarHBondContact O-NE1 3.49Å; S311-W314 VanDerWaalsContact O-NE1 3.1Å; S311-W314 PolarHBondContact OG-NE1 3.11Å; S311-E315 PolarHBondContact OG-OE1 2.89Å
312	V	61.8	Low	58.3	Low	81 Å²	81	111.4 Å²	111.4	49%	0.491	63%	0.626	S	S	.	*	H	α-helix	trans	-72.8	-29.8	-156.2	-178.6	0	0	0	0	114.9	S310 W314 E316	S310-V312 PolarHBondContact O-N 2.99Å; V312-W314 PolarHBondContact O-N 3.41Å; V312-E316 HydrophobicContact CG1-CG 4.21Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.25Å; V312-E316 PolarHBondContact O-N 3.1Å
313	A	72.8	Confident	60.9	Low	79 Å²	79	105.4 Å²	105.4	65%	0.653	61%	0.607	S	S	*	*	H	α-helix	trans	-69.5	-40.1	-167	0	0	0	0	0	114.8	S311 F317	S311-A313 PolarHBondContact O-N 3.16Å; A313-F317 PolarHBondContact O-N 3.44Å
314	W	76.4	Confident	63	Low	154 Å²	154	108.7 Å²	108.7	58%	0.583	60%	0.601	S	S	*	*	H	α-helix	trans	-78.9	-27	-176.7	69.9	-90	0	0	0	112.2	S311 V312 F317 C318	S311-W314 PolarHBondContact O-NE1 3.49Å; S311-W314 VanDerWaalsContact O-NE1 3.1Å; S311-W314 PolarHBondContact OG-NE1 3.11Å; V312-W314 PolarHBondContact O-N 3.41Å; W314-F317 WeakPolarHBondContact O-CB 3.44Å; W314-F317 PolarHBondContact O-N 2.87Å; W314-C318 PolarHBondContact O-N 3.35Å; W314-C318 PolarHBondContact O-SG 3.38Å
315	E	89.1	Confident	65.8	Low	95 Å²	95	101.4 Å²	101.4	44%	0.444	58%	0.577	S	S	.	*	H	α-helix	trans	-67.4	-42.5	175	-66.6	175	-163.2	0	0	110.8	S311 C318 D319	S311-E315 PolarHBondContact OG-OE1 2.89Å; E315-C318 WeakPolarHBondContact O-CB 3.34Å; E315-C318 PolarHBondContact O-N 3.27Å; E315-D319 PolarHBondContact O-N 3.02Å
316	E	77.9	Confident	68.5	Low	130 Å²	130	97.3 Å²	97.3	61%	0.607	56%	0.563	S	S	*	*	H	α-helix	trans	-63.7	-38.9	174.1	-70.7	-179	177.9	0	0	112.3	V312 D319 S320	V312-E316 HydrophobicContact CG1-CG 4.21Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.25Å; V312-E316 PolarHBondContact O-N 3.1Å; E316-D319 PolarHBondContact O-N 3.34Å; E316-S320 WeakPolarHBondContact O-CB 3.43Å; E316-S320 PolarHBondContact O-N 2.88Å
317	F	80.6	Confident	71	Confident	139 Å²	139	99.3 Å²	99.3	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-59.6	-46.5	172.1	166.7	-98.6	0	0	0	111.8	A313 W314 S320 C321	A313-F317 PolarHBondContact O-N 3.44Å; W314-F317 WeakPolarHBondContact O-CB 3.44Å; W314-F317 PolarHBondContact O-N 2.87Å; F317-S320 PolarHBondContact O-N 3.25Å; F317-C321 VanDerWaalsContact CE2-SG 3.51Å; F317-C321 VanDerWaalsContact CZ-SG 3.59Å; F317-C321 WeakPolarHBondContact O-CB 3.46Å; F317-C321 PolarHBondContact O-N 3.04Å; F317-C321 PolarHBondContact O-SG 3.31Å
318	C	83.8	Confident	73.2	Confident	61 Å²	61	98.6 Å²	98.6	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-61.7	-44.3	177.2	-73.5	0	0	0	0	111.9	W314 E315 C321 A322	W314-C318 PolarHBondContact O-N 3.35Å; W314-C318 PolarHBondContact O-SG 3.38Å; E315-C318 WeakPolarHBondContact O-CB 3.34Å; E315-C318 PolarHBondContact O-N 3.27Å; C318-C321 PolarHBondContact O-N 3.39Å; C318-A322 VanDerWaalsContact O-CB 3.29Å; C318-A322 WeakPolarHBondContact O-CB 3.18Å; C318-A322 PolarHBondContact O-N 3Å
319	D	80.8	Confident	75.7	Confident	85 Å²	85	91.5 Å²	91.5	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-43.7	178.3	-175.2	48.4	0	0	0	111.8	E315 E316 A322 K323	E315-D319 PolarHBondContact O-N 3.02Å; E316-D319 PolarHBondContact O-N 3.34Å; D319-A322 PolarHBondContact O-N 3.23Å; D319-K323 WeakPolarHBondContact O-CG 3.17Å; D319-K323 PolarHBondContact O-N 3.44Å; D319-K323 IonicContact OD1-NZ 2.66Å; D319-K323 WeakPolarHBondContact OD2-CE 3.44Å; D319-K323 IonicContact OD2-NZ 3.15Å; D319-K323 PolarHBondContact OD2-NZ 3.38Å
320	S	78	Confident	78.2	Confident	56 Å²	56	89.2 Å²	89.2	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-48	175.9	-167.1	0	0	0	0	111.3	E316 F317 A322 K323 F324	E316-S320 WeakPolarHBondContact O-CB 3.43Å; E316-S320 PolarHBondContact O-N 2.88Å; F317-S320 PolarHBondContact O-N 3.25Å; S320-A322 PolarHBondContact O-N 3.29Å; S320-K323 PolarHBondContact O-N 2.98Å; S320-F324 WeakPolarHBondContact O-CD2 3.4Å; S320-F324 PolarHBondContact O-N 2.82Å
321	C	84.6	Confident	80.3	Confident	54 Å²	54	87.4 Å²	87.4	37%	0.365	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-39.5	177.2	-67	0	0	0	0	112.6	F317 C318 K323 F324 A325	F317-C321 VanDerWaalsContact CE2-SG 3.51Å; F317-C321 VanDerWaalsContact CZ-SG 3.59Å; F317-C321 WeakPolarHBondContact O-CB 3.46Å; F317-C321 PolarHBondContact O-N 3.04Å; F317-C321 PolarHBondContact O-SG 3.31Å; C318-C321 PolarHBondContact O-N 3.39Å; C321-K323 VanDerWaalsContact C-N 3.31Å; C321-K323 PolarHBondContact O-N 2.89Å; C321-F324 PolarHBondContact O-N 2.82Å; C321-A325 WeakPolarHBondContact O-CB 3.42Å; C321-A325 PolarHBondContact O-N 3.34Å
322	A	87.5	Confident	82.4	Confident	55 Å²	55	88 Å²	88	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-39.2	177.8	0	0	0	0	0	111.6	C318 D319 S320 A325 A326	C318-A322 VanDerWaalsContact O-CB 3.29Å; C318-A322 WeakPolarHBondContact O-CB 3.18Å; C318-A322 PolarHBondContact O-N 3Å; D319-A322 PolarHBondContact O-N 3.23Å; S320-A322 PolarHBondContact O-N 3.29Å; A322-A325 PolarHBondContact O-N 2.99Å; A322-A326 WeakPolarHBondContact O-CB 3.15Å; A322-A326 PolarHBondContact O-N 2.83Å
323	K	80.6	Confident	83.8	Confident	128 Å²	128	86.4 Å²	86.4	56%	0.557	46%	0.462	S	S	*	.	H	α-helix	trans	-62.3	-45.9	175.6	-71.9	169	-171.5	161.7	0	112.1	D319 S320 C321 A326 Y327	D319-K323 WeakPolarHBondContact O-CG 3.17Å; D319-K323 PolarHBondContact O-N 3.44Å; D319-K323 IonicContact OD1-NZ 2.66Å; D319-K323 WeakPolarHBondContact OD2-CE 3.44Å; D319-K323 IonicContact OD2-NZ 3.15Å; D319-K323 PolarHBondContact OD2-NZ 3.38Å; S320-K323 PolarHBondContact O-N 2.98Å; C321-K323 VanDerWaalsContact C-N 3.31Å; C321-K323 PolarHBondContact O-N 2.89Å; K323-A326 PolarHBondContact O-N 3.36Å; K323-Y327 PolarHBondContact O-N 3.09Å; K323-Y327 VanDerWaalsContact O-N 3.08Å
324	F	75.8	Confident	84.5	Confident	141 Å²	141	88.7 Å²	88.7	62%	0.618	46%	0.46	S	S	*	.	H	α-helix	trans	-65.4	-47	177	-71.8	-67.8	0	0	0	111.8	S320 C321 A326 Y327 D328	S320-F324 WeakPolarHBondContact O-CD2 3.4Å; S320-F324 PolarHBondContact O-N 2.82Å; C321-F324 PolarHBondContact O-N 2.82Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.86Å; F324-Y327 PolarHBondContact O-N 3.06Å; F324-D328 PolarHBondContact O-N 3.4Å; F324-D328 VanDerWaalsContact O-N 3.09Å
325	A	86	Confident	85.1	Confident	39 Å²	39	86 Å²	86	32%	0.322	46%	0.457	S	S	.	.	H	α-helix	trans	-60.6	-38.3	177.4	0	0	0	0	0	112.2	C321 A322 F329	C321-A325 WeakPolarHBondContact O-CB 3.42Å; C321-A325 PolarHBondContact O-N 3.34Å; A322-A325 PolarHBondContact O-N 2.99Å; A325-F329 WeakPolarHBondContact O-CB 3.46Å; A325-F329 PolarHBondContact O-N 3.45Å
326	A	90.8	Very high	85.2	Confident	55 Å²	55	86.9 Å²	86.9	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-65.8	-41.8	176.3	0	0	0	0	0	112.3	A322 K323 F324 F329 A330	A322-A326 WeakPolarHBondContact O-CB 3.15Å; A322-A326 PolarHBondContact O-N 2.83Å; K323-A326 PolarHBondContact O-N 3.36Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.86Å; A326-F329 PolarHBondContact O-N 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.2Å; A326-A330 PolarHBondContact O-N 3.24Å
327	Y	84.7	Confident	85.8	Confident	150 Å²	150	82 Å²	82	59%	0.588	43%	0.434	S	S	*	.	H	α-helix	trans	-62.3	-46.1	177.1	177.6	-107.4	0	0	0	112.2	K323 F324 A330 Q331	K323-Y327 PolarHBondContact O-N 3.09Å; K323-Y327 VanDerWaalsContact O-N 3.08Å; F324-Y327 PolarHBondContact O-N 3.06Å; Y327-A330 PolarHBondContact O-N 3.02Å; Y327-Q331 VanDerWaalsContact CZ-NE2 3.26Å; Y327-Q331 PolarHBondContact O-N 3.28Å; Y327-Q331 VanDerWaalsContact O-N 3.1Å
328	D	77.5	Confident	86.1	Confident	75 Å²	75	78.9 Å²	78.9	40%	0.401	43%	0.434	S	S	.	.	H	α-helix	trans	-69.1	-39.1	179	-71.4	-17.1	0	0	0	112	F324 Q331 S332	F324-D328 PolarHBondContact O-N 3.4Å; F324-D328 VanDerWaalsContact O-N 3.09Å; D328-Q331 PolarHBondContact O-N 2.92Å; D328-S332 PolarHBondContact O-N 3.46Å; D328-S332 PolarHBondContact O-OG 2.81Å
329	F	93.9	Very high	86.3	Confident	61 Å²	61	83.5 Å²	83.5	27%	0.268	45%	0.45	S	S	.	.	H	α-helix	trans	-66.1	-40.8	176	-175	-118.3	0	0	0	111.8	A325 A326 Q331 S332 W333 V352 F356	A325-F329 WeakPolarHBondContact O-CB 3.46Å; A325-F329 PolarHBondContact O-N 3.45Å; A326-F329 PolarHBondContact O-N 3.31Å; F329-Q331 PolarHBondContact O-N 2.91Å; F329-S332 PolarHBondContact O-N 3.38Å; F329-W333 WeakPolarHBondContact O-CB 3.35Å; F329-W333 PolarHBondContact O-N 3.23Å; F329-V352 HydrophobicContact CE1-CG1 3.78Å; F329-V352 HydrophobicContact CZ-CG1 3.61Å; F329-F356 HydrophobicContact CD1-CB 4.32Å; F329-F356 HydrophobicContact CD1-CD1 4.28Å; F329-F356 HydrophobicContact CD1-CD2 4.3Å; F329-F356 HydrophobicContact CD1-CG 4.03Å; F329-F356 AromaticContact CD2-CD2 3.56Å; F329-F356 HydrophobicContact CD2-CD2 3.56Å; F329-F356 AromaticContact CD2-CE2 3.76Å; F329-F356 HydrophobicContact CD2-CE2 3.76Å; F329-F356 HydrophobicContact CD2-CG 4.13Å; F329-F356 HydrophobicContact CD2-CZ 4.47Å; F329-F356 HydrophobicContact CE1-CB 3.61Å; F329-F356 HydrophobicContact CE1-CD1 4.39Å; F329-F356 HydrophobicContact CE1-CD2 4.17Å; F329-F356 AromaticContact CE1-CG 3.8Å; F329-F356 HydrophobicContact CE1-CG 3.8Å; F329-F356 HydrophobicContact CE2-CB 4.11Å; F329-F356 AromaticContact CE2-CD2 3.43Å; F329-F356 HydrophobicContact CE2-CD2 3.43Å; F329-F356 VanDerWaalsContact CE2-CD2 3.43Å; F329-F356 HydrophobicContact CE2-CE2 4.09Å; F329-F356 AromaticContact CE2-CG 3.93Å; F329-F356 HydrophobicContact CE2-CG 3.93Å; F329-F356 HydrophobicContact CG-CD1 4.49Å; F329-F356 HydrophobicContact CG-CD2 4.02Å; F329-F356 HydrophobicContact CG-CE2 4.14Å; F329-F356 HydrophobicContact CG-CG 4.19Å; F329-F356 HydrophobicContact CG-CZ 4.44Å; F329-F356 HydrophobicContact CZ-CB 3.5Å; F329-F356 AromaticContact CZ-CD2 3.77Å; F329-F356 HydrophobicContact CZ-CD2 3.77Å; F329-F356 AromaticContact CZ-CG 3.77Å; F329-F356 HydrophobicContact CZ-CG 3.77Å
330	A	91.9	Very high	86.8	Confident	55 Å²	55	82.3 Å²	82.3	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-39.6	176.4	0	0	0	0	0	112.5	A326 Y327 W333 H334	A326-A330 WeakPolarHBondContact O-CB 3.2Å; A326-A330 PolarHBondContact O-N 3.24Å; Y327-A330 PolarHBondContact O-N 3.02Å; A330-W333 PolarHBondContact O-N 3.17Å; A330-H334 PolarHBondContact O-N 3.41Å
331	Q	87	Confident	87.2	Confident	83 Å²	83	83.4 Å²	83.4	39%	0.388	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-42.7	173.4	-76.6	179.7	83.7	0	0	112.1	Y327 D328 F329 W333 H334 N335	Y327-Q331 VanDerWaalsContact CZ-NE2 3.26Å; Y327-Q331 PolarHBondContact O-N 3.28Å; Y327-Q331 VanDerWaalsContact O-N 3.1Å; D328-Q331 PolarHBondContact O-N 2.92Å; F329-Q331 PolarHBondContact O-N 2.91Å; Q331-W333 VanDerWaalsContact C-N 3.31Å; Q331-W333 PolarHBondContact O-N 2.77Å; Q331-H334 PolarHBondContact O-N 3.37Å; Q331-N335 PolarHBondContact O-N 3.45Å; Q331-N335 PolarHBondContact O-ND2 2.92Å
332	S	89.3	Confident	87.3	Confident	73 Å²	73	85.8 Å²	85.8	51%	0.51	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-38.7	176.5	-58.1	0	0	0	0	111.6	D328 F329 N335 Y336	D328-S332 PolarHBondContact O-N 3.46Å; D328-S332 PolarHBondContact O-OG 2.81Å; F329-S332 PolarHBondContact O-N 3.38Å; S332-N335 PolarHBondContact O-N 3.2Å; S332-Y336 WeakPolarHBondContact O-CB 3.18Å; S332-Y336 PolarHBondContact O-N 3.34Å
333	W	90.9	Very high	87.3	Confident	46 Å²	46	83.6 Å²	83.6	17%	0.174	44%	0.444	C	S	.	.	H	α-helix	trans	-63.7	-44.5	173	171.9	-121.5	0	0	0	112.3	F329 A330 Q331 N335 Y336 L337 A343 V352	F329-W333 WeakPolarHBondContact O-CB 3.35Å; F329-W333 PolarHBondContact O-N 3.23Å; A330-W333 PolarHBondContact O-N 3.17Å; Q331-W333 VanDerWaalsContact C-N 3.31Å; Q331-W333 PolarHBondContact O-N 2.77Å; W333-N335 VanDerWaalsContact C-N 3.32Å; W333-N335 PolarHBondContact O-N 3.21Å; W333-Y336 AromaticContact CE3-CD1 3.66Å; W333-Y336 HydrophobicContact CE3-CD1 3.66Å; W333-Y336 HydrophobicContact CE3-CE1 4.4Å; W333-Y336 HydrophobicContact CE3-CG 4.31Å; W333-Y336 HydrophobicContact CH2-CD1 4.24Å; W333-Y336 HydrophobicContact CH2-CE1 4.37Å; W333-Y336 AromaticContact CZ3-CD1 3.3Å; W333-Y336 HydrophobicContact CZ3-CD1 3.3Å; W333-Y336 AromaticContact CZ3-CE1 3.62Å; W333-Y336 HydrophobicContact CZ3-CE1 3.62Å; W333-Y336 HydrophobicContact CZ3-CG 4.32Å; W333-Y336 WeakPolarHBondContact O-CB 3.38Å; W333-Y336 PolarHBondContact O-N 3.46Å; W333-Y336 VanDerWaalsContact O-N 3.17Å; W333-L337 HydrophobicContact CD2-CD1 4.22Å; W333-L337 HydrophobicContact CD2-CD2 4.42Å; W333-L337 HydrophobicContact CD2-CG 3.97Å; W333-L337 HydrophobicContact CE3-CD2 4.47Å; W333-L337 HydrophobicContact CE3-CG 4.32Å; W333-L337 HydrophobicContact CH2-CD2 3.44Å; W333-L337 VanDerWaalsContact CH2-CD2 3.44Å; W333-L337 HydrophobicContact CH2-CG 4.07Å; W333-L337 HydrophobicContact CZ2-CD1 3.8Å; W333-L337 HydrophobicContact CZ2-CD2 3.35Å; W333-L337 HydrophobicContact CZ2-CG 3.69Å; W333-L337 HydrophobicContact CZ3-CD2 4.03Å; W333-L337 HydrophobicContact CZ3-CG 4.37Å; W333-L337 WeakPolarHBondContact O-CG 3.37Å; W333-L337 PolarHBondContact O-N 3.13Å; W333-A343 HydrophobicContact CH2-CB 4.42Å; W333-V352 HydrophobicContact CD2-CG1 4.38Å; W333-V352 HydrophobicContact CE3-CG1 4.24Å; W333-V352 HydrophobicContact CE3-CG2 4.42Å; W333-V352 HydrophobicContact CH2-CG2 3.86Å; W333-V352 HydrophobicContact CZ2-CG2 3.99Å; W333-V352 HydrophobicContact CZ3-CG2 4.08Å
334	H	86.6	Confident	87.3	Confident	128 Å²	128	82 Å²	82	59%	0.593	44%	0.441	S	S	*	.	H	α-helix	trans	-59.9	-42.8	175.9	-179.5	-85.1	0	0	0	111.9	A330 Q331 L337 A338	A330-H334 PolarHBondContact O-N 3.41Å; Q331-H334 PolarHBondContact O-N 3.37Å; H334-L337 PolarHBondContact O-N 3.34Å; H334-A338 PolarHBondContact O-N 3.27Å
335	N	89.1	Confident	87.6	Confident	98 Å²	98	82.8 Å²	82.8	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-64.1	-41.3	175.2	-66.7	-20.8	0	0	0	111.6	Q331 S332 W333 L337 A338 E339	Q331-N335 PolarHBondContact O-N 3.45Å; Q331-N335 PolarHBondContact O-ND2 2.92Å; S332-N335 PolarHBondContact O-N 3.2Å; W333-N335 VanDerWaalsContact C-N 3.32Å; W333-N335 PolarHBondContact O-N 3.21Å; N335-L337 VanDerWaalsContact C-N 3.32Å; N335-L337 PolarHBondContact O-N 2.92Å; N335-A338 WeakPolarHBondContact O-CB 3.48Å; N335-A338 PolarHBondContact O-N 3.43Å; N335-E339 PolarHBondContact O-N 3.29Å; N335-E339 VanDerWaalsContact O-N 3.15Å
336	Y	92.4	Very high	87.7	Confident	113 Å²	113	88.6 Å²	88.6	44%	0.443	47%	0.47	S	S	.	.	H	α-helix	trans	-60.3	-40.8	173.8	176.8	-89.2	0	0	0	112.3	S332 W333 E339 N340 A343	S332-Y336 WeakPolarHBondContact O-CB 3.18Å; S332-Y336 PolarHBondContact O-N 3.34Å; W333-Y336 AromaticContact CE3-CD1 3.66Å; W333-Y336 HydrophobicContact CE3-CD1 3.66Å; W333-Y336 HydrophobicContact CE3-CE1 4.4Å; W333-Y336 HydrophobicContact CE3-CG 4.31Å; W333-Y336 HydrophobicContact CH2-CD1 4.24Å; W333-Y336 HydrophobicContact CH2-CE1 4.37Å; W333-Y336 AromaticContact CZ3-CD1 3.3Å; W333-Y336 HydrophobicContact CZ3-CD1 3.3Å; W333-Y336 AromaticContact CZ3-CE1 3.62Å; W333-Y336 HydrophobicContact CZ3-CE1 3.62Å; W333-Y336 HydrophobicContact CZ3-CG 4.32Å; W333-Y336 WeakPolarHBondContact O-CB 3.38Å; W333-Y336 PolarHBondContact O-N 3.46Å; W333-Y336 VanDerWaalsContact O-N 3.17Å; Y336-E339 PolarHBondContact O-N 3Å; Y336-N340 HydrophobicContact CE1-CB 4.09Å; Y336-N340 WeakPolarHBondContact O-CB 3.22Å; Y336-N340 PolarHBondContact O-N 2.58Å; Y336-N340 PolarHBondContact O-ND2 2.78Å; Y336-N340 VanDerWaalsContact O-ND2 3.13Å; Y336-A343 HydrophobicContact CE1-CB 4.06Å
337	L	90.4	Very high	87.7	Confident	27 Å²	27	88.6 Å²	88.6	14%	0.141	46%	0.464	C	S	.	.	H	α-helix	trans	-66.5	-36.4	176.2	-73.9	-178.1	0	0	0	112.6	W333 H334 N335 E339 N340 P341 A343 I344	W333-L337 HydrophobicContact CD2-CD1 4.22Å; W333-L337 HydrophobicContact CD2-CD2 4.42Å; W333-L337 HydrophobicContact CD2-CG 3.97Å; W333-L337 HydrophobicContact CE3-CD2 4.47Å; W333-L337 HydrophobicContact CE3-CG 4.32Å; W333-L337 HydrophobicContact CH2-CD2 3.44Å; W333-L337 VanDerWaalsContact CH2-CD2 3.44Å; W333-L337 HydrophobicContact CH2-CG 4.07Å; W333-L337 HydrophobicContact CZ2-CD1 3.8Å; W333-L337 HydrophobicContact CZ2-CD2 3.35Å; W333-L337 HydrophobicContact CZ2-CG 3.69Å; W333-L337 HydrophobicContact CZ3-CD2 4.03Å; W333-L337 HydrophobicContact CZ3-CG 4.37Å; W333-L337 WeakPolarHBondContact O-CG 3.37Å; W333-L337 PolarHBondContact O-N 3.13Å; H334-L337 PolarHBondContact O-N 3.34Å; N335-L337 VanDerWaalsContact C-N 3.32Å; N335-L337 PolarHBondContact O-N 2.92Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.27Å; L337-N340 CarbonylContact O-C 3.55Å; L337-N340 PolarHBondContact O-N 3.44Å; L337-P341 WeakPolarHBondContact O-CA 3.22Å; L337-P341 VanDerWaalsContact O-N 3.12Å; L337-A343 HydrophobicContact CD2-CB 3.94Å; L337-I344 HydrophobicContact CB-CG1 4.18Å; L337-I344 HydrophobicContact CD1-CG1 4.19Å; L337-I344 HydrophobicContact CD2-CB 4.46Å; L337-I344 HydrophobicContact CD2-CG1 3.66Å; L337-I344 HydrophobicContact CG-CG1 4.23Å
338	A	85.8	Confident	88	Confident	73 Å²	73	83.8 Å²	83.8	60%	0.603	45%	0.452	S	S	*	.	H	α-helix	trans	-63.1	-38	175.2	0	0	0	0	0	111.8	H334 N335	H334-A338 PolarHBondContact O-N 3.27Å; N335-A338 WeakPolarHBondContact O-CB 3.48Å; N335-A338 PolarHBondContact O-N 3.43Å
339	E	89.5	Confident	88.5	Confident	159 Å²	159	87 Å²	87	74%	0.743	46%	0.464	S	S	*	.	H	α-helix	trans	-79.2	-27.8	175.2	-67.5	-178.3	-178.4	0	0	113	N335 Y336 L337 P341	N335-E339 PolarHBondContact O-N 3.29Å; N335-E339 VanDerWaalsContact O-N 3.15Å; Y336-E339 PolarHBondContact O-N 3Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.27Å; E339-P341 WeakPolarHBondContact O-CD 3.37Å
340	N	89.7	Confident	88.4	Confident	59 Å²	59	91.9 Å²	91.9	32%	0.316	49%	0.488	S	S	.	.			trans	-127.4	69.3	-177.4	-59.6	-88.4	0	0	0	111.5	Y336 L337 T342 A343	Y336-N340 HydrophobicContact CE1-CB 4.09Å; Y336-N340 WeakPolarHBondContact O-CB 3.22Å; Y336-N340 PolarHBondContact O-N 2.58Å; Y336-N340 PolarHBondContact O-ND2 2.78Å; Y336-N340 VanDerWaalsContact O-ND2 3.13Å; L337-N340 CarbonylContact O-C 3.55Å; L337-N340 PolarHBondContact O-N 3.44Å; N340-T342 PolarHBondContact O-N 3.27Å; N340-A343 HydrophobicContact CB-CB 4.48Å; N340-A343 WeakPolarHBondContact O-CB 3.49Å; N340-A343 PolarHBondContact O-N 2.94Å
341	P	86.9	Confident	88.4	Confident	79 Å²	79	94.3 Å²	94.3	51%	0.513	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-60.1	-26.2	-174.5	-23.2	32.9	0	0	0	113.4	L337 E339 A343 I344	L337-P341 WeakPolarHBondContact O-CA 3.22Å; L337-P341 VanDerWaalsContact O-N 3.12Å; E339-P341 WeakPolarHBondContact O-CD 3.37Å; P341-A343 PolarHBondContact O-N 3.22Å; P341-I344 HydrophobicContact CB-CD1 4.44Å; P341-I344 WeakPolarHBondContact O-CB 3.4Å; P341-I344 VanDerWaalsContact O-CG1 3.3Å; P341-I344 WeakPolarHBondContact O-CG1 3.47Å; P341-I344 PolarHBondContact O-N 3.39Å
342	T	88	Confident	88.7	Confident	104 Å²	104	91.4 Å²	91.4	64%	0.638	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-67.5	-12.7	178.3	68.5	0	0	0	0	114.2	N340 K346	N340-T342 PolarHBondContact O-N 3.27Å; T342-K346 WeakPolarHBondContact O-CD 3.19Å; T342-K346 WeakPolarHBondContact O-CG 3.47Å
343	A	86.4	Confident	88.9	Confident	10 Å²	10	90.1 Å²	90.1	8%	0.083	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-81.2	-21.9	176.6	0	0	0	0	0	112.9	W333 Y336 L337 N340 P341 D345 K346 V347	W333-A343 HydrophobicContact CH2-CB 4.42Å; Y336-A343 HydrophobicContact CE1-CB 4.06Å; L337-A343 HydrophobicContact CD2-CB 3.94Å; N340-A343 HydrophobicContact CB-CB 4.48Å; N340-A343 WeakPolarHBondContact O-CB 3.49Å; N340-A343 PolarHBondContact O-N 2.94Å; P341-A343 PolarHBondContact O-N 3.22Å; A343-D345 VanDerWaalsContact C-N 3.33Å; A343-D345 PolarHBondContact O-N 2.96Å; A343-K346 PolarHBondContact O-N 2.86Å; A343-K346 VanDerWaalsContact O-N 3.16Å; A343-V347 PolarHBondContact O-N 3.11Å
344	I	81.8	Confident	89.1	Confident	95 Å²	95	91.8 Å²	91.8	49%	0.487	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-46.5	-175.4	-62	172.2	0	0	0	111.2	L337 P341	L337-I344 HydrophobicContact CB-CG1 4.18Å; L337-I344 HydrophobicContact CD1-CG1 4.19Å; L337-I344 HydrophobicContact CD2-CB 4.46Å; L337-I344 HydrophobicContact CD2-CG1 3.66Å; L337-I344 HydrophobicContact CG-CG1 4.23Å; P341-I344 HydrophobicContact CB-CD1 4.44Å; P341-I344 WeakPolarHBondContact O-CB 3.4Å; P341-I344 VanDerWaalsContact O-CG1 3.3Å; P341-I344 WeakPolarHBondContact O-CG1 3.47Å; P341-I344 PolarHBondContact O-N 3.39Å
345	D	82.2	Confident	89.5	Confident	157 Å²	157	93.6 Å²	93.6	84%	0.84	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.4	-177	-63.1	-37.5	0	0	0	114	A343	A343-D345 VanDerWaalsContact C-N 3.33Å; A343-D345 PolarHBondContact O-N 2.96Å
346	K	87.1	Confident	89.8	Confident	161 Å²	161	92.3 Å²	92.3	70%	0.7	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-25.1	-170.8	-71.8	-175.7	-176.5	174.4	0	114.2	T342 A343	T342-K346 WeakPolarHBondContact O-CD 3.19Å; T342-K346 WeakPolarHBondContact O-CG 3.47Å; A343-K346 PolarHBondContact O-N 2.86Å; A343-K346 VanDerWaalsContact O-N 3.16Å
347	V	91.1	Very high	89.9	Confident	55 Å²	55	90.9 Å²	90.9	33%	0.333	49%	0.489	S	S	.	.	S	Bend	trans	-131.1	123.9	-170.4	-168.7	0	0	0	0	108.7	A343 E351 V352	A343-V347 PolarHBondContact O-N 3.11Å; V347-E351 HydrophobicContact CG1-CB 4.25Å; V347-V352 HydrophobicContact CB-CG2 4.48Å; V347-V352 HydrophobicContact CG1-CG2 3.51Å
348	S	90.4	Very high	90	Very high	48 Å²	48	93.9 Å²	93.9	34%	0.336	51%	0.506	S	S	.	.			trans	-77.1	150.9	175.6	63.4	0	0	0	0	111.5	Q350 E351 V352	S348-Q350 PolarHBondContact O-N 2.82Å; S348-E351 PolarHBondContact N-OE2 3.04Å; S348-E351 PolarHBondContact O-N 3.2Å; S348-E351 VanDerWaalsContact O-N 3.12Å; S348-E351 VanDerWaalsContact OG-CD 3.22Å; S348-E351 WeakPolarHBondContact OG-CG 3.09Å; S348-E351 PolarHBondContact OG-N 3.2Å; S348-E351 PolarHBondContact OG-OE2 3.13Å; S348-V352 PolarHBondContact O-N 3.15Å
349	E	87.5	Confident	90.3	Very high	142 Å²	142	91.7 Å²	91.7	66%	0.664	49%	0.487	S	S	*	.	H	α-helix	trans	-60.4	-31.5	178.4	-59	86.5	168.4	0	0	111.7	V352 A353	E349-V352 PolarHBondContact O-N 3.33Å; E349-A353 WeakPolarHBondContact O-CB 3.47Å; E349-A353 PolarHBondContact O-N 2.79Å
350	Q	91.9	Very high	90.5	Very high	164 Å²	164	88.7 Å²	88.7	77%	0.766	47%	0.472	S	S	*	.	H	α-helix	trans	-68.9	-37.3	177.9	-168.8	171.5	4.6	0	0	112.4	S348 S354	S348-Q350 PolarHBondContact O-N 2.82Å; Q350-S354 VanDerWaalsContact O-CB 3.32Å; Q350-S354 WeakPolarHBondContact O-CB 3.44Å; Q350-S354 PolarHBondContact O-N 3.31Å
351	E	93	Very high	90.7	Very high	107 Å²	107	89.1 Å²	89.1	50%	0.5	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-40.8	173.9	-74.3	166.6	143.1	0	0	111.6	V347 S348 S354 K355	V347-E351 HydrophobicContact CG1-CB 4.25Å; S348-E351 PolarHBondContact N-OE2 3.04Å; S348-E351 PolarHBondContact O-N 3.2Å; S348-E351 VanDerWaalsContact O-N 3.12Å; S348-E351 VanDerWaalsContact OG-CD 3.22Å; S348-E351 WeakPolarHBondContact OG-CG 3.09Å; S348-E351 PolarHBondContact OG-N 3.2Å; S348-E351 PolarHBondContact OG-OE2 3.13Å; E351-S354 PolarHBondContact O-N 3.27Å; E351-K355 PolarHBondContact O-N 3.07Å
352	V	92.9	Very high	90.6	Very high	21 Å²	21	92.4 Å²	92.4	13%	0.127	48%	0.479	C	S	.	.	H	α-helix	trans	-63.7	-47.5	176.2	-179	0	0	0	0	110.6	F329 W333 V347 S348 E349 S354 K355 F356	F329-V352 HydrophobicContact CE1-CG1 3.78Å; F329-V352 HydrophobicContact CZ-CG1 3.61Å; W333-V352 HydrophobicContact CD2-CG1 4.38Å; W333-V352 HydrophobicContact CE3-CG1 4.24Å; W333-V352 HydrophobicContact CE3-CG2 4.42Å; W333-V352 HydrophobicContact CH2-CG2 3.86Å; W333-V352 HydrophobicContact CZ2-CG2 3.99Å; W333-V352 HydrophobicContact CZ3-CG2 4.08Å; V347-V352 HydrophobicContact CB-CG2 4.48Å; V347-V352 HydrophobicContact CG1-CG2 3.51Å; S348-V352 PolarHBondContact O-N 3.15Å; E349-V352 PolarHBondContact O-N 3.33Å; V352-S354 PolarHBondContact O-N 2.83Å; V352-K355 PolarHBondContact O-N 3.03Å; V352-F356 WeakPolarHBondContact O-CB 3.47Å; V352-F356 PolarHBondContact O-N 3.39Å
353	A	94.2	Very high	90.6	Very high	47 Å²	47	95.3 Å²	95.3	39%	0.388	48%	0.479	S	S	.	.	H	α-helix	trans	-61	-43.8	177.4	0	0	0	0	0	112.1	E349 K355 F356 V357	E349-A353 WeakPolarHBondContact O-CB 3.47Å; E349-A353 PolarHBondContact O-N 2.79Å; A353-K355 PolarHBondContact O-N 2.97Å; A353-F356 WeakPolarHBondContact O-CB 3.25Å; A353-F356 PolarHBondContact O-N 2.79Å; A353-V357 WeakPolarHBondContact O-CG2 3.31Å; A353-V357 PolarHBondContact O-N 3.39Å
354	S	95.2	Very high	90.7	Very high	81 Å²	81	100.4 Å²	100.4	57%	0.566	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-45.7	177.3	-178	0	0	0	0	112	Q350 E351 V352 F356 V357 D358	Q350-S354 VanDerWaalsContact O-CB 3.32Å; Q350-S354 WeakPolarHBondContact O-CB 3.44Å; Q350-S354 PolarHBondContact O-N 3.31Å; E351-S354 PolarHBondContact O-N 3.27Å; V352-S354 PolarHBondContact O-N 2.83Å; S354-F356 VanDerWaalsContact C-N 3.33Å; S354-F356 PolarHBondContact O-N 3.31Å; S354-V357 PolarHBondContact O-N 2.98Å; S354-D358 PolarHBondContact O-N 3.24Å
355	K	94.5	Very high	90.9	Very high	166 Å²	166	100.5 Å²	100.5	72%	0.722	50%	0.498	S	S	*	.	H	α-helix	trans	-63.8	-37.8	174.8	-77.4	-167.4	175.7	-175.7	0	112.8	E351 V352 A353 A359	E351-K355 PolarHBondContact O-N 3.07Å; V352-K355 PolarHBondContact O-N 3.03Å; A353-K355 PolarHBondContact O-N 2.97Å; K355-A359 WeakPolarHBondContact O-CB 2.95Å; K355-A359 PolarHBondContact O-N 2.85Å
356	F	94	Very high	90.8	Very high	70 Å²	70	97.9 Å²	97.9	31%	0.307	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-45.9	174.8	174.3	-100.6	0	0	0	111.5	F329 V352 A353 S354 D358 A359 F360	F329-F356 HydrophobicContact CD1-CB 4.32Å; F329-F356 HydrophobicContact CD1-CD1 4.28Å; F329-F356 HydrophobicContact CD1-CD2 4.3Å; F329-F356 HydrophobicContact CD1-CG 4.03Å; F329-F356 AromaticContact CD2-CD2 3.56Å; F329-F356 HydrophobicContact CD2-CD2 3.56Å; F329-F356 AromaticContact CD2-CE2 3.76Å; F329-F356 HydrophobicContact CD2-CE2 3.76Å; F329-F356 HydrophobicContact CD2-CG 4.13Å; F329-F356 HydrophobicContact CD2-CZ 4.47Å; F329-F356 HydrophobicContact CE1-CB 3.61Å; F329-F356 HydrophobicContact CE1-CD1 4.39Å; F329-F356 HydrophobicContact CE1-CD2 4.17Å; F329-F356 AromaticContact CE1-CG 3.8Å; F329-F356 HydrophobicContact CE1-CG 3.8Å; F329-F356 HydrophobicContact CE2-CB 4.11Å; F329-F356 AromaticContact CE2-CD2 3.43Å; F329-F356 HydrophobicContact CE2-CD2 3.43Å; F329-F356 VanDerWaalsContact CE2-CD2 3.43Å; F329-F356 HydrophobicContact CE2-CE2 4.09Å; F329-F356 AromaticContact CE2-CG 3.93Å; F329-F356 HydrophobicContact CE2-CG 3.93Å; F329-F356 HydrophobicContact CG-CD1 4.49Å; F329-F356 HydrophobicContact CG-CD2 4.02Å; F329-F356 HydrophobicContact CG-CE2 4.14Å; F329-F356 HydrophobicContact CG-CG 4.19Å; F329-F356 HydrophobicContact CG-CZ 4.44Å; F329-F356 HydrophobicContact CZ-CB 3.5Å; F329-F356 AromaticContact CZ-CD2 3.77Å; F329-F356 HydrophobicContact CZ-CD2 3.77Å; F329-F356 AromaticContact CZ-CG 3.77Å; F329-F356 HydrophobicContact CZ-CG 3.77Å; V352-F356 WeakPolarHBondContact O-CB 3.47Å; V352-F356 PolarHBondContact O-N 3.39Å; A353-F356 WeakPolarHBondContact O-CB 3.25Å; A353-F356 PolarHBondContact O-N 2.79Å; S354-F356 VanDerWaalsContact C-N 3.33Å; S354-F356 PolarHBondContact O-N 3.31Å; F356-D358 PolarHBondContact O-N 3.05Å; F356-A359 PolarHBondContact O-N 2.84Å; F356-F360 HydrophobicContact CE1-CB 4.35Å; F356-F360 HydrophobicContact CZ-CB 4.48Å; F356-F360 HydrophobicContact CZ-CD2 4.27Å; F356-F360 WeakPolarHBondContact O-CB 3.46Å; F356-F360 PolarHBondContact O-N 2.98Å
357	V	95.2	Very high	90.3	Very high	83 Å²	83	93.8 Å²	93.8	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-44.2	179	172.3	0	0	0	0	111.3	A353 S354 A359 F360 V361	A353-V357 WeakPolarHBondContact O-CG2 3.31Å; A353-V357 PolarHBondContact O-N 3.39Å; S354-V357 PolarHBondContact O-N 2.98Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.07Å; V357-F360 PolarHBondContact O-N 2.9Å; V357-V361 HydrophobicContact CG1-CG2 4.48Å; V357-V361 WeakPolarHBondContact O-CG2 3.46Å; V357-V361 PolarHBondContact O-N 2.89Å
358	D	93.7	Very high	89.7	Confident	90 Å²	90	92.3 Å²	92.3	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-41.3	176.4	-179.9	75.1	0	0	0	112.5	S354 F356 R362	S354-D358 PolarHBondContact O-N 3.24Å; F356-D358 PolarHBondContact O-N 3.05Å; D358-R362 WeakPolarHBondContact O-CG 3.46Å; D358-R362 PolarHBondContact O-N 3.06Å; D358-R362 PolarHBondContact O-NE 2.85Å; D358-R362 IonicContact OD2-CZ 2.63Å; D358-R362 IonicContact OD2-NE 3.58Å; D358-R362 PolarHBondContact OD2-NE 3Å; D358-R362 IonicContact OD2-NH2 3.48Å; D358-R362 PolarHBondContact OD2-NH2 3.5Å
359	A	92.2	Very high	88.9	Confident	27 Å²	27	96 Å²	96	22%	0.223	47%	0.467	C	S	.	.	H	α-helix	trans	-68.5	-43.2	173.9	0	0	0	0	0	111.9	K355 F356 V357 V361 R362 Y363	K355-A359 WeakPolarHBondContact O-CB 2.95Å; K355-A359 PolarHBondContact O-N 2.85Å; F356-A359 PolarHBondContact O-N 2.84Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.07Å; A359-V361 PolarHBondContact O-N 2.81Å; A359-R362 PolarHBondContact O-N 2.93Å; A359-Y363 HydrophobicContact CB-CD2 4.31Å; A359-Y363 HydrophobicContact CB-CE2 4.3Å; A359-Y363 WeakPolarHBondContact O-CD2 2.87Å; A359-Y363 PolarHBondContact O-N 3.47Å
360	F	93.3	Very high	87.8	Confident	97 Å²	97	96.1 Å²	96.1	43%	0.425	46%	0.462	S	S	.	.	H	α-helix	trans	-58.6	-48.9	-179.8	175.9	-92.5	0	0	0	110.3	F356 V357 R362 Y363 F364	F356-F360 HydrophobicContact CE1-CB 4.35Å; F356-F360 HydrophobicContact CZ-CB 4.48Å; F356-F360 HydrophobicContact CZ-CD2 4.27Å; F356-F360 WeakPolarHBondContact O-CB 3.46Å; F356-F360 PolarHBondContact O-N 2.98Å; V357-F360 PolarHBondContact O-N 2.9Å; F360-R362 VanDerWaalsContact C-N 3.32Å; F360-R362 PolarHBondContact O-N 2.87Å; F360-Y363 PolarHBondContact O-N 3.32Å; F360-F364 HydrophobicContact CD1-CB 4.14Å; F360-F364 HydrophobicContact CE1-CB 3.84Å; F360-F364 HydrophobicContact CE1-CD1 4.34Å; F360-F364 HydrophobicContact CE1-CD2 4.27Å; F360-F364 AromaticContact CE1-CG 3.89Å; F360-F364 HydrophobicContact CE1-CG 3.89Å; F360-F364 HydrophobicContact CE2-CB 4.3Å; F360-F364 HydrophobicContact CE2-CD2 4.4Å; F360-F364 HydrophobicContact CG-CB 4.49Å; F360-F364 HydrophobicContact CZ-CB 3.93Å; F360-F364 AromaticContact CZ-CD2 3.77Å; F360-F364 HydrophobicContact CZ-CD2 3.77Å; F360-F364 HydrophobicContact CZ-CE2 4.48Å; F360-F364 AromaticContact CZ-CG 3.85Å; F360-F364 HydrophobicContact CZ-CG 3.85Å; F360-F364 WeakPolarHBondContact O-CA 3.38Å; F360-F364 WeakPolarHBondContact O-CB 3.24Å; F360-F364 PolarHBondContact O-N 3.37Å
361	V	92.4	Very high	86.3	Confident	67 Å²	67	92.7 Å²	92.7	41%	0.406	45%	0.448	S	S	.	.	H	α-helix	trans	-57.9	-46.1	178.2	173.1	0	0	0	0	110.8	V357 A359 Y363 E365	V357-V361 HydrophobicContact CG1-CG2 4.48Å; V357-V361 WeakPolarHBondContact O-CG2 3.46Å; V357-V361 PolarHBondContact O-N 2.89Å; A359-V361 PolarHBondContact O-N 2.81Å; V361-Y363 PolarHBondContact O-N 2.9Å; V361-E365 HydrophobicContact CG1-CG 4.44Å; V361-E365 WeakPolarHBondContact O-CB 3.4Å; V361-E365 WeakPolarHBondContact O-CG 3.21Å; V361-E365 PolarHBondContact O-N 3.29Å
362	R	85.1	Confident	84.6	Confident	148 Å²	148	90.8 Å²	90.8	56%	0.558	45%	0.446	S	S	*	.	H	α-helix	trans	-61.2	-45	179.2	-74.6	-171.8	-81.8	146.4	-9.9	112.9	D358 A359 F360	D358-R362 WeakPolarHBondContact O-CG 3.46Å; D358-R362 PolarHBondContact O-N 3.06Å; D358-R362 PolarHBondContact O-NE 2.85Å; D358-R362 IonicContact OD2-CZ 2.63Å; D358-R362 IonicContact OD2-NE 3.58Å; D358-R362 PolarHBondContact OD2-NE 3Å; D358-R362 IonicContact OD2-NH2 3.48Å; D358-R362 PolarHBondContact OD2-NH2 3.5Å; A359-R362 PolarHBondContact O-N 2.93Å; F360-R362 VanDerWaalsContact C-N 3.32Å; F360-R362 PolarHBondContact O-N 2.87Å
363	Y	89.4	Confident	82.3	Confident	166 Å²	166	99.9 Å²	99.9	65%	0.651	48%	0.478	S	S	*	.	H	α-helix	trans	-78.2	-40.1	-179.6	-70.2	-62.7	0	0	0	112.6	A359 F360 V361 N366 E367	A359-Y363 HydrophobicContact CB-CD2 4.31Å; A359-Y363 HydrophobicContact CB-CE2 4.3Å; A359-Y363 WeakPolarHBondContact O-CD2 2.87Å; A359-Y363 PolarHBondContact O-N 3.47Å; F360-Y363 PolarHBondContact O-N 3.32Å; V361-Y363 PolarHBondContact O-N 2.9Å; Y363-N366 PolarHBondContact O-N 2.79Å; Y363-E367 WeakPolarHBondContact O-CB 3.38Å; Y363-E367 PolarHBondContact O-N 3.08Å
364	F	88.4	Confident	79.7	Confident	116 Å²	116	103 Å²	103	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-44.8	178	177.7	-102.9	0	0	0	111.3	F360 N366 E367 A368	F360-F364 HydrophobicContact CD1-CB 4.14Å; F360-F364 HydrophobicContact CE1-CB 3.84Å; F360-F364 HydrophobicContact CE1-CD1 4.34Å; F360-F364 HydrophobicContact CE1-CD2 4.27Å; F360-F364 AromaticContact CE1-CG 3.89Å; F360-F364 HydrophobicContact CE1-CG 3.89Å; F360-F364 HydrophobicContact CE2-CB 4.3Å; F360-F364 HydrophobicContact CE2-CD2 4.4Å; F360-F364 HydrophobicContact CG-CB 4.49Å; F360-F364 HydrophobicContact CZ-CB 3.93Å; F360-F364 AromaticContact CZ-CD2 3.77Å; F360-F364 HydrophobicContact CZ-CD2 3.77Å; F360-F364 HydrophobicContact CZ-CE2 4.48Å; F360-F364 AromaticContact CZ-CG 3.85Å; F360-F364 HydrophobicContact CZ-CG 3.85Å; F360-F364 WeakPolarHBondContact O-CA 3.38Å; F360-F364 WeakPolarHBondContact O-CB 3.24Å; F360-F364 PolarHBondContact O-N 3.37Å; F364-N366 VanDerWaalsContact C-N 3.26Å; F364-N366 PolarHBondContact O-N 3.18Å; F364-E367 PolarHBondContact O-N 3.46Å; F364-A368 HydrophobicContact CE1-CB 4.19Å; F364-A368 HydrophobicContact CE2-CB 4.4Å; F364-A368 HydrophobicContact CZ-CB 4.14Å; F364-A368 WeakPolarHBondContact O-CB 3.26Å; F364-A368 PolarHBondContact O-N 2.92Å
365	E	84.4	Confident	76.6	Confident	98 Å²	98	101.1 Å²	101.1	46%	0.458	48%	0.479	S	S	.	.	H	α-helix	trans	-61.8	-36.9	176.5	-78.7	-172.5	-178.4	0	0	112.6	V361 R369	V361-E365 HydrophobicContact CG1-CG 4.44Å; V361-E365 WeakPolarHBondContact O-CB 3.4Å; V361-E365 WeakPolarHBondContact O-CG 3.21Å; V361-E365 PolarHBondContact O-N 3.29Å; E365-R369 VanDerWaalsContact O-CB 3.25Å; E365-R369 WeakPolarHBondContact O-CB 3.22Å; E365-R369 VanDerWaalsContact O-CG 3.25Å; E365-R369 WeakPolarHBondContact O-CG 3.49Å; E365-R369 PolarHBondContact O-N 2.75Å; E365-R369 VanDerWaalsContact O-N 3.09Å; E365-R369 PolarHBondContact O-NE 3.15Å; E365-R369 IonicContact OE2-CZ 3.83Å; E365-R369 IonicContact OE2-NH2 3.46Å; E365-R369 PolarHBondContact OE2-NH2 3.04Å
366	N	80	Confident	74	Confident	101 Å²	101	103.8 Å²	103.8	54%	0.54	49%	0.485	S	S	.	.	H	α-helix	trans	-68.3	-44.3	177.2	-171.1	55.2	0	0	0	110.5	Y363 F364 R370	Y363-N366 PolarHBondContact O-N 2.79Å; F364-N366 VanDerWaalsContact C-N 3.26Å; F364-N366 PolarHBondContact O-N 3.18Å; N366-R370 WeakPolarHBondContact O-CB 3.15Å; N366-R370 PolarHBondContact O-N 3.15Å
367	E	78.1	Confident	71.3	Confident	75 Å²	75	107.8 Å²	107.8	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-71.1	-43.1	-178.6	-162	55.8	-141.9	0	0	112.3	Y363 F364 R369 R370 I371	Y363-E367 WeakPolarHBondContact O-CB 3.38Å; Y363-E367 PolarHBondContact O-N 3.08Å; F364-E367 PolarHBondContact O-N 3.46Å; E367-R369 PolarHBondContact O-N 3.34Å; E367-R370 WeakPolarHBondContact O-CA 3.46Å; E367-R370 VanDerWaalsContact O-CB 3.25Å; E367-R370 WeakPolarHBondContact O-CB 3.41Å; E367-R370 PolarHBondContact O-N 3.17Å; E367-R370 VanDerWaalsContact O-N 3.11Å; E367-R370 IonicContact OE1-CZ 3.57Å; E367-R370 IonicContact OE1-NE 3.95Å; E367-R370 PolarHBondContact OE1-NE 3.17Å; E367-R370 IonicContact OE1-NH2 3.56Å; E367-R370 PolarHBondContact OE1-NH2 2.95Å; E367-R370 IonicContact OE2-NE 3.73Å; E367-R370 PolarHBondContact OE2-NE 3.48Å; E367-I371 HydrophobicContact CG-CD1 4.18Å; E367-I371 WeakPolarHBondContact O-CD1 3.39Å; E367-I371 VanDerWaalsContact O-CG1 3.27Å; E367-I371 WeakPolarHBondContact O-CG1 3.16Å; E367-I371 PolarHBondContact O-N 3.39Å
368	A	78	Confident	68.5	Low	24 Å²	24	109.8 Å²	109.8	20%	0.198	52%	0.516	C	S	.	.	H	α-helix	trans	-63.5	-41.4	174.9	0	0	0	0	0	111.3	F364 R370 I371 C372	F364-A368 HydrophobicContact CE1-CB 4.19Å; F364-A368 HydrophobicContact CE2-CB 4.4Å; F364-A368 HydrophobicContact CZ-CB 4.14Å; F364-A368 WeakPolarHBondContact O-CB 3.26Å; F364-A368 PolarHBondContact O-N 2.92Å; A368-R370 VanDerWaalsContact C-N 3.29Å; A368-R370 PolarHBondContact O-N 3.03Å; A368-I371 PolarHBondContact O-N 3.44Å; A368-C372 WeakPolarHBondContact O-CB 3.4Å; A368-C372 PolarHBondContact O-N 3.18Å; A368-C372 PolarHBondContact O-SG 3.46Å
369	R	72.7	Confident	65.7	Low	125 Å²	125	112.1 Å²	112.1	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-64.2	-35.7	172.4	-80	-177.9	-79.2	-158.7	-10.4	111.9	E365 E367 R373	E365-R369 VanDerWaalsContact O-CB 3.25Å; E365-R369 WeakPolarHBondContact O-CB 3.22Å; E365-R369 VanDerWaalsContact O-CG 3.25Å; E365-R369 WeakPolarHBondContact O-CG 3.49Å; E365-R369 PolarHBondContact O-N 2.75Å; E365-R369 VanDerWaalsContact O-N 3.09Å; E365-R369 PolarHBondContact O-NE 3.15Å; E365-R369 IonicContact OE2-CZ 3.83Å; E365-R369 IonicContact OE2-NH2 3.46Å; E365-R369 PolarHBondContact OE2-NH2 3.04Å; E367-R369 PolarHBondContact O-N 3.34Å; R369-R373 WeakPolarHBondContact O-CB 3.35Å; R369-R373 VanDerWaalsContact O-CG 3.26Å; R369-R373 WeakPolarHBondContact O-CG 3.36Å; R369-R373 PolarHBondContact O-N 2.8Å; R369-R373 VanDerWaalsContact O-N 3.15Å
370	R	65	Low	62.8	Low	145 Å²	145	118.7 Å²	118.7	55%	0.547	56%	0.559	S	S	.	*	H	α-helix	trans	-63.1	-43.6	174.6	-162	178.5	77.8	99.8	0.6	111	N366 E367 A368 T374	N366-R370 WeakPolarHBondContact O-CB 3.15Å; N366-R370 PolarHBondContact O-N 3.15Å; E367-R370 WeakPolarHBondContact O-CA 3.46Å; E367-R370 VanDerWaalsContact O-CB 3.25Å; E367-R370 WeakPolarHBondContact O-CB 3.41Å; E367-R370 PolarHBondContact O-N 3.17Å; E367-R370 VanDerWaalsContact O-N 3.11Å; E367-R370 IonicContact OE1-CZ 3.57Å; E367-R370 IonicContact OE1-NE 3.95Å; E367-R370 PolarHBondContact OE1-NE 3.17Å; E367-R370 IonicContact OE1-NH2 3.56Å; E367-R370 PolarHBondContact OE1-NH2 2.95Å; E367-R370 IonicContact OE2-NE 3.73Å; E367-R370 PolarHBondContact OE2-NE 3.48Å; A368-R370 VanDerWaalsContact C-N 3.29Å; A368-R370 PolarHBondContact O-N 3.03Å; R370-T374 PolarHBondContact O-OG1 3.44Å
371	I	60.2	Low	59.7	Low	93 Å²	93	119 Å²	119	48%	0.477	57%	0.573	S	S	.	*	H	α-helix	trans	-73.6	-41.9	179.3	-64.3	159.8	0	0	0	112.4	E367 A368 R373 T374 S375	E367-I371 HydrophobicContact CG-CD1 4.18Å; E367-I371 WeakPolarHBondContact O-CD1 3.39Å; E367-I371 VanDerWaalsContact O-CG1 3.27Å; E367-I371 WeakPolarHBondContact O-CG1 3.16Å; E367-I371 PolarHBondContact O-N 3.39Å; A368-I371 PolarHBondContact O-N 3.44Å; I371-R373 VanDerWaalsContact C-N 3.34Å; I371-R373 PolarHBondContact O-N 3.14Å; I371-T374 WeakPolarHBondContact CA-OG1 3.48Å; I371-T374 PolarHBondContact O-N 2.92Å; I371-T374 PolarHBondContact O-OG1 2.77Å; I371-S375 WeakPolarHBondContact O-CB 3.47Å; I371-S375 PolarHBondContact O-N 3.25Å
372	C	57.2	Low	56.6	Low	67 Å²	67	121.6 Å²	121.6	45%	0.453	59%	0.589	S	S	.	*	H	α-helix	trans	-71	-31.5	-177.9	-66.9	0	0	0	0	111.9	A368 T374 S375	A368-C372 WeakPolarHBondContact O-CB 3.4Å; A368-C372 PolarHBondContact O-N 3.18Å; A368-C372 PolarHBondContact O-SG 3.46Å; C372-T374 VanDerWaalsContact C-N 3.29Å; C372-S375 PolarHBondContact O-N 3.42Å; C372-S375 VanDerWaalsContact O-O 3.08Å
373	R	45.2	Very low	53.9	Low	211 Å²	211	121.7 Å²	121.7	80%	0.796	61%	0.606	S	S	*	*	H	α-helix	trans	-69.5	-26.9	173	-76.2	178.9	170.7	132.7	-2.9	113.1	R369 I371	R369-R373 WeakPolarHBondContact O-CB 3.35Å; R369-R373 VanDerWaalsContact O-CG 3.26Å; R369-R373 WeakPolarHBondContact O-CG 3.36Å; R369-R373 PolarHBondContact O-N 2.8Å; R369-R373 VanDerWaalsContact O-N 3.15Å; I371-R373 VanDerWaalsContact C-N 3.34Å; I371-R373 PolarHBondContact O-N 3.14Å
374	T	39.4	Very low	50.8	Low	112 Å²	112	118 Å²	118	69%	0.687	61%	0.605	S	S	*	*	H	α-helix	trans	-87.2	-19.8	174.1	50.5	0	0	0	0	112.4	R370 I371 C372 R376	R370-T374 PolarHBondContact O-OG1 3.44Å; I371-T374 WeakPolarHBondContact CA-OG1 3.48Å; I371-T374 PolarHBondContact O-N 2.92Å; I371-T374 PolarHBondContact O-OG1 2.77Å; C372-T374 VanDerWaalsContact C-N 3.29Å; T374-R376 PolarHBondContact O-N 2.98Å
375	S	30.7	Very low	47.8	Very low	43 Å²	43	120.4 Å²	120.4	30%	0.301	62%	0.623	S	S	.	*			trans	-81.2	112.7	175.3	-172	0	0	0	0	111.3	I371 C372 L377	I371-S375 WeakPolarHBondContact O-CB 3.47Å; I371-S375 PolarHBondContact O-N 3.25Å; C372-S375 PolarHBondContact O-N 3.42Å; C372-S375 VanDerWaalsContact O-O 3.08Å; S375-L377 PolarHBondContact O-N 3.2Å; S375-L377 WeakPolarHBondContact OG-CB 3.43Å; S375-L377 WeakPolarHBondContact OG-CD1 3.19Å; S375-L377 WeakPolarHBondContact OG-CG 3.38Å
376	R	39.1	Very low	44.8	Very low	222 Å²	222	118.9 Å²	118.9	84%	0.838	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-64.8	6.8	171.7	-65.7	-174.1	-175.8	173.8	1.7	113.9	T374 L378	T374-R376 PolarHBondContact O-N 2.98Å; R376-L378 PolarHBondContact O-N 2.97Å
377	L	38.9	Very low	42.3	Very low	153 Å²	153	120.1 Å²	120.1	80%	0.801	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-72.7	-8.1	-177.1	-65.9	179.6	0	0	0	114.4	S375	S375-L377 PolarHBondContact O-N 3.2Å; S375-L377 WeakPolarHBondContact OG-CB 3.43Å; S375-L377 WeakPolarHBondContact OG-CD1 3.19Å; S375-L377 WeakPolarHBondContact OG-CG 3.38Å
378	L	36.4	Very low	39.6	Very low	125 Å²	125	125.3 Å²	125.3	65%	0.654	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-116.3	18.1	-178	-70.5	177.4	0	0	0	115.4	R376 D380	R376-L378 PolarHBondContact O-N 2.97Å; L378-D380 PolarHBondContact O-N 3.41Å
379	N	33	Very low	37	Very low	140 Å²	140	129.2 Å²	129.2	75%	0.749	70%	0.7	S	S	*	*	S	Bend	trans	-93.7	83.3	166.9	-76.9	-1.2	0	0	0	109.6
380	D	32.8	Very low	34.5	Very low	164 Å²	164	130.7 Å²	130.7	88%	0.877	72%	0.716	S	S	*	*			trans	156.5	74.5	141.3	-80.2	-17.9	0	0	0	110.5	L378	L378-D380 PolarHBondContact O-N 3.41Å
381	S	26.9	Very low	32.7	Very low	103 Å²	103	133 Å²	133	72%	0.72	73%	0.731	S	S	*	*			trans	-137.7	86.1	152.7	57.1	0	0	0	0	109.8
382	V	27	Very low	30.9	Very low	122 Å²	122	134.1 Å²	134.1	74%	0.739	74%	0.742	S	S	*	*			trans	40.3	94.1	135.4	-172.6	0	0	0	0	115.1	S384	V382-S384 WeakPolarHBondContact CG1-OG 3.47Å; V382-S384 PolarHBondContact O-N 2.92Å
383	V	28.5	Very low	29.2	Very low	150 Å²	150	136.3 Å²	136.3	91%	0.909	76%	0.758	S	S	*	*			trans	-61.7	101.8	147.6	-179.7	0	0	0	0	107
384	S	26	Very low	28.3	Very low	89 Å²	89	134.9 Å²	134.9	62%	0.622	76%	0.76	S	S	*	*			trans	-147.5	93.7	163.1	-75.7	0	0	0	0	108.8	V382	V382-S384 WeakPolarHBondContact CG1-OG 3.47Å; V382-S384 PolarHBondContact O-N 2.92Å
385	N	25.4	Very low	27.4	Very low	167 Å²	167	134.3 Å²	134.3	89%	0.893	76%	0.761	S	S	*	*			trans	-153.3	107.5	140.1	-99.6	-18.3	0	0	0	107.3
386	G	20.9	Very low	27.4	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	79%	0.788	S	S	*	*			trans	-67.7	156.5	-177.5	0	0	0	0	0	112.6
387	S	27.8	Very low	26.6	Very low	126 Å²	126	133 Å²	133	88%	0.881	78%	0.781	S	S	*	*			trans	-147.8	122.9	151.8	-73.4	0	0	0	0	107.6
388	H	21.6	Very low	25.7	Very low	184 Å²	184	130.6 Å²	130.6	85%	0.852	78%	0.775	S	S	*	*			trans	-74.3	150.8	-167.7	-63.5	-107.1	0	0	0	113.1
389	S	22.2	Very low	25.1	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	79%	0.786	S	S	*	*			trans	163.4	107.6	131.3	49.2	0	0	0	0	108.7
390	L	20.9	Very low	25	Very low	156 Å²	156	136.7 Å²	136.7	82%	0.817	79%	0.792	S	S	*	*				58.9	106.2	99.4	-65.4	171.2	0	0	0	112.7
391	F	27.5	Very low	24.5	Very low	195 Å²	195	132.7 Å²	132.7	86%	0.855	79%	0.789	S	S	*	*				179.3	99.8	124.8	-91.1	-68.1	0	0	0	110.2
392	T	22	Very low	24.3	Very low	116 Å²	116	131.5 Å²	131.5	71%	0.712	79%	0.793	S	S	*	*			trans	24.8	137	132.3	51.7	0	0	0	0	122.2
393	S	22.4	Very low	24.2	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	80%	0.798	S	S	*	*			trans	76.9	135.6	140.9	-99.4	0	0	0	0	116.4
394	E	25.6	Very low	24	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	80%	0.799	S	S	*	*			cis	-147	152.6	18.4	-68.2	-174.6	125.7	0	0	111.4
395	S	21	Very low	23.9	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	81%	0.809	S	S	*	*			trans	-69.1	121.8	170.7	-177.1	0	0	0	0	111.3	L397	S395-L397 WeakPolarHBondContact OG-CD1 3.48Å
396	A	29.5	Very low	23.9	Very low	104 Å²	104	136.1 Å²	136.1	86%	0.86	81%	0.805	S	S	*	*			trans	-118.2	100	158.6	0	0	0	0	0	108.9
397	L	22.8	Very low	23.8	Very low	133 Å²	133	143.6 Å²	143.6	70%	0.696	82%	0.815	S	S	*	*			trans	-55.2	137.6	175	-93.2	62.2	0	0	0	112.8	S395	S395-L397 WeakPolarHBondContact OG-CD1 3.48Å
398	C	20.6	Very low	23.7	Very low	102 Å²	102	144 Å²	144	69%	0.689	81%	0.811	S	S	*	*				47.4	119.1	124.8	-42.1	0	0	0	0	119.1
399	R	22.4	Very low	23.7	Very low	231 Å²	231	142.5 Å²	142.5	87%	0.872	81%	0.81	S	S	*	*				161.1	153.6	106.8	-89.1	173.4	173.6	-158.1	-2.7	111.3
400	N	30.5	Very low	23.9	Very low	163 Å²	163	143.2 Å²	143.2	87%	0.872	81%	0.814	S	S	*	*			trans	99.3	93.9	177.8	-54.3	-10.7	0	0	0	110.7
401	G	24.1	Very low	23.9	Very low	79 Å²	79	143.2 Å²	143.2	81%	0.814	82%	0.815	S	S	*	*			cis	89.8	85.3	35.1	0	0	0	0	0	109.3
402	G	22.6	Very low	23.5	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	81%	0.81	S	S	*	*			trans	56.3	119.7	149.5	0	0	0	0	0	119.7
403	A	24.2	Very low	23.6	Very low	102 Å²	102	139.1 Å²	139.1	84%	0.843	81%	0.813	S	S	*	*				180	123.1	112.3	0	0	0	0	0	110.8	A405	A403-A405 PolarHBondContact O-N 2.85Å
404	R	23.6	Very low	23.6	Very low	248 Å²	248	139 Å²	139	94%	0.936	81%	0.813	S	S	*	*			trans	-74.7	96.4	173.9	178.9	177.6	179.4	156.9	-1.5	108.6
405	A	25.5	Very low	23.7	Very low	100 Å²	100	139 Å²	139	83%	0.826	81%	0.812	S	S	*	*			trans	-89.2	123	176.3	0	0	0	0	0	110.9	A403	A403-A405 PolarHBondContact O-N 2.85Å
406	Q	23.5	Very low	24.2	Very low	176 Å²	176	140.4 Å²	140.4	82%	0.822	82%	0.817	S	S	*	*			trans	-74.1	148.4	-177.6	-70.5	173.3	-53.7	0	0	112.4	V408	Q406-V408 PolarHBondContact O-N 2.65Å
407	Y	19	Very low	24	Very low	223 Å²	223	143 Å²	143	88%	0.875	82%	0.817	S	S	*	*			trans	-35.7	117.7	160.8	-99.1	-112.1	0	0	0	113.2
408	V	25.8	Very low	24.4	Very low	134 Å²	134	142.6 Å²	142.6	81%	0.812	83%	0.825	S	S	*	*			trans	-133.9	114.2	154.5	-84.3	0	0	0	0	108.7	Q406 S410	Q406-V408 PolarHBondContact O-N 2.65Å; V408-S410 PolarHBondContact O-N 3.24Å; V408-S410 VanDerWaalsContact O-N 3.11Å
409	N	22.9	Very low	24.5	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	83%	0.828	S	S	*	*			trans	-62.8	103.8	168.9	-90.7	-12.2	0	0	0	108.8	L411	N409-L411 PolarHBondContact O-N 3.38Å
410	S	25.2	Very low	24.9	Very low	120 Å²	120	139.5 Å²	139.5	84%	0.839	83%	0.827	S	S	*	*			trans	-85.3	106.5	167.3	-163.7	0	0	0	0	109.1	V408	V408-S410 PolarHBondContact O-N 3.24Å; V408-S410 VanDerWaalsContact O-N 3.11Å
411	L	20.7	Very low	24.9	Very low	157 Å²	157	137 Å²	137	82%	0.822	82%	0.823	S	S	*	*			trans	-66.5	154.7	158.7	-76.2	143.5	0	0	0	109.8	N409	N409-L411 PolarHBondContact O-N 3.38Å
412	C	20.8	Very low	24.8	Very low	111 Å²	111	141.2 Å²	141.2	75%	0.75	83%	0.827	S	S	*	*			trans	89.2	111.6	161.2	-158.1	0	0	0	0	117.3
413	S	24	Very low	25.3	Very low	113 Å²	113	143.3 Å²	143.3	79%	0.79	83%	0.829	S	S	*	*				-160.6	120.9	123.4	-74.3	0	0	0	0	109.2
414	S	21.1	Very low	25.2	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	83%	0.828	S	S	*	*			trans	-95.3	128	172.5	-67.4	0	0	0	0	108.6
415	E	27.1	Very low	25.5	Very low	178 Å²	178	141.5 Å²	141.5	83%	0.832	82%	0.823	S	S	*	*			trans	-176.9	130.3	163.5	29.4	-163.2	79.9	0	0	105.8
416	T	32.8	Very low	25.4	Very low	132 Å²	132	141.4 Å²	141.4	81%	0.81	82%	0.816	S	S	*	*			cis	-153.4	137.9	33.2	48.8	0	0	0	0	110.8
417	D	24.2	Very low	25.3	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	81%	0.81	S	S	*	*			trans	-65.2	147.8	164.2	-70.5	-55.1	0	0	0	111.6
418	S	31.3	Very low	25.4	Very low	124 Å²	124	135.6 Å²	135.6	87%	0.867	80%	0.796	S	S	*	*			trans	-142.8	110.5	157.4	-165.4	0	0	0	0	109.6
419	D	24	Very low	25.2	Very low	142 Å²	142	137.2 Å²	137.2	76%	0.759	79%	0.793	S	S	*	*			trans	-71.1	152.8	176.7	-66.1	-55.2	0	0	0	113.3
420	C	30	Very low	25.4	Very low	126 Å²	126	135 Å²	135	85%	0.851	79%	0.79	S	S	*	*			trans	162.1	129.5	153.1	-86.5	0	0	0	0	107.1
421	S	29.6	Very low	25.4	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	79%	0.791	S	S	*	*			cis	-163.1	149.7	5.4	-60.6	0	0	0	0	107.7
422	N	23.7	Very low	25.8	Very low	168 Å²	168	139.3 Å²	139.3	90%	0.898	79%	0.793	S	S	*	*			trans	-73	143.7	-178.2	-74.8	-42.6	0	0	0	114.4
423	S	31.9	Very low	26	Very low	122 Å²	122	143 Å²	143	85%	0.853	80%	0.797	S	S	*	*			trans	-134.9	130.7	143.9	59.8	0	0	0	0	110.4
424	N	23.3	Very low	26.2	Very low	153 Å²	153	147.1 Å²	147.1	82%	0.818	80%	0.801	S	S	*	*			trans	-60.2	140.3	-175	-79.8	-57.2	0	0	0	114
425	L	29	Very low	26.4	Very low	158 Å²	158	153 Å²	153	83%	0.827	81%	0.806	S	S	*	*				178.7	114.8	119.4	-95.1	155.6	0	0	0	110.6
426	S	22.7	Very low	26.5	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	80%	0.803	S	S	*	*			trans	27.9	130	135.4	63.8	0	0	0	0	117.8
427	H	21.6	Very low	26.4	Very low	149 Å²	149	149 Å²	149	69%	0.69	80%	0.802	S	S	*	*			cis	174.7	139.7	39.7	-172.3	-119.9	0	0	0	106.8
428	E	21.9	Very low	26.6	Very low	127 Å²	127	150.4 Å²	150.4	59%	0.593	80%	0.801	S	S	*	*			trans	45.2	137.3	146.9	-71.1	-169.3	165.1	0	0	121
429	F	22.2	Very low	26.5	Very low	168 Å²	168	150.5 Å²	150.5	74%	0.737	80%	0.801	S	S	*	*			cis	-166.2	159.5	17.5	-115.7	-61.5	0	0	0	108.1
430	S	26.6	Very low	26.6	Very low	108 Å²	108	154.8 Å²	154.8	76%	0.755	81%	0.807	S	S	*	*			trans	79.1	85.8	153.1	-75.8	0	0	0	0	120.4
431	L	24.6	Very low	26.3	Very low	163 Å²	163	156.3 Å²	156.3	85%	0.853	81%	0.806	S	S	*	*			trans	-16.9	126.7	135.3	-66.7	156	0	0	0	115.5
432	K	28.6	Very low	26.1	Very low	203 Å²	203	155.8 Å²	155.8	88%	0.883	80%	0.802	S	S	*	*			trans	-168.1	85.8	133.3	-101	155.2	-168.4	177.4	0	110.4	K434	K432-K434 PolarHBondContact O-N 3.26Å
433	K	25.1	Very low	26.2	Very low	189 Å²	189	158.3 Å²	158.3	82%	0.822	80%	0.8	S	S	*	*			trans	-68.1	108.1	163.7	-139	173.6	-171.2	172.3	0	107.1
434	K	29.2	Very low	26	Very low	200 Å²	200	160.8 Å²	160.8	87%	0.87	80%	0.796	S	S	*	*			trans	-122.1	96.1	160.6	-81	-166.6	176.8	-175.7	0	108.4	K432	K432-K434 PolarHBondContact O-N 3.26Å
435	R	24.5	Very low	26.3	Very low	235 Å²	235	159.1 Å²	159.1	89%	0.887	80%	0.796	S	S	*	*			trans	-75.5	121.5	158.4	-75.3	-179	163.5	163.9	-5.4	107
436	G	29.6	Very low	26.4	Very low	75 Å²	75	156.4 Å²	156.4	77%	0.773	79%	0.786	S	S	*	*			trans	-154.5	105.9	170.5	0	0	0	0	0	107.7
437	L	31.4	Very low	26.5	Very low	150 Å²	150	161.6 Å²	161.6	79%	0.785	80%	0.796	S	S	*	*			trans	-77	148	172	-74.4	158	0	0	0	109.4
438	F	28.3	Very low	26.7	Very low	189 Å²	189	164.9 Å²	164.9	83%	0.829	80%	0.803	S	S	*	*			trans	75.7	88.6	166.6	-44.1	-66.4	0	0	0	117.5
439	S	27.9	Very low	27	Very low	126 Å²	126	163.9 Å²	163.9	88%	0.881	81%	0.809	S	S	*	*			trans	-115.3	93.9	143.3	70.9	0	0	0	0	108.9
440	R	27.2	Very low	27.6	Very low	233 Å²	233	163.4 Å²	163.4	88%	0.879	81%	0.814	S	S	*	*			trans	-77.5	132.9	165.9	-150.8	176	-179	177	-0.7	107
441	L	24.3	Very low	27.7	Very low	158 Å²	158	167.1 Å²	167.1	83%	0.827	82%	0.816	S	S	*	*			trans	94	120.5	164.4	-54	176.2	0	0	0	119.2
442	S	25.1	Very low	27.9	Very low	98 Å²	98	169.4 Å²	169.4	69%	0.685	82%	0.82	S	S	*	*			trans	82.4	100	134.3	-179.2	0	0	0	0	117.7
443	Y	26.4	Very low	27.6	Very low	221 Å²	221	169.6 Å²	169.6	87%	0.867	82%	0.82	S	S	*	*			trans	-130.9	116.8	143	-133	-95.9	0	0	0	111.1
444	K	27.5	Very low	27.6	Very low	174 Å²	174	166.2 Å²	166.2	76%	0.757	82%	0.818	S	S	*	*			trans	-73.6	137.5	166.1	-73.8	176.9	173.6	173.8	0	109
445	S	29.6	Very low	27.1	Very low	118 Å²	118	162 Å²	162	83%	0.825	81%	0.814	S	S	*	*			trans	27.6	111.1	144.1	-52.4	0	0	0	0	118.8
446	V	30.5	Very low	27	Very low	102 Å²	102	157.9 Å²	157.9	62%	0.618	81%	0.808	S	S	*	*			trans	-112.8	101	154.8	174.8	0	0	0	0	107.8	R448	V446-R448 HydrophobicContact CG1-CG 3.95Å; V446-R448 PolarHBondContact O-N 3.44Å
447	K	23.9	Very low	26.8	Very low	208 Å²	208	162 Å²	162	90%	0.904	81%	0.808	S	S	*	*			trans	-70.4	113	160.5	-93	-179.7	171.3	176.6	0	106.9
448	R	27.2	Very low	26.2	Very low	218 Å²	218	163.4 Å²	163.4	82%	0.823	81%	0.81	S	S	*	*			trans	-109.2	104.9	158	-80.2	-179.7	-170.6	150.3	1.5	107.9	V446	V446-R448 HydrophobicContact CG1-CG 3.95Å; V446-R448 PolarHBondContact O-N 3.44Å
449	S	27.3	Very low	26.2	Very low	105 Å²	105	159.9 Å²	159.9	73%	0.734	81%	0.809	S	S	*	*			trans	-70.6	121.2	161	176.3	0	0	0	0	107.3
450	L	35.3	Very low	25.9	Very low	158 Å²	158	159.4 Å²	159.4	83%	0.827	80%	0.801	S	S	*	*			trans	-120.8	116.8	165	-84.6	163.6	0	0	0	107.2
451	F	29	Very low	25.9	Very low	186 Å²	186	157.9 Å²	157.9	82%	0.816	80%	0.8	S	S	*	*			trans	-38	139.6	175.3	-60.8	-96.8	0	0	0	115.3
452	K	28.6	Very low	25.9	Very low	212 Å²	212	155.8 Å²	155.8	92%	0.922	80%	0.797	S	S	*	*				-170.4	120.1	115	-101.5	171.4	-177.6	-177.3	0	109.6
453	K	22.7	Very low	25.7	Very low	206 Å²	206	159.2 Å²	159.2	90%	0.896	81%	0.807	S	S	*	*			trans	-117.9	126.6	-179.1	-157.4	-175	-170.3	-175.7	0	106.6
454	P	23.5	Very low	25.6	Very low	119 Å²	119	153.9 Å²	153.9	77%	0.773	80%	0.802	S	S	*	*			trans	-116.7	104.6	147.1	29.5	-16.1	0	0	0	106.8
455	S	19.7	Very low	25.5	Very low	111 Å²	111	151.1 Å²	151.1	78%	0.776	80%	0.803	S	S	*	*				52.4	90.5	80.4	-174.8	0	0	0	0	113.2
456	L	23	Very low	25.3	Very low	149 Å²	149	154.9 Å²	154.9	78%	0.78	81%	0.805	S	S	*	*			trans	-154.5	121	152.4	-162.7	122.2	0	0	0	109.8
457	E	23.6	Very low	24.8	Very low	162 Å²	162	155.3 Å²	155.3	76%	0.757	81%	0.812	S	S	*	*			trans	42.8	110.2	155.1	-68.6	170.3	152.3	0	0	119.1
458	E	20.6	Very low	25	Very low	178 Å²	178	154.6 Å²	154.6	83%	0.832	81%	0.812	S	S	*	*				62.9	89.2	73.9	-163.4	164.6	-164	0	0	113.3
459	S	27.5	Very low	24.9	Very low	116 Å²	116	155.3 Å²	155.3	81%	0.811	82%	0.815	S	S	*	*			trans	-150.6	136.3	144.1	51.7	0	0	0	0	110.7
460	V	21.1	Very low	24.9	Very low	116 Å²	116	156.3 Å²	156.3	70%	0.703	82%	0.819	S	S	*	*			trans	-89.7	121.7	-166.5	169.7	0	0	0	0	108.7
461	F	27	Very low	24.6	Very low	200 Å²	200	156.9 Å²	156.9	88%	0.877	82%	0.822	S	S	*	*			trans	-143.5	136.9	151.3	-82	-72.2	0	0	0	110.7
462	P	25.8	Very low	24.6	Very low	115 Å²	115	153.3 Å²	153.3	75%	0.747	82%	0.82	S	S	*	*			trans	-91.1	155.7	-160.5	35.5	-34.7	0	0	0	114.7
463	D	20.8	Very low	24.7	Very low	170 Å²	170	153.2 Å²	153.2	91%	0.909	82%	0.82	S	S	*	*			trans	-52.9	132.4	170.9	-69.5	-54.4	0	0	0	113.8
464	S	23.3	Very low	25.1	Very low	108 Å²	108	152.1 Å²	152.1	76%	0.755	82%	0.818	S	S	*	*			trans	-176.3	114.6	133.3	-163.7	0	0	0	0	110.8
465	C	26	Very low	25.4	Very low	116 Å²	116	157.7 Å²	157.7	78%	0.784	82%	0.823	S	S	*	*			trans	157.8	96	134.7	-79.3	0	0	0	0	112.8
466	K	24.4	Very low	26.1	Very low	198 Å²	198	159.9 Å²	159.9	86%	0.861	83%	0.826	S	S	*	*			trans	37	105.3	130.8	-59.4	-178.4	-178.7	177.1	0	119.7
467	S	20.9	Very low	26.6	Very low	110 Å²	110	164 Å²	164	77%	0.769	83%	0.831	S	S	*	*				42.5	93.6	120.3	-178.8	0	0	0	0	119.3
468	E	27.8	Very low	27.1	Very low	194 Å²	194	162 Å²	162	91%	0.907	84%	0.835	S	S	*	*			trans	-131.8	135.8	142.8	-71.2	-155.9	154.1	0	0	111
469	R	25.7	Very low	27.9	Very low	233 Å²	233	163.4 Å²	163.4	88%	0.879	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-73.8	144.2	-167.1	-72.6	172.8	173	160.1	-3.1	111.9	L471	R469-L471 PolarHBondContact O-N 2.97Å
470	P	26.8	Very low	28.2	Very low	126 Å²	126	164.5 Å²	164.5	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-82.9	119.3	-172.1	31.6	-32.5	0	0	0	112.6	S472	P470-S472 PolarHBondContact O-N 3.33Å
471	L	28	Very low	28.7	Very low	170 Å²	170	164.5 Å²	164.5	89%	0.89	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-60.3	120.3	165.4	-87.6	141.3	0	0	0	110.4	R469 K473	R469-L471 PolarHBondContact O-N 2.97Å; L471-K473 PolarHBondContact O-N 3.47Å
472	S	29.8	Very low	29	Very low	111 Å²	111	160 Å²	160	78%	0.776	84%	0.844	S	S	*	*			trans	-64.3	115.2	179.1	57.9	0	0	0	0	111.1	P470 Q474	P470-S472 PolarHBondContact O-N 3.33Å; S472-Q474 PolarHBondContact O-N 3.13Å
473	K	30.8	Very low	29.8	Very low	210 Å²	210	163.5 Å²	163.5	91%	0.913	85%	0.848	S	S	*	*			trans	-62.8	98.4	171.6	-79	175	175	172.4	0	110.4	L471 R475	L471-K473 PolarHBondContact O-N 3.47Å; K473-R475 PolarHBondContact O-N 3.17Å
474	Q	31.8	Very low	31.1	Very low	183 Å²	183	161.2 Å²	161.2	86%	0.855	84%	0.84	S	S	*	*			trans	-68.2	121.9	173.7	-166	169.3	-41.4	0	0	109.6	S472 N476	S472-Q474 PolarHBondContact O-N 3.13Å; Q474-N476 PolarHBondContact O-N 3.04Å
475	R	29.8	Very low	32.5	Very low	236 Å²	236	163 Å²	163	89%	0.891	85%	0.846	S	S	*	*			trans	-76.8	111.9	-169.8	-158.4	167.4	74.2	145.6	3.5	110.6	K473 R477	K473-R475 PolarHBondContact O-N 3.17Å; R475-R477 PolarHBondContact O-N 3.33Å; R475-R477 VanDerWaalsContact O-N 3.16Å
476	N	32.6	Very low	34.4	Very low	156 Å²	156	159.9 Å²	159.9	83%	0.834	82%	0.823	S	S	*	*			trans	-58.4	111.3	176.1	-75.1	-21.2	0	0	0	111.3	Q474 S478	Q474-N476 PolarHBondContact O-N 3.04Å; N476-S478 PolarHBondContact O-N 2.78Å
477	R	34.3	Very low	36.8	Very low	235 Å²	235	156.4 Å²	156.4	89%	0.887	81%	0.81	S	S	*	*			trans	-78.7	113.2	170.9	-83.2	176.3	113.5	169.8	0.4	109.1	R475 K479	R475-R477 PolarHBondContact O-N 3.33Å; R475-R477 VanDerWaalsContact O-N 3.16Å; R477-K479 PolarHBondContact O-N 3.47Å
478	S	33.9	Very low	39.8	Very low	120 Å²	120	155.5 Å²	155.5	84%	0.839	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-56.4	118.9	173.9	-44.2	0	0	0	0	110.5	N476	N476-S478 PolarHBondContact O-N 2.78Å
479	K	37.3	Very low	42.4	Very low	208 Å²	208	149.4 Å²	149.4	90%	0.904	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.5	133	178.3	-67.3	174.6	-179.5	171.9	0	109.7	R477	R477-K479 PolarHBondContact O-N 3.47Å
480	T	33.3	Very low	45.5	Very low	139 Å²	139	140.2 Å²	140.2	85%	0.853	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-74.7	125.4	179.9	49.2	0	0	0	0	110.7
481	C	32.9	Very low	48.6	Very low	117 Å²	117	138.7 Å²	138.7	79%	0.791	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-70.8	139.7	170.5	45.1	0	0	0	0	110.8	K483	C481-K483 PolarHBondContact O-N 3.05Å
482	A	34.1	Very low	51.6	Low	105 Å²	105	131 Å²	131	87%	0.868	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-62.2	127.1	169.4	0	0	0	0	0	108.5
483	K	41.8	Very low	54.6	Low	189 Å²	189	128 Å²	128	82%	0.822	66%	0.658	S	S	*	*			trans	-94.9	112	-173.4	-151.2	176.4	-175.7	-174.8	0	106.9	C481 V485	C481-K483 PolarHBondContact O-N 3.05Å; K483-V485 PolarHBondContact O-N 3.44Å; K483-V485 VanDerWaalsContact O-N 3.13Å
484	T	48.8	Very low	57.5	Low	121 Å²	121	118 Å²	118	74%	0.742	62%	0.615	S	S	*	*			trans	-54.4	121.1	170.3	-47.2	0	0	0	0	107.7	V486	T484-V486 VanDerWaalsContact C-N 3.35Å; T484-V486 HydrophobicContact CG2-CG2 3.96Å; T484-V486 PolarHBondContact O-N 2.69Å
485	V	51.7	Low	60.3	Low	147 Å²	147	111.3 Å²	111.3	89%	0.891	59%	0.585	S	S	*	*			trans	-78.1	94	178	-179	0	0	0	0	106.6	K483	K483-V485 PolarHBondContact O-N 3.44Å; K483-V485 VanDerWaalsContact O-N 3.13Å
486	V	65.9	Low	63.2	Low	49 Å²	49	100 Å²	100	30%	0.297	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-99.3	132.9	172.6	-159.5	0	0	0	0	107.2	T484 I488 V515 K516 T517	T484-V486 VanDerWaalsContact C-N 3.35Å; T484-V486 HydrophobicContact CG2-CG2 3.96Å; T484-V486 PolarHBondContact O-N 2.69Å; V486-I488 PolarHBondContact O-N 3.3Å; V486-V515 HydrophobicContact CB-CB 4.35Å; V486-V515 HydrophobicContact CG1-CB 3.56Å; V486-V515 HydrophobicContact CG1-CG1 4.48Å; V486-V515 HydrophobicContact CG1-CG2 3.77Å; V486-K516 WeakPolarHBondContact CG1-O 3.47Å; V486-T517 HydrophobicContact CG1-CG2 4Å
487	E	75	Confident	65.8	Low	126 Å²	126	93.1 Å²	93.1	59%	0.589	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	118.9	176.3	-175.1	-177.3	-172	0	0	108.8	V515 K516	E487-V515 CarbonylContact O-C 3.48Å; E487-V515 WeakPolarHBondContact O-CA 3.23Å; E487-K516 HydrophobicContact CB-CB 4.21Å; E487-K516 PolarHBondContact O-N 2.97Å
488	I	82.9	Confident	67.9	Low	91 Å²	91	83.5 Å²	83.5	47%	0.467	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.5	177.2	-59.4	173.1	0	0	0	107.7	V486 E491 V513 V515	V486-I488 PolarHBondContact O-N 3.3Å; I488-E491 HydrophobicContact CG2-CB 3.99Å; I488-V513 HydrophobicContact CG1-CG1 4.44Å; I488-V513 HydrophobicContact CG2-CG1 3.87Å; I488-V515 HydrophobicContact CG1-CG1 4.19Å
489	I	84.2	Confident	69.2	Low	66 Å²	66	79.2 Å²	79.2	34%	0.338	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-44.5	179.5	-57.3	177	0	0	0	109.8	L514 K516 Y521	I489-L514 HydrophobicContact CB-CD2 4.33Å; I489-L514 HydrophobicContact CB-CG 4.17Å; I489-L514 HydrophobicContact CD1-CG 4.35Å; I489-L514 HydrophobicContact CG2-CD2 4.24Å; I489-L514 PolarHBondContact N-O 2.98Å; I489-K516 HydrophobicContact CD1-CB 4.08Å; I489-K516 HydrophobicContact CG1-CB 4.37Å; I489-Y521 HydrophobicContact CD1-CD1 3.15Å; I489-Y521 HydrophobicContact CD1-CE1 3.17Å; I489-Y521 HydrophobicContact CD1-CG 4.39Å
490	H	89.9	Confident	70.2	Confident	40 Å²	40	80.3 Å²	80.3	19%	0.185	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	136.6	-179.5	-157.6	56.7	0	0	0	110.9	V513 L514 E589 W590 A593	H490-V513 CarbonylContact O-C 3.55Å; H490-V513 WeakPolarHBondContact O-CA 3.2Å; H490-L514 HydrophobicContact CB-CB 4.2Å; H490-L514 PolarHBondContact N-O 2.84Å; H490-L514 PolarHBondContact O-N 3.29Å; H490-E589 IonicContact CE1-OE2 3.39Å; H490-W590 HydrophobicContact CB-CH2 4.3Å; H490-W590 HydrophobicContact CB-CZ3 4.16Å; H490-W590 AromaticContact CD2-CD2 3.44Å; H490-W590 VanDerWaalsContact CD2-CD2 3.44Å; H490-W590 AromaticContact CD2-CE2 3.48Å; H490-W590 VanDerWaalsContact CD2-CE2 3.48Å; H490-W590 AromaticContact CD2-CE3 3.48Å; H490-W590 VanDerWaalsContact CD2-CE3 3.48Å; H490-W590 AromaticContact CD2-CH2 3.65Å; H490-W590 AromaticContact CD2-CZ2 3.61Å; H490-W590 AromaticContact CD2-CZ3 3.58Å; H490-W590 AromaticContact NE2-CD2 3.91Å; H490-W590 AromaticContact NE2-CE2 3.8Å; H490-W590 AromaticContact NE2-NE1 3.96Å; H490-A593 HydrophobicContact CB-CB 4.4Å
491	E	92.2	Very high	71.1	Confident	94 Å²	94	77.6 Å²	77.6	44%	0.439	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132	179.4	175.5	175.6	-179.6	0	0	108.5	I488 R511 M512 V513	I488-E491 HydrophobicContact CG2-CB 3.99Å; E491-R511 HydrophobicContact CG-CG 4.3Å; E491-R511 WeakPolarHBondContact OE1-CD 3.49Å; E491-R511 IonicContact OE1-CZ 3.14Å; E491-R511 IonicContact OE1-NE 2.79Å; E491-R511 IonicContact OE1-NH1 3.2Å; E491-R511 PolarHBondContact OE1-NH1 3.18Å; E491-M512 WeakPolarHBondContact CA-O 3.23Å; E491-V513 HydrophobicContact CB-CG1 4.33Å; E491-V513 HydrophobicContact CG-CG2 4.21Å
492	G	90.7	Very high	72.1	Confident	8 Å²	8	74.5 Å²	74.5	8%	0.082	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159	-176.4	0	0	0	0	0	111.3	R511 M512	G492-R511 WeakPolarHBondContact O-CA 3.48Å; G492-R511 WeakPolarHBondContact O-CG 3.35Å; G492-M512 PolarHBondContact N-O 3.28Å; G492-M512 PolarHBondContact O-N 2.96Å
493	S	91.9	Very high	73.2	Confident	47 Å²	47	77.1 Å²	77.1	33%	0.329	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.7	173.4	-22.5	0	0	0	0	108.9	G510 K582	S493-G510 WeakPolarHBondContact CA-O 3.48Å; S493-K582 VanDerWaalsContact CB-CE 3.41Å; S493-K582 VanDerWaalsContact CB-NZ 3.35Å; S493-K582 WeakPolarHBondContact O-CE 3.36Å; S493-K582 PolarHBondContact OG-NZ 3.35Å
494	V	92.8	Very high	74	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.012	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.9	-174.6	-60	0	0	0	0	109.1	F496 G510 M512 V579 Q580	V494-F496 HydrophobicContact CG2-CD1 4.32Å; V494-G510 PolarHBondContact N-O 2.87Å; V494-G510 CarbonylContact O-C 3.14Å; V494-G510 WeakPolarHBondContact O-CA 3.49Å; V494-G510 PolarHBondContact O-N 2.73Å; V494-M512 HydrophobicContact CG1-CB 4.43Å; V494-M512 HydrophobicContact CG2-CB 3.59Å; V494-M512 HydrophobicContact CG2-SD 4.41Å; V494-V579 HydrophobicContact CB-CG1 3.64Å; V494-V579 HydrophobicContact CG1-CG1 4.03Å; V494-V579 HydrophobicContact CG2-CG1 3.76Å; V494-Q580 WeakPolarHBondContact CA-O 3.37Å; V494-Q580 WeakPolarHBondContact CB-O 3.48Å
495	N	91.3	Very high	74.8	Confident	41 Å²	41	78.1 Å²	78.1	22%	0.219	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.8	165.2	-50.9	-39.9	0	0	0	107.7	W507 E508 K509 V579 Q580	N495-W507 HydrophobicContact CB-CE3 3.73Å; N495-W507 HydrophobicContact CB-CZ3 4.34Å; N495-E508 CarbonylContact C-O 3.54Å; N495-E508 VanDerWaalsContact CA-O 3.24Å; N495-E508 WeakPolarHBondContact CA-O 3.2Å; N495-K509 WeakPolarHBondContact OD1-CA 3.45Å; N495-K509 WeakPolarHBondContact OD1-CG 3.32Å; N495-V579 CarbonylContact O-C 3.57Å; N495-V579 WeakPolarHBondContact O-CA 3.35Å; N495-Q580 HydrophobicContact CB-CB 4.24Å; N495-Q580 PolarHBondContact N-O 3.48Å; N495-Q580 PolarHBondContact ND2-OE1 2.96Å; N495-Q580 PolarHBondContact O-N 3.05Å
496	F	90.4	Very high	75.8	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154	-179.9	62.8	-96.4	0	0	0	112	V494 E508 F525 A527 I578 V579	V494-F496 HydrophobicContact CG2-CD1 4.32Å; F496-E508 HydrophobicContact CE2-CB 4.33Å; F496-E508 HydrophobicContact CZ-CB 4.49Å; F496-E508 PolarHBondContact N-O 3.44Å; F496-E508 PolarHBondContact O-N 2.9Å; F496-F525 AromaticContact CD1-CD1 3.76Å; F496-F525 HydrophobicContact CD1-CD1 3.76Å; F496-F525 HydrophobicContact CD1-CE1 4.49Å; F496-F525 HydrophobicContact CD2-CD1 4.34Å; F496-F525 HydrophobicContact CE1-CB 4.03Å; F496-F525 AromaticContact CE1-CD1 3.95Å; F496-F525 HydrophobicContact CE1-CD1 3.95Å; F496-F525 HydrophobicContact CE1-CG 4.49Å; F496-F525 AromaticContact CG-CD1 3.95Å; F496-F525 HydrophobicContact CG-CD1 3.95Å; F496-F525 HydrophobicContact CG-CE1 4.41Å; F496-F525 HydrophobicContact CZ-CB 3.96Å; F496-F525 HydrophobicContact CZ-CD1 4.35Å; F496-A527 HydrophobicContact CE1-CB 4.24Å; F496-A527 HydrophobicContact CZ-CB 3.72Å; F496-I578 CarbonylContact C-O 3.5Å; F496-I578 VanDerWaalsContact CA-O 3.24Å; F496-I578 WeakPolarHBondContact CA-O 3.36Å; F496-V579 HydrophobicContact CB-CG2 4.14Å
497	I	86.3	Confident	76.7	Confident	10 Å²	10	78.4 Å²	78.4	5%	0.051	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.1	171	-59.2	170	0	0	0	107.5	L502 W507 Y577 I578	I497-L502 HydrophobicContact CG2-CD2 4.04Å; I497-L502 HydrophobicContact CG2-CG 4.26Å; I497-W507 HydrophobicContact CD1-CD2 3.54Å; I497-W507 VanDerWaalsContact CD1-CE2 3.43Å; I497-W507 HydrophobicContact CD1-CE3 3.97Å; I497-W507 HydrophobicContact CD1-CG 3.91Å; I497-W507 HydrophobicContact CD1-CH2 4.22Å; I497-W507 HydrophobicContact CD1-CZ2 3.81Å; I497-W507 HydrophobicContact CD1-CZ3 4.28Å; I497-W507 HydrophobicContact CG1-CD2 3.82Å; I497-W507 HydrophobicContact CG1-CE3 3.86Å; I497-W507 HydrophobicContact CG1-CG 4.15Å; I497-W507 HydrophobicContact CG1-CZ3 4.3Å; I497-Y577 VanDerWaalsContact O-CA 3.3Å; I497-Y577 WeakPolarHBondContact O-CA 3.12Å; I497-I578 PolarHBondContact N-O 2.97Å; I497-I578 PolarHBondContact O-N 2.85Å; I497-I578 VanDerWaalsContact O-N 3.12Å
498	C	78.5	Confident	77.2	Confident	33 Å²	33	75.1 Å²	75.1	22%	0.223	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.9	178.2	-171.9	0	0	0	0	110.5	R500 E501 Y577	C498-R500 VanDerWaalsContact C-N 3.31Å; C498-R500 PolarHBondContact O-N 3.11Å; C498-E501 PolarHBondContact O-N 2.61Å; C498-Y577 HydrophobicContact CB-CD1 4.15Å; C498-Y577 HydrophobicContact CB-CE1 3.81Å; C498-Y577 VanDerWaalsContact SG-CE1 3.55Å
499	G	62.1	Low	77.5	Confident	31 Å²	31	78.1 Å²	78.1	32%	0.32	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-48.5	-31.4	-166.1	0	0	0	0	0	119	E501 E576	G499-E501 PolarHBondContact O-N 2.94Å; G499-E576 PolarHBondContact N-O 3.48Å
500	R	57	Low	77.9	Confident	230 Å²	230	75 Å²	75	87%	0.868	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-71.1	-12.9	175.4	-71.7	-167.8	-174.9	-172.6	1.4	113.9	C498	C498-R500 VanDerWaalsContact C-N 3.31Å; C498-R500 PolarHBondContact O-N 3.11Å
501	E	52.5	Low	78	Confident	82 Å²	82	76.2 Å²	76.2	38%	0.383	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-120.7	8.7	-177.5	-74.1	171.7	149.2	0	0	112.8	C498 G499 D503 R504	C498-E501 PolarHBondContact O-N 2.61Å; G499-E501 PolarHBondContact O-N 2.94Å; E501-D503 PolarHBondContact O-N 3.01Å; E501-R504 PolarHBondContact O-N 2.87Å
502	L	54.4	Low	78.1	Confident	53 Å²	53	71.8 Å²	71.8	28%	0.277	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-52.4	-38.5	171.8	-82.7	163.7	0	0	0	110.9	I497 R504 E505 E576 I578	I497-L502 HydrophobicContact CG2-CD2 4.04Å; I497-L502 HydrophobicContact CG2-CG 4.26Å; L502-R504 PolarHBondContact O-N 2.79Å; L502-E505 PolarHBondContact O-N 2.92Å; L502-E576 HydrophobicContact CD1-CG 4.46Å; L502-I578 HydrophobicContact CD2-CD1 3.4Å; L502-I578 HydrophobicContact CD2-CG1 3.96Å
503	D	57.4	Low	78.3	Confident	159 Å²	159	71.6 Å²	71.6	85%	0.85	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-58	-20.7	177.5	-68.4	-15	0	0	0	115	E501	E501-D503 PolarHBondContact O-N 3.01Å
504	R	58.3	Low	78.3	Confident	176 Å²	176	69.4 Å²	69.4	66%	0.664	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-109.5	-0.5	-175.1	-65.3	-170.8	-179.1	-107.8	5.3	114.3	E501 L502 K506	E501-R504 PolarHBondContact O-N 2.87Å; L502-R504 PolarHBondContact O-N 2.79Å; R504-K506 HydrophobicContact CB-CD 4.27Å; R504-K506 HydrophobicContact CB-CG 4.02Å; R504-K506 WeakPolarHBondContact O-CG 3.24Å; R504-K506 PolarHBondContact O-N 2.87Å
505	E	65.8	Low	78.1	Confident	155 Å²	155	69.7 Å²	69.7	72%	0.724	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	25.9	-179.6	-58.8	179.1	162.8	0	0	113.7	L502 W507	L502-E505 PolarHBondContact O-N 2.92Å; E505-W507 PolarHBondContact O-N 2.86Å
506	K	73.1	Confident	77.7	Confident	124 Å²	124	72 Å²	72	54%	0.539	33%	0.327	S	S	.	.			trans	-82.1	85	-176	-75.6	-175.2	-179.5	-177	0	110	R504 E508	R504-K506 HydrophobicContact CB-CD 4.27Å; R504-K506 HydrophobicContact CB-CG 4.02Å; R504-K506 WeakPolarHBondContact O-CG 3.24Å; R504-K506 PolarHBondContact O-N 2.87Å; K506-E508 PolarHBondContact O-N 3.46Å
507	W	83	Confident	77	Confident	79 Å²	79	73.9 Å²	73.9	30%	0.299	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-58.8	119.7	173.3	-71.3	91.7	0	0	0	111.8	N495 I497 E505 C557 T560 I578 Q580	N495-W507 HydrophobicContact CB-CE3 3.73Å; N495-W507 HydrophobicContact CB-CZ3 4.34Å; I497-W507 HydrophobicContact CD1-CD2 3.54Å; I497-W507 VanDerWaalsContact CD1-CE2 3.43Å; I497-W507 HydrophobicContact CD1-CE3 3.97Å; I497-W507 HydrophobicContact CD1-CG 3.91Å; I497-W507 HydrophobicContact CD1-CH2 4.22Å; I497-W507 HydrophobicContact CD1-CZ2 3.81Å; I497-W507 HydrophobicContact CD1-CZ3 4.28Å; I497-W507 HydrophobicContact CG1-CD2 3.82Å; I497-W507 HydrophobicContact CG1-CE3 3.86Å; I497-W507 HydrophobicContact CG1-CG 4.15Å; I497-W507 HydrophobicContact CG1-CZ3 4.3Å; E505-W507 PolarHBondContact O-N 2.86Å; W507-C557 HydrophobicContact CZ2-CB 4.08Å; W507-T560 HydrophobicContact CH2-CG2 3.81Å; W507-I578 HydrophobicContact CH2-CG2 3.93Å; W507-Q580 HydrophobicContact CE3-CB 4.28Å; W507-Q580 HydrophobicContact CH2-CB 3.94Å; W507-Q580 HydrophobicContact CZ3-CB 3.54Å
508	E	87.4	Confident	75.8	Confident	57 Å²	57	81 Å²	81	27%	0.266	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.2	172	-66.2	-165.4	152.2	0	0	110.3	N495 F496 K506 K535	N495-E508 CarbonylContact C-O 3.54Å; N495-E508 VanDerWaalsContact CA-O 3.24Å; N495-E508 WeakPolarHBondContact CA-O 3.2Å; F496-E508 HydrophobicContact CE2-CB 4.33Å; F496-E508 HydrophobicContact CZ-CB 4.49Å; F496-E508 PolarHBondContact N-O 3.44Å; F496-E508 PolarHBondContact O-N 2.9Å; K506-E508 PolarHBondContact O-N 3.46Å; E508-K535 IonicContact OE1-NZ 3.13Å; E508-K535 PolarHBondContact OE1-NZ 3.32Å; E508-K535 IonicContact OE2-NZ 3.99Å; E508-K535 PolarHBondContact OE2-NZ 3.48Å
509	K	88.7	Confident	74.7	Confident	154 Å²	154	81.6 Å²	81.6	67%	0.67	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	127	172.3	-56.1	-164.7	174.4	174.8	0	109.3	N495 P529	N495-K509 WeakPolarHBondContact OD1-CA 3.45Å; N495-K509 WeakPolarHBondContact OD1-CG 3.32Å; K509-P529 WeakPolarHBondContact O-CD 3.46Å
510	G	91.5	Very high	74.9	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-176	-177.4	0	0	0	0	0	115	S493 V494 Y526	S493-G510 WeakPolarHBondContact CA-O 3.48Å; V494-G510 PolarHBondContact N-O 2.87Å; V494-G510 CarbonylContact O-C 3.14Å; V494-G510 WeakPolarHBondContact O-CA 3.49Å; V494-G510 PolarHBondContact O-N 2.73Å; G510-Y526 CarbonylContact C-O 3.46Å; G510-Y526 WeakPolarHBondContact CA-O 3.46Å
511	R	93.2	Very high	76.2	Confident	65 Å²	65	72 Å²	72	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.8	171.7	174.7	179.5	68.7	155.7	1.4	108	E491 G492 V513 Y526 P529	E491-R511 HydrophobicContact CG-CG 4.3Å; E491-R511 WeakPolarHBondContact OE1-CD 3.49Å; E491-R511 IonicContact OE1-CZ 3.14Å; E491-R511 IonicContact OE1-NE 2.79Å; E491-R511 IonicContact OE1-NH1 3.2Å; E491-R511 PolarHBondContact OE1-NH1 3.18Å; G492-R511 WeakPolarHBondContact O-CA 3.48Å; G492-R511 WeakPolarHBondContact O-CG 3.35Å; R511-V513 HydrophobicContact CG-CG2 3.94Å; R511-Y526 PolarHBondContact N-O 2.84Å; R511-Y526 PolarHBondContact O-N 3.37Å; R511-P529 HydrophobicContact CB-CB 4.03Å; R511-P529 PolarHBondContact NE-O 3.35Å
512	M	93.9	Very high	77.8	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.8	175.2	-167.7	164	84.6	0	0	108.9	E491 G492 V494 L523 E524 F525 F561 W590 I594	E491-M512 WeakPolarHBondContact CA-O 3.23Å; G492-M512 PolarHBondContact N-O 3.28Å; G492-M512 PolarHBondContact O-N 2.96Å; V494-M512 HydrophobicContact CG1-CB 4.43Å; V494-M512 HydrophobicContact CG2-CB 3.59Å; V494-M512 HydrophobicContact CG2-SD 4.41Å; M512-L523 HydrophobicContact CE-CD1 4.16Å; M512-L523 HydrophobicContact CG-CD1 3.68Å; M512-L523 HydrophobicContact CG-CG 4.1Å; M512-L523 HydrophobicContact SD-CD1 4.03Å; M512-L523 HydrophobicContact SD-CD2 4.02Å; M512-L523 HydrophobicContact SD-CG 4.18Å; M512-E524 CarbonylContact C-O 3.57Å; M512-E524 WeakPolarHBondContact CA-O 3.1Å; M512-F525 HydrophobicContact CG-CD1 4.3Å; M512-F525 HydrophobicContact CG-CE1 4.13Å; M512-F525 HydrophobicContact CG-CZ 4.43Å; M512-F525 HydrophobicContact SD-CD1 4.09Å; M512-F525 HydrophobicContact SD-CE1 3.37Å; M512-F525 WeakPolarHBondContact SD-CE1 3.45Å; M512-F525 HydrophobicContact SD-CZ 3.63Å; M512-F561 HydrophobicContact CE-CZ 3.94Å; M512-W590 HydrophobicContact CB-CH2 3.88Å; M512-W590 HydrophobicContact CB-CZ2 3.84Å; M512-W590 HydrophobicContact CE-CD2 3.2Å; M512-W590 HydrophobicContact CE-CE3 3.09Å; M512-W590 HydrophobicContact CE-CG 3.89Å; M512-W590 HydrophobicContact CE-CH2 3.7Å; M512-W590 HydrophobicContact CE-CZ2 3.79Å; M512-W590 HydrophobicContact CE-CZ3 3.36Å; M512-W590 HydrophobicContact CG-CH2 3.81Å; M512-W590 HydrophobicContact CG-CZ2 4.2Å; M512-W590 HydrophobicContact CG-CZ3 4.12Å; M512-W590 VanDerWaalsContact O-CH2 3.31Å; M512-W590 WeakPolarHBondContact O-CH2 3.45Å; M512-W590 WeakPolarHBondContact O-CZ2 3.43Å; M512-I594 HydrophobicContact CE-CD1 4.05Å
513	V	94	Very high	79.6	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.9	-176	-164.2	0	0	0	0	108.7	I488 H490 E491 R511 V515 E524 Y526	I488-V513 HydrophobicContact CG1-CG1 4.44Å; I488-V513 HydrophobicContact CG2-CG1 3.87Å; H490-V513 CarbonylContact O-C 3.55Å; H490-V513 WeakPolarHBondContact O-CA 3.2Å; E491-V513 HydrophobicContact CB-CG1 4.33Å; E491-V513 HydrophobicContact CG-CG2 4.21Å; R511-V513 HydrophobicContact CG-CG2 3.94Å; V513-V515 HydrophobicContact CB-CG1 4.43Å; V513-V515 HydrophobicContact CG1-CG1 3.57Å; V513-E524 PolarHBondContact N-O 3.14Å; V513-E524 PolarHBondContact O-N 3.29Å; V513-Y526 HydrophobicContact CB-CE2 4.29Å; V513-Y526 HydrophobicContact CG2-CD2 3.9Å; V513-Y526 HydrophobicContact CG2-CE2 3.69Å
514	L	92.9	Very high	81.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.5	172	176.7	60.8	0	0	0	108.7	I489 H490 L523 C540 W590 A593 C597	I489-L514 HydrophobicContact CB-CD2 4.33Å; I489-L514 HydrophobicContact CB-CG 4.17Å; I489-L514 HydrophobicContact CD1-CG 4.35Å; I489-L514 HydrophobicContact CG2-CD2 4.24Å; I489-L514 PolarHBondContact N-O 2.98Å; H490-L514 HydrophobicContact CB-CB 4.2Å; H490-L514 PolarHBondContact N-O 2.84Å; H490-L514 PolarHBondContact O-N 3.29Å; L514-L523 HydrophobicContact CB-CD1 4Å; L514-L523 HydrophobicContact CD1-CD1 4.3Å; L514-C540 WeakPolarHBondContact CD1-SG 3.48Å; L514-W590 HydrophobicContact CB-CZ3 4.06Å; L514-A593 HydrophobicContact CD2-CB 4.05Å; L514-C597 HydrophobicContact CD2-CB 4.45Å
515	V	89	Confident	82.9	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.1	-174.1	-56.5	0	0	0	0	111.7	V486 E487 I488 V513 T517 Y521 L522	V486-V515 HydrophobicContact CB-CB 4.35Å; V486-V515 HydrophobicContact CG1-CB 3.56Å; V486-V515 HydrophobicContact CG1-CG1 4.48Å; V486-V515 HydrophobicContact CG1-CG2 3.77Å; E487-V515 CarbonylContact O-C 3.48Å; E487-V515 WeakPolarHBondContact O-CA 3.23Å; I488-V515 HydrophobicContact CG1-CG1 4.19Å; V513-V515 HydrophobicContact CB-CG1 4.43Å; V513-V515 HydrophobicContact CG1-CG1 3.57Å; V515-T517 HydrophobicContact CG2-CG2 4.01Å; V515-Y521 WeakPolarHBondContact O-CA 3.42Å; V515-L522 HydrophobicContact CG2-CB 3.92Å; V515-L522 HydrophobicContact CG2-CD2 4.46Å; V515-L522 HydrophobicContact CG2-CG 4.43Å; V515-L522 WeakPolarHBondContact CG2-O 3.43Å; V515-L522 PolarHBondContact N-O 3.23Å; V515-L522 PolarHBondContact O-N 2.85Å
516	K	82.4	Confident	84.2	Confident	90 Å²	90	46.4 Å²	46.4	39%	0.391	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110.4	173.7	-166.3	173.2	-176.3	169.8	0	110.2	V486 E487 I489 Y521	V486-K516 WeakPolarHBondContact CG1-O 3.47Å; E487-K516 HydrophobicContact CB-CB 4.21Å; E487-K516 PolarHBondContact O-N 2.97Å; I489-K516 HydrophobicContact CD1-CB 4.08Å; I489-K516 HydrophobicContact CG1-CB 4.37Å; K516-Y521 HydrophobicContact CB-CD1 4.07Å; K516-Y521 HydrophobicContact CB-CE1 3.95Å; K516-Y521 HydrophobicContact CD-CE1 3.8Å; K516-Y521 HydrophobicContact CG-CD1 4.02Å; K516-Y521 HydrophobicContact CG-CE1 3.6Å
517	T	75.8	Confident	84.9	Confident	39 Å²	39	41.7 Å²	41.7	24%	0.239	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	170.4	175.8	77.8	0	0	0	0	110.7	V486 V515 G519 G520 L522	V486-T517 HydrophobicContact CG1-CG2 4Å; V515-T517 HydrophobicContact CG2-CG2 4.01Å; T517-G519 PolarHBondContact O-N 3.32Å; T517-G519 PolarHBondContact OG1-N 3.25Å; T517-G519 VanDerWaalsContact OG1-N 3.16Å; T517-G520 WeakPolarHBondContact CA-O 3.29Å; T517-G520 WeakPolarHBondContact CB-O 3.2Å; T517-G520 PolarHBondContact N-O 2.96Å; T517-G520 PolarHBondContact O-N 3.08Å; T517-G520 VanDerWaalsContact O-N 3.12Å; T517-G520 PolarHBondContact OG1-O 3.5Å; T517-L522 HydrophobicContact CG2-CB 3.89Å; T517-L522 HydrophobicContact CG2-CD2 4.3Å
518	V	60.1	Low	85.1	Confident	158 Å²	158	42.1 Å²	42.1	96%	0.958	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.3	171.4	-61.7	0	0	0	0	113.1
519	G	55.3	Low	84.9	Confident	47 Å²	47	41.7 Å²	41.7	49%	0.485	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	12	177.7	0	0	0	0	0	113.9	T517	T517-G519 PolarHBondContact O-N 3.32Å; T517-G519 PolarHBondContact OG1-N 3.25Å; T517-G519 VanDerWaalsContact OG1-N 3.16Å
520	G	68.2	Low	84.8	Confident	27 Å²	27	44.1 Å²	44.1	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	-159.7	-173.4	0	0	0	0	0	112.7	T517	T517-G520 WeakPolarHBondContact CA-O 3.29Å; T517-G520 WeakPolarHBondContact CB-O 3.2Å; T517-G520 PolarHBondContact N-O 2.96Å; T517-G520 PolarHBondContact O-N 3.08Å; T517-G520 VanDerWaalsContact O-N 3.12Å; T517-G520 PolarHBondContact OG1-O 3.5Å
521	Y	83.5	Confident	84.5	Confident	31 Å²	31	45.3 Å²	45.3	12%	0.122	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133	-173.6	-55.7	-78	0	0	0	112.1	I489 V515 K516 F539 C540 C597 D600	I489-Y521 HydrophobicContact CD1-CD1 3.15Å; I489-Y521 HydrophobicContact CD1-CE1 3.17Å; I489-Y521 HydrophobicContact CD1-CG 4.39Å; V515-Y521 WeakPolarHBondContact O-CA 3.42Å; K516-Y521 HydrophobicContact CB-CD1 4.07Å; K516-Y521 HydrophobicContact CB-CE1 3.95Å; K516-Y521 HydrophobicContact CD-CE1 3.8Å; K516-Y521 HydrophobicContact CG-CD1 4.02Å; K516-Y521 HydrophobicContact CG-CE1 3.6Å; Y521-F539 CarbonylContact O-C 3.56Å; Y521-F539 WeakPolarHBondContact O-CA 3.36Å; Y521-C540 PolarHBondContact O-N 2.99Å; Y521-C597 HydrophobicContact CD1-CB 4.32Å; Y521-C597 HydrophobicContact CD2-CB 3.81Å; Y521-C597 HydrophobicContact CE2-CB 4.45Å; Y521-C597 HydrophobicContact CG-CB 3.72Å; Y521-D600 HydrophobicContact CD2-CB 4.34Å; Y521-D600 HydrophobicContact CE2-CB 3.68Å; Y521-D600 WeakPolarHBondContact CE2-OD2 3.36Å; Y521-D600 PolarHBondContact OH-OD2 3.2Å
522	L	86.7	Confident	84	Confident	24 Å²	24	47.9 Å²	47.9	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.4	-179.7	177.4	65.2	0	0	0	109.8	V515 T517 E524 F539	V515-L522 HydrophobicContact CG2-CB 3.92Å; V515-L522 HydrophobicContact CG2-CD2 4.46Å; V515-L522 HydrophobicContact CG2-CG 4.43Å; V515-L522 WeakPolarHBondContact CG2-O 3.43Å; V515-L522 PolarHBondContact N-O 3.23Å; V515-L522 PolarHBondContact O-N 2.85Å; T517-L522 HydrophobicContact CG2-CB 3.89Å; T517-L522 HydrophobicContact CG2-CD2 4.3Å; L522-E524 HydrophobicContact CD2-CG 4.02Å; L522-E524 HydrophobicContact CG-CG 3.98Å; L522-F539 HydrophobicContact CB-CD1 3.99Å; L522-F539 HydrophobicContact CB-CE1 3.97Å; L522-F539 HydrophobicContact CD1-CD1 3.94Å; L522-F539 HydrophobicContact CD1-CD2 4.17Å; L522-F539 HydrophobicContact CD1-CE1 4.02Å; L522-F539 HydrophobicContact CD1-CE2 4.25Å; L522-F539 HydrophobicContact CD1-CG 4.02Å; L522-F539 HydrophobicContact CD1-CZ 4.18Å; L522-F539 HydrophobicContact CG-CE1 4.4Å
523	L	91.8	Very high	83.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.8	174.9	-170.4	68.5	0	0	0	109.7	M512 L514 F525 G537 I538 I543 L563 W590 I594	M512-L523 HydrophobicContact CE-CD1 4.16Å; M512-L523 HydrophobicContact CG-CD1 3.68Å; M512-L523 HydrophobicContact CG-CG 4.1Å; M512-L523 HydrophobicContact SD-CD1 4.03Å; M512-L523 HydrophobicContact SD-CD2 4.02Å; M512-L523 HydrophobicContact SD-CG 4.18Å; L514-L523 HydrophobicContact CB-CD1 4Å; L514-L523 HydrophobicContact CD1-CD1 4.3Å; L523-F525 HydrophobicContact CD2-CE2 4.01Å; L523-F525 HydrophobicContact CD2-CZ 3.94Å; L523-F525 HydrophobicContact CG-CE2 4.1Å; L523-F525 HydrophobicContact CG-CZ 4.36Å; L523-G537 CarbonylContact O-C 3.51Å; L523-G537 VanDerWaalsContact O-CA 3.31Å; L523-G537 WeakPolarHBondContact O-CA 3.36Å; L523-I538 WeakPolarHBondContact CB-O 3.19Å; L523-I538 PolarHBondContact N-O 3.33Å; L523-I538 PolarHBondContact O-N 3.38Å; L523-I543 HydrophobicContact CD2-CD1 4.31Å; L523-L563 HydrophobicContact CD2-CD1 3.55Å; L523-W590 HydrophobicContact CD1-CZ3 3.89Å; L523-I594 HydrophobicContact CD2-CD1 4.08Å
524	E	92.6	Very high	83.2	Confident	37 Å²	37	57.9 Å²	57.9	17%	0.173	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.2	-176.7	-64.7	-172.1	152.5	0	0	112.2	M512 V513 L522 Y526 P534 N536	M512-E524 CarbonylContact C-O 3.57Å; M512-E524 WeakPolarHBondContact CA-O 3.1Å; V513-E524 PolarHBondContact N-O 3.14Å; V513-E524 PolarHBondContact O-N 3.29Å; L522-E524 HydrophobicContact CD2-CG 4.02Å; L522-E524 HydrophobicContact CG-CG 3.98Å; E524-Y526 HydrophobicContact CB-CD2 4.39Å; E524-Y526 HydrophobicContact CB-CE2 3.7Å; E524-Y526 WeakPolarHBondContact OE2-CE2 3.29Å; E524-Y526 PolarHBondContact OE2-OH 3.47Å; E524-P534 HydrophobicContact CB-CB 3.95Å; E524-P534 HydrophobicContact CG-CB 4.32Å; E524-P534 HydrophobicContact CG-CG 4.44Å; E524-N536 WeakPolarHBondContact CA-O 3.44Å
525	F	91.7	Very high	82.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.2	178.5	-64.1	-98.5	0	0	0	110.3	F496 M512 L523 P534 K535 N536 I538 V579	F496-F525 AromaticContact CD1-CD1 3.76Å; F496-F525 HydrophobicContact CD1-CD1 3.76Å; F496-F525 HydrophobicContact CD1-CE1 4.49Å; F496-F525 HydrophobicContact CD2-CD1 4.34Å; F496-F525 HydrophobicContact CE1-CB 4.03Å; F496-F525 AromaticContact CE1-CD1 3.95Å; F496-F525 HydrophobicContact CE1-CD1 3.95Å; F496-F525 HydrophobicContact CE1-CG 4.49Å; F496-F525 AromaticContact CG-CD1 3.95Å; F496-F525 HydrophobicContact CG-CD1 3.95Å; F496-F525 HydrophobicContact CG-CE1 4.41Å; F496-F525 HydrophobicContact CZ-CB 3.96Å; F496-F525 HydrophobicContact CZ-CD1 4.35Å; M512-F525 HydrophobicContact CG-CD1 4.3Å; M512-F525 HydrophobicContact CG-CE1 4.13Å; M512-F525 HydrophobicContact CG-CZ 4.43Å; M512-F525 HydrophobicContact SD-CD1 4.09Å; M512-F525 HydrophobicContact SD-CE1 3.37Å; M512-F525 WeakPolarHBondContact SD-CE1 3.45Å; M512-F525 HydrophobicContact SD-CZ 3.63Å; L523-F525 HydrophobicContact CD2-CE2 4.01Å; L523-F525 HydrophobicContact CD2-CZ 3.94Å; L523-F525 HydrophobicContact CG-CE2 4.1Å; L523-F525 HydrophobicContact CG-CZ 4.36Å; F525-P534 CarbonylContact O-C 3.58Å; F525-P534 WeakPolarHBondContact O-CA 3.41Å; F525-K535 WeakPolarHBondContact O-CA 3.21Å; F525-K535 PolarHBondContact O-N 3.17Å; F525-N536 HydrophobicContact CB-CB 4.2Å; F525-N536 HydrophobicContact CD2-CB 4.17Å; F525-N536 PolarHBondContact N-O 2.96Å; F525-N536 PolarHBondContact O-N 3.23Å; F525-I538 HydrophobicContact CE2-CD1 3.77Å; F525-I538 HydrophobicContact CE2-CG1 4.3Å; F525-I538 HydrophobicContact CZ-CD1 4.47Å; F525-V579 HydrophobicContact CE1-CG2 4.24Å
526	Y	93.1	Very high	82.5	Confident	27 Å²	27	63.9 Å²	63.9	11%	0.106	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.5	178.6	-66	-104.7	0	0	0	109.9	G510 R511 V513 E524 P528 A531 K533 P534	G510-Y526 CarbonylContact C-O 3.46Å; G510-Y526 WeakPolarHBondContact CA-O 3.46Å; R511-Y526 PolarHBondContact N-O 2.84Å; R511-Y526 PolarHBondContact O-N 3.37Å; V513-Y526 HydrophobicContact CB-CE2 4.29Å; V513-Y526 HydrophobicContact CG2-CD2 3.9Å; V513-Y526 HydrophobicContact CG2-CE2 3.69Å; E524-Y526 HydrophobicContact CB-CD2 4.39Å; E524-Y526 HydrophobicContact CB-CE2 3.7Å; E524-Y526 WeakPolarHBondContact OE2-CE2 3.29Å; E524-Y526 PolarHBondContact OE2-OH 3.47Å; Y526-P528 CarbonylContact C-O 3.22Å; Y526-A531 HydrophobicContact CD1-CB 4.42Å; Y526-A531 WeakPolarHBondContact CD1-O 3.41Å; Y526-K533 WeakPolarHBondContact CD1-O 3.36Å; Y526-K533 VanDerWaalsContact CE1-C 3.45Å; Y526-P534 HydrophobicContact CD1-CB 4.33Å; Y526-P534 HydrophobicContact CD2-CB 4.22Å; Y526-P534 HydrophobicContact CE1-CB 4.01Å; Y526-P534 HydrophobicContact CE1-CG 4.4Å; Y526-P534 VanDerWaalsContact CE1-N 3.29Å; Y526-P534 HydrophobicContact CE2-CB 3.87Å; Y526-P534 HydrophobicContact CG-CB 4.42Å
527	A	87.9	Confident	82.6	Confident	25 Å²	25	61.8 Å²	61.8	21%	0.207	36%	0.364	C	S	.	.	S	Bend	trans	-132.9	118.9	173.9	0	0	0	0	0	109.9	F496 K535	F496-A527 HydrophobicContact CE1-CB 4.24Å; F496-A527 HydrophobicContact CZ-CB 3.72Å; A527-K535 HydrophobicContact CB-CD 4.08Å
528	P	86.9	Confident	83	Confident	88 Å²	88	60.3 Å²	60.3	57%	0.571	36%	0.355	S	S	*	.	S	Bend	cis	-68.9	169.2	-2.1	30.8	-36.4	0	0	0	112.6	Y526 K530 A531	Y526-P528 CarbonylContact C-O 3.22Å; P528-K530 PolarHBondContact O-N 2.97Å; P528-A531 WeakPolarHBondContact O-CB 3.18Å; P528-A531 PolarHBondContact O-N 2.98Å
529	P	84.4	Confident	84.2	Confident	49 Å²	49	55.1 Å²	55.1	32%	0.318	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.7	-173.5	-24.1	32.5	0	0	0	115.1	K509 R511	K509-P529 WeakPolarHBondContact O-CD 3.46Å; R511-P529 HydrophobicContact CB-CB 4.03Å; R511-P529 PolarHBondContact NE-O 3.35Å
530	K	86.1	Confident	85.5	Confident	205 Å²	205	53 Å²	53	89%	0.891	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	8.9	179.7	-62.2	-177.2	179.7	176.2	0	113.3	P528	P528-K530 PolarHBondContact O-N 2.97Å
531	A	84.8	Confident	85.9	Confident	25 Å²	25	55.4 Å²	55.4	21%	0.207	30%	0.3	C	S	.	.			trans	-60	140.7	175.7	0	0	0	0	0	110.3	Y526 P528 K533	Y526-A531 HydrophobicContact CD1-CB 4.42Å; Y526-A531 WeakPolarHBondContact CD1-O 3.41Å; P528-A531 WeakPolarHBondContact O-CB 3.18Å; P528-A531 PolarHBondContact O-N 2.98Å; A531-K533 VanDerWaalsContact C-N 3.29Å
532	S	83.9	Confident	85.5	Confident	119 Å²	119	54.8 Å²	54.8	83%	0.832	30%	0.299	S	S	*	.	S	Bend	trans	-77.9	-15.1	178.2	54.5	0	0	0	0	113.4
533	K	82.7	Confident	85.2	Confident	164 Å²	164	53.7 Å²	53.7	71%	0.713	29%	0.293	S	S	*	.	S	Bend	trans	-131.8	143	-179.1	-66.8	-179.5	178.5	-176.6	0	110	Y526 A531	Y526-K533 WeakPolarHBondContact CD1-O 3.36Å; Y526-K533 VanDerWaalsContact CE1-C 3.45Å; A531-K533 VanDerWaalsContact C-N 3.29Å
534	P	86.6	Confident	84.1	Confident	51 Å²	51	54.7 Å²	54.7	33%	0.331	30%	0.299	S	S	.	.			trans	-68.7	139.6	175.5	28.8	-33.1	0	0	0	110.3	E524 F525 Y526	E524-P534 HydrophobicContact CB-CB 3.95Å; E524-P534 HydrophobicContact CG-CB 4.32Å; E524-P534 HydrophobicContact CG-CG 4.44Å; F525-P534 CarbonylContact O-C 3.58Å; F525-P534 WeakPolarHBondContact O-CA 3.41Å; Y526-P534 HydrophobicContact CD1-CB 4.33Å; Y526-P534 HydrophobicContact CD2-CB 4.22Å; Y526-P534 HydrophobicContact CE1-CB 4.01Å; Y526-P534 HydrophobicContact CE1-CG 4.4Å; Y526-P534 VanDerWaalsContact CE1-N 3.29Å; Y526-P534 HydrophobicContact CE2-CB 3.87Å; Y526-P534 HydrophobicContact CG-CB 4.42Å
535	K	83.2	Confident	83.5	Confident	99 Å²	99	54.8 Å²	54.8	43%	0.43	30%	0.299	S	S	.	.	S	Bend	trans	-73.4	-42.5	173	-175.2	177.5	178	-173.6	0	111.1	E508 F525 A527	E508-K535 IonicContact OE1-NZ 3.13Å; E508-K535 PolarHBondContact OE1-NZ 3.32Å; E508-K535 IonicContact OE2-NZ 3.99Å; E508-K535 PolarHBondContact OE2-NZ 3.48Å; F525-K535 WeakPolarHBondContact O-CA 3.21Å; F525-K535 PolarHBondContact O-N 3.17Å; A527-K535 HydrophobicContact CB-CD 4.08Å
536	N	84.8	Confident	83.3	Confident	37 Å²	37	56.2 Å²	56.2	20%	0.198	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152	176.7	-67	-56.9	0	0	0	110.3	E524 F525	E524-N536 WeakPolarHBondContact CA-O 3.44Å; F525-N536 HydrophobicContact CB-CB 4.2Å; F525-N536 HydrophobicContact CD2-CB 4.17Å; F525-N536 PolarHBondContact N-O 2.96Å; F525-N536 PolarHBondContact O-N 3.23Å
537	G	84.8	Confident	82.9	Confident	45 Å²	45	58 Å²	58	46%	0.464	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.1	172.8	0	0	0	0	0	110.4	L523	L523-G537 CarbonylContact O-C 3.51Å; L523-G537 VanDerWaalsContact O-CA 3.31Å; L523-G537 WeakPolarHBondContact O-CA 3.36Å
538	I	84.1	Confident	83	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.5	-177.1	-50.8	172.3	0	0	0	108.1	L523 F525 C540 L542 I543 L563 A565 Y577	L523-I538 WeakPolarHBondContact CB-O 3.19Å; L523-I538 PolarHBondContact N-O 3.33Å; L523-I538 PolarHBondContact O-N 3.38Å; F525-I538 HydrophobicContact CE2-CD1 3.77Å; F525-I538 HydrophobicContact CE2-CG1 4.3Å; F525-I538 HydrophobicContact CZ-CD1 4.47Å; I538-C540 PolarHBondContact O-N 3.37Å; I538-L542 HydrophobicContact CG2-CB 4.43Å; I538-I543 HydrophobicContact CG2-CG1 3.99Å; I538-L563 HydrophobicContact CD1-CD2 3.69Å; I538-A565 HydrophobicContact CD1-CB 4.3Å; I538-A565 HydrophobicContact CG2-CB 3.47Å; I538-A565 VanDerWaalsContact CG2-CB 3.47Å; I538-Y577 HydrophobicContact CD1-CD2 3.75Å; I538-Y577 HydrophobicContact CD1-CE2 3.26Å; I538-Y577 HydrophobicContact CG1-CE2 4.38Å
539	F	85.1	Confident	82.8	Confident	50 Å²	50	56.9 Å²	56.9	22%	0.219	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.8	172.2	-74.5	-77.2	0	0	0	110.3	Y521 L522 F541 L542	Y521-F539 CarbonylContact O-C 3.56Å; Y521-F539 WeakPolarHBondContact O-CA 3.36Å; L522-F539 HydrophobicContact CB-CD1 3.99Å; L522-F539 HydrophobicContact CB-CE1 3.97Å; L522-F539 HydrophobicContact CD1-CD1 3.94Å; L522-F539 HydrophobicContact CD1-CD2 4.17Å; L522-F539 HydrophobicContact CD1-CE1 4.02Å; L522-F539 HydrophobicContact CD1-CE2 4.25Å; L522-F539 HydrophobicContact CD1-CG 4.02Å; L522-F539 HydrophobicContact CD1-CZ 4.18Å; L522-F539 HydrophobicContact CG-CE1 4.4Å; F539-F541 HydrophobicContact CB-CD1 3.56Å; F539-F541 HydrophobicContact CB-CE1 3.26Å; F539-F541 HydrophobicContact CB-CE2 4.43Å; F539-F541 HydrophobicContact CB-CG 4.27Å; F539-F541 HydrophobicContact CB-CZ 3.74Å; F539-F541 HydrophobicContact CD1-CD1 4.4Å; F539-F541 AromaticContact CD1-CE1 3.79Å; F539-F541 HydrophobicContact CD1-CE1 3.79Å; F539-F541 HydrophobicContact CD2-CE1 4.15Å; F539-F541 HydrophobicContact CD2-CZ 4.23Å; F539-F541 HydrophobicContact CG-CD1 4.19Å; F539-F541 AromaticContact CG-CE1 3.48Å; F539-F541 HydrophobicContact CG-CE1 3.48Å; F539-F541 VanDerWaalsContact CG-CE1 3.48Å; F539-F541 AromaticContact CG-CZ 3.97Å; F539-F541 HydrophobicContact CG-CZ 3.97Å; F539-F541 PolarHBondContact O-N 2.98Å; F539-F541 VanDerWaalsContact O-N 3.11Å; F539-L542 HydrophobicContact CB-CD1 4.16Å; F539-L542 HydrophobicContact CB-CG 4.23Å; F539-L542 WeakPolarHBondContact O-CB 3.46Å; F539-L542 PolarHBondContact O-N 2.77Å
540	C	83.2	Confident	82.7	Confident	1 Å²	1	58 Å²	58	1%	0.007	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.9	-30.6	-177.8	-63.2	0	0	0	0	111.7	L514 Y521 I538 L542 I543 C597 T598	L514-C540 WeakPolarHBondContact CD1-SG 3.48Å; Y521-C540 PolarHBondContact O-N 2.99Å; I538-C540 PolarHBondContact O-N 3.37Å; C540-L542 PolarHBondContact O-N 3.29Å; C540-I543 HydrophobicContact CB-CD1 4.27Å; C540-I543 WeakPolarHBondContact O-CB 3.22Å; C540-I543 PolarHBondContact O-N 2.95Å; C540-I543 VanDerWaalsContact O-N 3.09Å; C540-C597 HydrophobicContact CB-CB 4.19Å; C540-T598 HydrophobicContact CB-CG2 4.28Å; C540-T598 WeakPolarHBondContact O-CG2 3.39Å
541	F	75.3	Confident	82.2	Confident	78 Å²	78	52.2 Å²	52.2	34%	0.342	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-68.9	-13.3	177.3	71.6	-101.6	0	0	0	114.4	F539 R754 I758	F539-F541 HydrophobicContact CB-CD1 3.56Å; F539-F541 HydrophobicContact CB-CE1 3.26Å; F539-F541 HydrophobicContact CB-CE2 4.43Å; F539-F541 HydrophobicContact CB-CG 4.27Å; F539-F541 HydrophobicContact CB-CZ 3.74Å; F539-F541 HydrophobicContact CD1-CD1 4.4Å; F539-F541 AromaticContact CD1-CE1 3.79Å; F539-F541 HydrophobicContact CD1-CE1 3.79Å; F539-F541 HydrophobicContact CD2-CE1 4.15Å; F539-F541 HydrophobicContact CD2-CZ 4.23Å; F539-F541 HydrophobicContact CG-CD1 4.19Å; F539-F541 AromaticContact CG-CE1 3.48Å; F539-F541 HydrophobicContact CG-CE1 3.48Å; F539-F541 VanDerWaalsContact CG-CE1 3.48Å; F539-F541 AromaticContact CG-CZ 3.97Å; F539-F541 HydrophobicContact CG-CZ 3.97Å; F539-F541 PolarHBondContact O-N 2.98Å; F539-F541 VanDerWaalsContact O-N 3.11Å; F541-R754 VanDerWaalsContact CA-NH2 3.26Å; F541-R754 PolarHBondContact O-NE 3.46Å; F541-R754 PolarHBondContact O-NH2 3.11Å; F541-I758 HydrophobicContact CD2-CD1 3.82Å; F541-I758 HydrophobicContact CE2-CD1 3.81Å
542	L	76.9	Confident	81.8	Confident	19 Å²	19	58.6 Å²	58.6	10%	0.099	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-90.8	-13.3	174.1	-63.4	174.2	0	0	0	112.7	I538 F539 C540 T544 A565 M566 I758	I538-L542 HydrophobicContact CG2-CB 4.43Å; F539-L542 HydrophobicContact CB-CD1 4.16Å; F539-L542 HydrophobicContact CB-CG 4.23Å; F539-L542 WeakPolarHBondContact O-CB 3.46Å; F539-L542 PolarHBondContact O-N 2.77Å; C540-L542 PolarHBondContact O-N 3.29Å; L542-T544 PolarHBondContact O-N 2.88Å; L542-A565 CarbonylContact O-C 3.55Å; L542-A565 WeakPolarHBondContact O-CA 3.37Å; L542-M566 PolarHBondContact O-N 3.48Å; L542-I758 HydrophobicContact CD2-CD1 3.33Å
543	I	79.3	Confident	81.5	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.7	-179.3	-58.5	171.8	0	0	0	107.5	L523 I538 C540 V546 L563 K564 A565 I594 T598 R754	L523-I543 HydrophobicContact CD2-CD1 4.31Å; I538-I543 HydrophobicContact CG2-CG1 3.99Å; C540-I543 HydrophobicContact CB-CD1 4.27Å; C540-I543 WeakPolarHBondContact O-CB 3.22Å; C540-I543 PolarHBondContact O-N 2.95Å; C540-I543 VanDerWaalsContact O-N 3.09Å; I543-V546 HydrophobicContact CG2-CG2 3.26Å; I543-L563 HydrophobicContact CD1-CD1 3.84Å; I543-L563 HydrophobicContact CD1-CG 4.47Å; I543-L563 HydrophobicContact CG1-CD1 4.39Å; I543-L563 HydrophobicContact CG2-CD1 4.36Å; I543-L563 HydrophobicContact CG2-CG 4.06Å; I543-K564 CarbonylContact C-O 3.45Å; I543-A565 HydrophobicContact CG1-CB 4.42Å; I543-I594 HydrophobicContact CD1-CG2 3.6Å; I543-T598 HydrophobicContact CB-CG2 4.03Å; I543-T598 HydrophobicContact CD1-CG2 4.31Å; I543-T598 HydrophobicContact CG2-CG2 4.4Å; I543-R754 PolarHBondContact O-NH1 3.43Å
544	T	68.9	Low	81.2	Confident	20 Å²	20	50 Å²	50	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-53.6	178.8	55.2	0	0	0	0	109	L542 K564 M566 L574 Y751	L542-T544 PolarHBondContact O-N 2.88Å; T544-K564 PolarHBondContact N-O 3.03Å; T544-K564 PolarHBondContact OG1-O 3.13Å; T544-M566 HydrophobicContact CG2-CB 4.29Å; T544-L574 HydrophobicContact CG2-CD2 4.4Å; T544-Y751 WeakPolarHBondContact O-CD1 3.34Å; T544-Y751 WeakPolarHBondContact O-CE1 3.46Å
545	E	79.7	Confident	80.5	Confident	39 Å²	39	51.9 Å²	51.9	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.9	-172.4	-173.8	-174.3	167.2	0	0	110.6	R547 L563 K564 Y751	E545-R547 HydrophobicContact CG-CG 4.37Å; E545-R547 WeakPolarHBondContact OE1-CD 3.27Å; E545-R547 IonicContact OE1-CZ 3.22Å; E545-R547 IonicContact OE1-NE 2.7Å; E545-R547 PolarHBondContact OE1-NE 3.48Å; E545-R547 IonicContact OE1-NH2 3.49Å; E545-L563 WeakPolarHBondContact O-CA 3.48Å; E545-K564 HydrophobicContact CB-CB 4.07Å; E545-K564 HydrophobicContact CB-CG 4.37Å; E545-K564 PolarHBondContact N-O 3.11Å; E545-K564 VanDerWaalsContact N-O 3.15Å; E545-K564 PolarHBondContact O-N 3.21Å; E545-K564 IonicContact OE1-NZ 3.43Å; E545-K564 VanDerWaalsContact OE2-CD 3.24Å; E545-K564 WeakPolarHBondContact OE2-CD 3.33Å; E545-K564 VanDerWaalsContact OE2-CE 3.32Å; E545-K564 WeakPolarHBondContact OE2-CE 3.45Å; E545-K564 IonicContact OE2-NZ 3.91Å; E545-K564 PolarHBondContact OE2-NZ 3Å; E545-Y751 HydrophobicContact CB-CE1 4.36Å
546	V	88.1	Confident	80.2	Confident	30 Å²	30	54.6 Å²	54.6	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	115.9	170.8	-169.3	0	0	0	0	108.1	I543 V562 L591 I594	I543-V546 HydrophobicContact CG2-CG2 3.26Å; V546-V562 WeakPolarHBondContact CA-O 3.45Å; V546-L591 HydrophobicContact CG1-CD2 3.5Å; V546-I594 HydrophobicContact CG1-CG2 4.4Å; V546-I594 HydrophobicContact CG2-CG2 3.79Å
547	R	85.2	Confident	79.9	Confident	65 Å²	65	54 Å²	54	25%	0.245	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156	-179.8	64.3	168.2	176.6	88.8	0.1	113	E545 E553 F561 V562	E545-R547 HydrophobicContact CG-CG 4.37Å; E545-R547 WeakPolarHBondContact OE1-CD 3.27Å; E545-R547 IonicContact OE1-CZ 3.22Å; E545-R547 IonicContact OE1-NE 2.7Å; E545-R547 PolarHBondContact OE1-NE 3.48Å; E545-R547 IonicContact OE1-NH2 3.49Å; R547-E553 IonicContact CZ-OE1 3.36Å; R547-E553 IonicContact CZ-OE2 3.49Å; R547-E553 IonicContact NH1-OE1 3.03Å; R547-E553 PolarHBondContact NH1-OE1 3.19Å; R547-E553 IonicContact NH1-OE2 3.56Å; R547-E553 PolarHBondContact NH1-OE2 3.24Å; R547-E553 IonicContact NH2-OE1 2.66Å; R547-E553 PolarHBondContact NH2-OE1 2.95Å; R547-E553 IonicContact NH2-OE2 3.24Å; R547-E553 PolarHBondContact NH2-OE2 3.33Å; R547-F561 CarbonylContact O-C 3.54Å; R547-F561 WeakPolarHBondContact O-CA 3.26Å; R547-F561 WeakPolarHBondContact O-CB 3.41Å; R547-V562 HydrophobicContact CG-CB 4.3Å; R547-V562 PolarHBondContact N-O 3.45Å; R547-V562 VanDerWaalsContact N-O 3.12Å; R547-V562 PolarHBondContact O-N 3.37Å
548	E	89.1	Confident	79.8	Confident	71 Å²	71	58 Å²	58	33%	0.332	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	140	165.9	-165.3	168.7	173.6	0	0	109.7	R584 M587 L591	E548-R584 IonicContact OE1-CZ 2.64Å; E548-R584 IonicContact OE1-NE 3.34Å; E548-R584 PolarHBondContact OE1-NE 3.41Å; E548-R584 IonicContact OE1-NH2 2.74Å; E548-R584 PolarHBondContact OE1-NH2 3.02Å; E548-R584 IonicContact OE2-NH2 2.81Å; E548-R584 PolarHBondContact OE2-NH2 2.87Å; E548-M587 HydrophobicContact CG-CE 3.85Å; E548-M587 HydrophobicContact CG-SD 3.94Å; E548-M587 WeakPolarHBondContact OE1-CE 3.41Å; E548-L591 HydrophobicContact CB-CD1 4.39Å
549	T	83.4	Confident	80.1	Confident	18 Å²	18	59.7 Å²	59.7	11%	0.11	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-69.9	151.8	174.5	45.8	0	0	0	0	109.9	E553 T554 T560 V562 I578	T549-E553 WeakPolarHBondContact CA-OE2 3.36Å; T549-T554 HydrophobicContact CG2-CG2 4.23Å; T549-T554 PolarHBondContact OG1-OG1 3.01Å; T549-T560 PolarHBondContact N-O 3Å; T549-T560 VanDerWaalsContact N-O 3.11Å; T549-T560 VanDerWaalsContact OG1-C 3.29Å; T549-T560 WeakPolarHBondContact OG1-CB 3.25Å; T549-T560 PolarHBondContact OG1-O 3.07Å; T549-T560 PolarHBondContact OG1-OG1 2.85Å; T549-V562 HydrophobicContact CG2-CG2 3.46Å; T549-V562 VanDerWaalsContact CG2-CG2 3.46Å; T549-I578 HydrophobicContact CG2-CG2 4.31Å
550	T	82.4	Confident	80.4	Confident	73 Å²	73	57.5 Å²	57.5	45%	0.448	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-86.3	155.9	169.1	65.1	0	0	0	0	110.2	L552 E553 T554	T550-L552 PolarHBondContact O-N 3.09Å; T550-E553 PolarHBondContact N-OE2 2.89Å; T550-E553 PolarHBondContact O-N 2.71Å; T550-T554 PolarHBondContact O-N 3.45Å
551	A	75.9	Confident	80.9	Confident	83 Å²	83	57.4 Å²	57.4	69%	0.686	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.1	177.3	0	0	0	0	0	113.5	P555	A551-P555 VanDerWaalsContact O-CA 3.22Å; A551-P555 WeakPolarHBondContact O-CA 3.45Å; A551-P555 WeakPolarHBondContact O-CB 3.47Å
552	L	75.1	Confident	81.6	Confident	160 Å²	160	53.8 Å²	53.8	84%	0.838	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-30.2	176	-172.2	64.9	0	0	0	112.7	T550	T550-L552 PolarHBondContact O-N 3.09Å
553	E	77	Confident	82.2	Confident	84 Å²	84	52.9 Å²	52.9	39%	0.393	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-39.3	-176.7	-66.6	169.6	156.2	0	0	112.1	R547 T549 T550	R547-E553 IonicContact CZ-OE1 3.36Å; R547-E553 IonicContact CZ-OE2 3.49Å; R547-E553 IonicContact NH1-OE1 3.03Å; R547-E553 PolarHBondContact NH1-OE1 3.19Å; R547-E553 IonicContact NH1-OE2 3.56Å; R547-E553 PolarHBondContact NH1-OE2 3.24Å; R547-E553 IonicContact NH2-OE1 2.66Å; R547-E553 PolarHBondContact NH2-OE1 2.95Å; R547-E553 IonicContact NH2-OE2 3.24Å; R547-E553 PolarHBondContact NH2-OE2 3.33Å; T549-E553 WeakPolarHBondContact CA-OE2 3.36Å; T550-E553 PolarHBondContact N-OE2 2.89Å; T550-E553 PolarHBondContact O-N 2.71Å
554	T	76.8	Confident	82.5	Confident	18 Å²	18	55 Å²	55	11%	0.11	30%	0.304	C	S	.	.			trans	-134.1	76.4	177.6	59.1	0	0	0	0	110.1	T549 T550 D556 C557 T560 I578	T549-T554 HydrophobicContact CG2-CG2 4.23Å; T549-T554 PolarHBondContact OG1-OG1 3.01Å; T550-T554 PolarHBondContact O-N 3.45Å; T554-D556 VanDerWaalsContact C-N 3.29Å; T554-D556 PolarHBondContact O-N 3.32Å; T554-C557 PolarHBondContact O-N 3.38Å; T554-C557 PolarHBondContact OG1-O 3.28Å; T554-T560 PolarHBondContact OG1-OG1 3.34Å; T554-I578 HydrophobicContact CG2-CG2 4.04Å
555	P	73.2	Confident	82.8	Confident	91 Å²	91	54 Å²	54	59%	0.591	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.6	-176.3	24.9	-33.8	0	0	0	113.1	A551	A551-P555 VanDerWaalsContact O-CA 3.22Å; A551-P555 WeakPolarHBondContact O-CA 3.45Å; A551-P555 WeakPolarHBondContact O-CB 3.47Å
556	D	76.7	Confident	82.2	Confident	156 Å²	156	53 Å²	53	83%	0.834	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-2.9	-174.7	-60.2	-47.8	0	0	0	114	T554	T554-D556 VanDerWaalsContact C-N 3.29Å; T554-D556 PolarHBondContact O-N 3.32Å
557	C	78.4	Confident	80.9	Confident	25 Å²	25	52.6 Å²	52.6	17%	0.169	29%	0.292	C	S	.	.			trans	-129.4	106.8	-173.3	-68.9	0	0	0	0	111.2	W507 T554 T560	W507-C557 HydrophobicContact CZ2-CB 4.08Å; T554-C557 PolarHBondContact O-N 3.38Å; T554-C557 PolarHBondContact OG1-O 3.28Å; C557-T560 HydrophobicContact CB-CG2 3.83Å; C557-T560 PolarHBondContact O-OG1 3.44Å
558	D	82.6	Confident	79.3	Confident	129 Å²	129	51.7 Å²	51.7	69%	0.69	30%	0.298	S	S	*	.	S	Bend	trans	-74	158.9	171	-71	-35.1	0	0	0	112.4	T560	D558-T560 VanDerWaalsContact C-N 3.34Å; D558-T560 PolarHBondContact O-N 3.26Å
559	N	90.5	Very high	77.3	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.23	32%	0.315	C	S	.	.	S	Bend	trans	60.1	40	174.5	-46.9	-60.9	0	0	0	113.8	A581 R584 M587	N559-A581 PolarHBondContact O-N 3.49Å; N559-R584 WeakPolarHBondContact OD1-CA 3.4Å; N559-R584 VanDerWaalsContact OD1-CB 3.24Å; N559-R584 WeakPolarHBondContact OD1-CB 3.19Å; N559-R584 PolarHBondContact OD1-N 3.22Å; N559-R584 VanDerWaalsContact OD1-N 3.15Å; N559-M587 VanDerWaalsContact CA-SD 3.55Å; N559-M587 HydrophobicContact CB-SD 4.26Å
560	T	91.3	Very high	75.4	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.9	179.2	40.3	0	0	0	0	111.7	W507 T549 T554 C557 D558 V579 Q580	W507-T560 HydrophobicContact CH2-CG2 3.81Å; T549-T560 PolarHBondContact N-O 3Å; T549-T560 VanDerWaalsContact N-O 3.11Å; T549-T560 VanDerWaalsContact OG1-C 3.29Å; T549-T560 WeakPolarHBondContact OG1-CB 3.25Å; T549-T560 PolarHBondContact OG1-O 3.07Å; T549-T560 PolarHBondContact OG1-OG1 2.85Å; T554-T560 PolarHBondContact OG1-OG1 3.34Å; C557-T560 HydrophobicContact CB-CG2 3.83Å; C557-T560 PolarHBondContact O-OG1 3.44Å; D558-T560 VanDerWaalsContact C-N 3.34Å; D558-T560 PolarHBondContact O-N 3.26Å; T560-V579 CarbonylContact C-O 3.56Å; T560-V579 WeakPolarHBondContact CA-O 3.27Å; T560-Q580 HydrophobicContact CG2-CB 3.72Å; T560-Q580 HydrophobicContact CG2-CG 3.94Å
561	F	93.4	Very high	73.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.9	175.3	64.6	-86.7	0	0	0	110.7	M512 R547 V579 M587 W590 L591 I594	M512-F561 HydrophobicContact CE-CZ 3.94Å; R547-F561 CarbonylContact O-C 3.54Å; R547-F561 WeakPolarHBondContact O-CA 3.26Å; R547-F561 WeakPolarHBondContact O-CB 3.41Å; F561-V579 HydrophobicContact CD1-CB 4.17Å; F561-V579 HydrophobicContact CD1-CG1 4.49Å; F561-V579 WeakPolarHBondContact CD1-O 3.37Å; F561-V579 HydrophobicContact CD2-CB 4.25Å; F561-V579 HydrophobicContact CE1-CB 3.72Å; F561-V579 HydrophobicContact CE1-CG1 3.63Å; F561-V579 HydrophobicContact CE2-CB 3.79Å; F561-V579 HydrophobicContact CE2-CG1 4.21Å; F561-V579 HydrophobicContact CE2-CG2 4.1Å; F561-V579 HydrophobicContact CG-CB 4.43Å; F561-V579 HydrophobicContact CZ-CB 3.51Å; F561-V579 HydrophobicContact CZ-CG1 3.46Å; F561-V579 VanDerWaalsContact CZ-CG1 3.46Å; F561-V579 HydrophobicContact CZ-CG2 4.18Å; F561-V579 PolarHBondContact N-O 2.61Å; F561-V579 PolarHBondContact O-N 3.29Å; F561-M587 HydrophobicContact CD1-CG 3.9Å; F561-W590 HydrophobicContact CE1-CB 4.2Å; F561-W590 HydrophobicContact CZ-CB 3.98Å; F561-W590 HydrophobicContact CZ-CG 4.28Å; F561-L591 HydrophobicContact CB-CD2 3.95Å; F561-L591 HydrophobicContact CD2-CD2 4.15Å; F561-L591 HydrophobicContact CG-CD2 4.15Å; F561-I594 HydrophobicContact CE2-CD1 4.31Å
562	V	90.4	Very high	72.2	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137	178.5	-175.5	0	0	0	0	109.4	V546 R547 T549 K564 E576 Y577	V546-V562 WeakPolarHBondContact CA-O 3.45Å; R547-V562 HydrophobicContact CG-CB 4.3Å; R547-V562 PolarHBondContact N-O 3.45Å; R547-V562 VanDerWaalsContact N-O 3.12Å; R547-V562 PolarHBondContact O-N 3.37Å; T549-V562 HydrophobicContact CG2-CG2 3.46Å; T549-V562 VanDerWaalsContact CG2-CG2 3.46Å; V562-K564 HydrophobicContact CG1-CG 4.01Å; V562-E576 HydrophobicContact CG1-CG 4.19Å; V562-Y577 CarbonylContact C-O 3.5Å; V562-Y577 WeakPolarHBondContact CA-O 3.35Å
563	L	89.5	Confident	71.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	115.5	170.8	-179.5	145.4	0	0	0	108.5	L523 I538 I543 E545 A565 E576 Y577 I594	L523-L563 HydrophobicContact CD2-CD1 3.55Å; I538-L563 HydrophobicContact CD1-CD2 3.69Å; I543-L563 HydrophobicContact CD1-CD1 3.84Å; I543-L563 HydrophobicContact CD1-CG 4.47Å; I543-L563 HydrophobicContact CG1-CD1 4.39Å; I543-L563 HydrophobicContact CG2-CD1 4.36Å; I543-L563 HydrophobicContact CG2-CG 4.06Å; E545-L563 WeakPolarHBondContact O-CA 3.48Å; L563-A565 HydrophobicContact CD2-CB 4.29Å; L563-E576 CarbonylContact O-C 3.52Å; L563-Y577 HydrophobicContact CD2-CD2 3.79Å; L563-Y577 HydrophobicContact CD2-CG 4.45Å; L563-Y577 PolarHBondContact N-O 3.16Å; L563-Y577 PolarHBondContact O-N 3.45Å; L563-I594 HydrophobicContact CD1-CD1 4.22Å
564	K	84.3	Confident	70.6	Confident	44 Å²	44	59 Å²	59	19%	0.191	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.8	170.7	-56.8	-172.2	-171.3	145.3	0	108.8	I543 T544 E545 V562 E576	I543-K564 CarbonylContact C-O 3.45Å; T544-K564 PolarHBondContact N-O 3.03Å; T544-K564 PolarHBondContact OG1-O 3.13Å; E545-K564 HydrophobicContact CB-CB 4.07Å; E545-K564 HydrophobicContact CB-CG 4.37Å; E545-K564 PolarHBondContact N-O 3.11Å; E545-K564 VanDerWaalsContact N-O 3.15Å; E545-K564 PolarHBondContact O-N 3.21Å; E545-K564 IonicContact OE1-NZ 3.43Å; E545-K564 VanDerWaalsContact OE2-CD 3.24Å; E545-K564 WeakPolarHBondContact OE2-CD 3.33Å; E545-K564 VanDerWaalsContact OE2-CE 3.32Å; E545-K564 WeakPolarHBondContact OE2-CE 3.45Å; E545-K564 IonicContact OE2-NZ 3.91Å; E545-K564 PolarHBondContact OE2-NZ 3Å; V562-K564 HydrophobicContact CG1-CG 4.01Å; K564-E576 WeakPolarHBondContact CE-OE1 3.25Å; K564-E576 HydrophobicContact CG-CB 4.36Å; K564-E576 HydrophobicContact CG-CG 4.12Å
565	A	76.5	Confident	70.5	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.008	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147	177.6	0	0	0	0	0	110.7	I538 L542 I543 L563 S567 K575	I538-A565 HydrophobicContact CD1-CB 4.3Å; I538-A565 HydrophobicContact CG2-CB 3.47Å; I538-A565 VanDerWaalsContact CG2-CB 3.47Å; L542-A565 CarbonylContact O-C 3.55Å; L542-A565 WeakPolarHBondContact O-CA 3.37Å; I543-A565 HydrophobicContact CG1-CB 4.42Å; L563-A565 HydrophobicContact CD2-CB 4.29Å; A565-S567 PolarHBondContact O-N 3.33Å; A565-K575 PolarHBondContact N-O 2.63Å; A565-K575 PolarHBondContact O-N 3.15Å
566	M	66.3	Low	71	Confident	18 Å²	18	60.9 Å²	60.9	9%	0.089	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.6	175.9	-140.9	172.4	80.5	0	0	109.4	L542 T544 L574 W755 I758 S759	L542-M566 PolarHBondContact O-N 3.48Å; T544-M566 HydrophobicContact CG2-CB 4.29Å; M566-L574 HydrophobicContact CG-CD2 4.31Å; M566-W755 HydrophobicContact SD-CD2 4.17Å; M566-W755 HydrophobicContact SD-CG 4.21Å; M566-I758 HydrophobicContact CE-CB 3.68Å; M566-I758 HydrophobicContact CE-CG2 3.75Å; M566-S759 WeakPolarHBondContact CE-OG 3.46Å
567	S	60.2	Low	71.5	Confident	21 Å²	21	53.4 Å²	53.4	15%	0.147	28%	0.281	C	S	.	.			trans	-77.2	125.8	171.8	-174.8	0	0	0	0	108.8	A565 F569 N573	A565-S567 PolarHBondContact O-N 3.33Å; S567-F569 PolarHBondContact O-N 2.83Å; S567-F569 VanDerWaalsContact O-N 3.16Å; S567-N573 WeakPolarHBondContact CB-O 3.25Å
568	A	51.4	Low	72.1	Confident	45 Å²	45	53.2 Å²	53.2	37%	0.372	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.7	177.1	0	0	0	0	0	113.5
569	F	47.7	Very low	72.6	Confident	155 Å²	155	47.1 Å²	47.1	68%	0.68	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-16.7	-170.4	-130.6	-88.9	0	0	0	114.3	S567	S567-F569 PolarHBondContact O-N 2.83Å; S567-F569 VanDerWaalsContact O-N 3.16Å
570	L	43.7	Very low	72.7	Confident	81 Å²	81	47.1 Å²	47.1	42%	0.424	24%	0.244	S	C	.	.			trans	-145.9	110.4	-176.8	-68.3	169.9	0	0	0	108.2	E572 N573	L570-E572 PolarHBondContact O-N 3.16Å; L570-E572 VanDerWaalsContact O-N 3.11Å; L570-N573 HydrophobicContact CB-CB 3.92Å; L570-N573 HydrophobicContact CD1-CB 4.07Å; L570-N573 PolarHBondContact O-N 2.69Å
571	A	43.5	Very low	72.8	Confident	57 Å²	57	47.2 Å²	47.2	47%	0.471	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.7	176.5	0	0	0	0	0	111.6	W755	A571-W755 WeakPolarHBondContact O-CH2 3.37Å; A571-W755 WeakPolarHBondContact O-CZ3 3.37Å
572	E	47.6	Very low	72.6	Confident	182 Å²	182	53.8 Å²	53.8	85%	0.85	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.3	-174	-57.8	-176.3	-173.5	0	0	114.5	L570	L570-E572 PolarHBondContact O-N 3.16Å; L570-E572 VanDerWaalsContact O-N 3.11Å
573	N	56.1	Low	72.6	Confident	94 Å²	94	55.6 Å²	55.6	50%	0.503	29%	0.286	S	S	.	.			trans	-120	104.4	-177.9	-71.9	-87.6	0	0	0	111.2	S567 L570	S567-N573 WeakPolarHBondContact CB-O 3.25Å; L570-N573 HydrophobicContact CB-CB 3.92Å; L570-N573 HydrophobicContact CD1-CB 4.07Å; L570-N573 PolarHBondContact O-N 2.69Å
574	L	61.8	Low	72.6	Confident	74 Å²	74	62.3 Å²	62.3	39%	0.387	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.4	169.6	-63.3	171.3	0	0	0	109.6	T544 M566 E576 W755	T544-L574 HydrophobicContact CG2-CD2 4.4Å; M566-L574 HydrophobicContact CG-CD2 4.31Å; L574-E576 PolarHBondContact O-N 3.48Å; L574-W755 HydrophobicContact CD2-CZ2 4.04Å
575	K	74.5	Confident	72.9	Confident	90 Å²	90	68.9 Å²	68.9	39%	0.391	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	109.4	166	-82.4	-170.5	178	-177.1	0	108.4	A565 Y577	A565-K575 PolarHBondContact N-O 2.63Å; A565-K575 PolarHBondContact O-N 3.15Å; K575-Y577 HydrophobicContact CB-CE2 3.97Å
576	E	84	Confident	73.6	Confident	58 Å²	58	70.1 Å²	70.1	27%	0.271	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.8	176.3	-177.7	163.7	-146.3	0	0	111.4	G499 L502 V562 L563 K564 L574	G499-E576 PolarHBondContact N-O 3.48Å; L502-E576 HydrophobicContact CD1-CG 4.46Å; V562-E576 HydrophobicContact CG1-CG 4.19Å; L563-E576 CarbonylContact O-C 3.52Å; K564-E576 WeakPolarHBondContact CE-OE1 3.25Å; K564-E576 HydrophobicContact CG-CB 4.36Å; K564-E576 HydrophobicContact CG-CG 4.12Å; L574-E576 PolarHBondContact O-N 3.48Å
577	Y	88.3	Confident	74.8	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.8	174.6	-66.4	-91.9	0	0	0	109.7	I497 C498 I538 V562 L563 K575	I497-Y577 VanDerWaalsContact O-CA 3.3Å; I497-Y577 WeakPolarHBondContact O-CA 3.12Å; C498-Y577 HydrophobicContact CB-CD1 4.15Å; C498-Y577 HydrophobicContact CB-CE1 3.81Å; C498-Y577 VanDerWaalsContact SG-CE1 3.55Å; I538-Y577 HydrophobicContact CD1-CD2 3.75Å; I538-Y577 HydrophobicContact CD1-CE2 3.26Å; I538-Y577 HydrophobicContact CG1-CE2 4.38Å; V562-Y577 CarbonylContact C-O 3.5Å; V562-Y577 WeakPolarHBondContact CA-O 3.35Å; L563-Y577 HydrophobicContact CD2-CD2 3.79Å; L563-Y577 HydrophobicContact CD2-CG 4.45Å; L563-Y577 PolarHBondContact N-O 3.16Å; L563-Y577 PolarHBondContact O-N 3.45Å; K575-Y577 HydrophobicContact CB-CE2 3.97Å
578	I	90.2	Very high	76.2	Confident	21 Å²	21	76.7 Å²	76.7	11%	0.108	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.3	164.9	-57.7	-178.1	0	0	0	106.9	F496 I497 L502 W507 T549 T554	F496-I578 CarbonylContact C-O 3.5Å; F496-I578 VanDerWaalsContact CA-O 3.24Å; F496-I578 WeakPolarHBondContact CA-O 3.36Å; I497-I578 PolarHBondContact N-O 2.97Å; I497-I578 PolarHBondContact O-N 2.85Å; I497-I578 VanDerWaalsContact O-N 3.12Å; L502-I578 HydrophobicContact CD2-CD1 3.4Å; L502-I578 HydrophobicContact CD2-CG1 3.96Å; W507-I578 HydrophobicContact CH2-CG2 3.93Å; T549-I578 HydrophobicContact CG2-CG2 4.31Å; T554-I578 HydrophobicContact CG2-CG2 4.04Å
579	V	93.1	Very high	78.2	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.6	-173.2	-173.9	0	0	0	0	109.9	V494 N495 F496 F525 T560 F561	V494-V579 HydrophobicContact CB-CG1 3.64Å; V494-V579 HydrophobicContact CG1-CG1 4.03Å; V494-V579 HydrophobicContact CG2-CG1 3.76Å; N495-V579 CarbonylContact O-C 3.57Å; N495-V579 WeakPolarHBondContact O-CA 3.35Å; F496-V579 HydrophobicContact CB-CG2 4.14Å; F525-V579 HydrophobicContact CE1-CG2 4.24Å; T560-V579 CarbonylContact C-O 3.56Å; T560-V579 WeakPolarHBondContact CA-O 3.27Å; F561-V579 HydrophobicContact CD1-CB 4.17Å; F561-V579 HydrophobicContact CD1-CG1 4.49Å; F561-V579 WeakPolarHBondContact CD1-O 3.37Å; F561-V579 HydrophobicContact CD2-CB 4.25Å; F561-V579 HydrophobicContact CE1-CB 3.72Å; F561-V579 HydrophobicContact CE1-CG1 3.63Å; F561-V579 HydrophobicContact CE2-CB 3.79Å; F561-V579 HydrophobicContact CE2-CG1 4.21Å; F561-V579 HydrophobicContact CE2-CG2 4.1Å; F561-V579 HydrophobicContact CG-CB 4.43Å; F561-V579 HydrophobicContact CZ-CB 3.51Å; F561-V579 HydrophobicContact CZ-CG1 3.46Å; F561-V579 VanDerWaalsContact CZ-CG1 3.46Å; F561-V579 HydrophobicContact CZ-CG2 4.18Å; F561-V579 PolarHBondContact N-O 2.61Å; F561-V579 PolarHBondContact O-N 3.29Å
580	Q	92.1	Very high	80.3	Confident	43 Å²	43	71.2 Å²	71.2	20%	0.201	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.7	174.7	-175.3	180	52.3	0	0	110.2	V494 N495 W507 T560	V494-Q580 WeakPolarHBondContact CA-O 3.37Å; V494-Q580 WeakPolarHBondContact CB-O 3.48Å; N495-Q580 HydrophobicContact CB-CB 4.24Å; N495-Q580 PolarHBondContact N-O 3.48Å; N495-Q580 PolarHBondContact ND2-OE1 2.96Å; N495-Q580 PolarHBondContact O-N 3.05Å; W507-Q580 HydrophobicContact CE3-CB 4.28Å; W507-Q580 HydrophobicContact CH2-CB 3.94Å; W507-Q580 HydrophobicContact CZ3-CB 3.54Å; T560-Q580 HydrophobicContact CG2-CB 3.72Å; T560-Q580 HydrophobicContact CG2-CG 3.94Å
581	A	93.4	Very high	82.5	Confident	5 Å²	5	68.7 Å²	68.7	4%	0.041	32%	0.317	C	S	.	.			trans	-86.5	161.1	171.9	0	0	0	0	0	111.2	N559 S583 E586 M587	N559-A581 PolarHBondContact O-N 3.49Å; A581-S583 VanDerWaalsContact C-N 3.27Å; A581-S583 PolarHBondContact O-N 2.93Å; A581-E586 HydrophobicContact CB-CB 4.3Å; A581-E586 HydrophobicContact CB-CG 4.42Å; A581-M587 HydrophobicContact CB-CB 3.77Å
582	K	89.1	Confident	84.6	Confident	138 Å²	138	69.8 Å²	69.8	60%	0.6	32%	0.322	S	S	*	.	S	Bend	trans	-73	-22.6	-179.6	-56.6	170.8	-178.5	160.3	0	113.1	S493 E586	S493-K582 VanDerWaalsContact CB-CE 3.41Å; S493-K582 VanDerWaalsContact CB-NZ 3.35Å; S493-K582 WeakPolarHBondContact O-CE 3.36Å; S493-K582 PolarHBondContact OG-NZ 3.35Å; K582-E586 WeakPolarHBondContact CB-OE2 3.38Å; K582-E586 WeakPolarHBondContact CG-OE2 3.11Å; K582-E586 PolarHBondContact N-OE2 2.9Å; K582-E586 VanDerWaalsContact N-OE2 3.08Å
583	S	91.8	Very high	86.5	Confident	40 Å²	40	61.9 Å²	61.9	28%	0.28	29%	0.287	S	S	.	.	S	Bend	trans	-152.3	157.4	-178	67.9	0	0	0	0	110.8	A581 R585 E586 M587	A581-S583 VanDerWaalsContact C-N 3.27Å; A581-S583 PolarHBondContact O-N 2.93Å; S583-R585 PolarHBondContact O-N 2.76Å; S583-E586 PolarHBondContact O-N 2.98Å; S583-E586 VanDerWaalsContact O-N 3.17Å; S583-E586 PolarHBondContact OG-N 3.12Å; S583-M587 PolarHBondContact O-N 3.09Å
584	R	88.8	Confident	88	Confident	141 Å²	141	57.4 Å²	57.4	53%	0.532	26%	0.263	S	S	.	.	H	α-helix	trans	-55.6	-35.8	174.9	-168.6	128.9	-165.5	-173	5	113	E548 N559 M587 R588	E548-R584 IonicContact OE1-CZ 2.64Å; E548-R584 IonicContact OE1-NE 3.34Å; E548-R584 PolarHBondContact OE1-NE 3.41Å; E548-R584 IonicContact OE1-NH2 2.74Å; E548-R584 PolarHBondContact OE1-NH2 3.02Å; E548-R584 IonicContact OE2-NH2 2.81Å; E548-R584 PolarHBondContact OE2-NH2 2.87Å; N559-R584 WeakPolarHBondContact OD1-CA 3.4Å; N559-R584 VanDerWaalsContact OD1-CB 3.24Å; N559-R584 WeakPolarHBondContact OD1-CB 3.19Å; N559-R584 PolarHBondContact OD1-N 3.22Å; N559-R584 VanDerWaalsContact OD1-N 3.15Å; R584-M587 HydrophobicContact CG-CE 4.02Å; R584-R588 WeakPolarHBondContact O-CG 3.39Å; R584-R588 PolarHBondContact O-N 3.21Å; R584-R588 VanDerWaalsContact O-N 3.08Å
585	R	91.4	Very high	88.9	Confident	183 Å²	183	56.4 Å²	56.4	69%	0.691	26%	0.263	S	S	*	.	H	α-helix	trans	-65.2	-49.7	177.5	178.2	178.7	54.8	152.8	-0.1	111.4	S583 M587 R588 E589	S583-R585 PolarHBondContact O-N 2.76Å; R585-M587 VanDerWaalsContact C-N 3.29Å; R585-M587 PolarHBondContact O-N 3.05Å; R585-R588 PolarHBondContact O-N 3.06Å; R585-R588 VanDerWaalsContact O-N 3.12Å; R585-E589 WeakPolarHBondContact CG-OE1 3.42Å; R585-E589 WeakPolarHBondContact O-CG 3.03Å; R585-E589 PolarHBondContact O-N 3.36Å
586	E	91.2	Very high	88.9	Confident	27 Å²	27	55.6 Å²	55.6	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-37.8	178.4	-171.5	178.4	-159.4	0	0	111.2	A581 K582 S583 R588 E589 W590	A581-E586 HydrophobicContact CB-CB 4.3Å; A581-E586 HydrophobicContact CB-CG 4.42Å; K582-E586 WeakPolarHBondContact CB-OE2 3.38Å; K582-E586 WeakPolarHBondContact CG-OE2 3.11Å; K582-E586 PolarHBondContact N-OE2 2.9Å; K582-E586 VanDerWaalsContact N-OE2 3.08Å; S583-E586 PolarHBondContact O-N 2.98Å; S583-E586 VanDerWaalsContact O-N 3.17Å; S583-E586 PolarHBondContact OG-N 3.12Å; E586-R588 PolarHBondContact O-N 3.13Å; E586-E589 PolarHBondContact O-N 3.2Å; E586-W590 PolarHBondContact O-N 3.45Å
587	M	91.6	Very high	88.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-47.4	171.9	178.1	178.5	71.7	0	0	112	E548 N559 F561 A581 S583 R584 R585 E589 W590 L591	E548-M587 HydrophobicContact CG-CE 3.85Å; E548-M587 HydrophobicContact CG-SD 3.94Å; E548-M587 WeakPolarHBondContact OE1-CE 3.41Å; N559-M587 VanDerWaalsContact CA-SD 3.55Å; N559-M587 HydrophobicContact CB-SD 4.26Å; F561-M587 HydrophobicContact CD1-CG 3.9Å; A581-M587 HydrophobicContact CB-CB 3.77Å; S583-M587 PolarHBondContact O-N 3.09Å; R584-M587 HydrophobicContact CG-CE 4.02Å; R585-M587 VanDerWaalsContact C-N 3.29Å; R585-M587 PolarHBondContact O-N 3.05Å; M587-E589 VanDerWaalsContact C-N 3.33Å; M587-E589 PolarHBondContact O-N 3.14Å; M587-W590 PolarHBondContact O-N 3.13Å; M587-L591 HydrophobicContact CG-CD1 4.19Å; M587-L591 WeakPolarHBondContact O-CG 3.22Å; M587-L591 PolarHBondContact O-N 2.8Å
588	R	89.7	Confident	87.7	Confident	176 Å²	176	54.5 Å²	54.5	66%	0.664	27%	0.266	S	S	*	.	H	α-helix	trans	-66.6	-35.6	178.8	-68.4	-176.1	98.4	168	8.1	112.3	R584 R585 E586 S592	R584-R588 WeakPolarHBondContact O-CG 3.39Å; R584-R588 PolarHBondContact O-N 3.21Å; R584-R588 VanDerWaalsContact O-N 3.08Å; R585-R588 PolarHBondContact O-N 3.06Å; R585-R588 VanDerWaalsContact O-N 3.12Å; E586-R588 PolarHBondContact O-N 3.13Å; R588-S592 VanDerWaalsContact O-CB 3.28Å; R588-S592 WeakPolarHBondContact O-CB 3.26Å; R588-S592 PolarHBondContact O-N 2.62Å
589	E	91.7	Very high	85.7	Confident	85 Å²	85	59.9 Å²	59.9	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-45.7	172.5	-72.3	170.7	-167.9	0	0	110.9	H490 R585 E586 M587 S592 A593	H490-E589 IonicContact CE1-OE2 3.39Å; R585-E589 WeakPolarHBondContact CG-OE1 3.42Å; R585-E589 WeakPolarHBondContact O-CG 3.03Å; R585-E589 PolarHBondContact O-N 3.36Å; E586-E589 PolarHBondContact O-N 3.2Å; M587-E589 VanDerWaalsContact C-N 3.33Å; M587-E589 PolarHBondContact O-N 3.14Å; E589-S592 PolarHBondContact O-N 2.79Å; E589-A593 VanDerWaalsContact O-CB 3.23Å; E589-A593 WeakPolarHBondContact O-CB 3.16Å; E589-A593 PolarHBondContact O-N 2.85Å
590	W	93.6	Very high	83.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-49.2	174.4	-83.9	115.3	0	0	0	113	H490 M512 L514 L523 F561 E586 M587 S592 A593 I594	H490-W590 HydrophobicContact CB-CH2 4.3Å; H490-W590 HydrophobicContact CB-CZ3 4.16Å; H490-W590 AromaticContact CD2-CD2 3.44Å; H490-W590 VanDerWaalsContact CD2-CD2 3.44Å; H490-W590 AromaticContact CD2-CE2 3.48Å; H490-W590 VanDerWaalsContact CD2-CE2 3.48Å; H490-W590 AromaticContact CD2-CE3 3.48Å; H490-W590 VanDerWaalsContact CD2-CE3 3.48Å; H490-W590 AromaticContact CD2-CH2 3.65Å; H490-W590 AromaticContact CD2-CZ2 3.61Å; H490-W590 AromaticContact CD2-CZ3 3.58Å; H490-W590 AromaticContact NE2-CD2 3.91Å; H490-W590 AromaticContact NE2-CE2 3.8Å; H490-W590 AromaticContact NE2-NE1 3.96Å; M512-W590 HydrophobicContact CB-CH2 3.88Å; M512-W590 HydrophobicContact CB-CZ2 3.84Å; M512-W590 HydrophobicContact CE-CD2 3.2Å; M512-W590 HydrophobicContact CE-CE3 3.09Å; M512-W590 HydrophobicContact CE-CG 3.89Å; M512-W590 HydrophobicContact CE-CH2 3.7Å; M512-W590 HydrophobicContact CE-CZ2 3.79Å; M512-W590 HydrophobicContact CE-CZ3 3.36Å; M512-W590 HydrophobicContact CG-CH2 3.81Å; M512-W590 HydrophobicContact CG-CZ2 4.2Å; M512-W590 HydrophobicContact CG-CZ3 4.12Å; M512-W590 VanDerWaalsContact O-CH2 3.31Å; M512-W590 WeakPolarHBondContact O-CH2 3.45Å; M512-W590 WeakPolarHBondContact O-CZ2 3.43Å; L514-W590 HydrophobicContact CB-CZ3 4.06Å; L523-W590 HydrophobicContact CD1-CZ3 3.89Å; F561-W590 HydrophobicContact CE1-CB 4.2Å; F561-W590 HydrophobicContact CZ-CB 3.98Å; F561-W590 HydrophobicContact CZ-CG 4.28Å; E586-W590 PolarHBondContact O-N 3.45Å; M587-W590 PolarHBondContact O-N 3.13Å; W590-S592 VanDerWaalsContact C-N 3.31Å; W590-S592 PolarHBondContact O-N 2.93Å; W590-A593 PolarHBondContact O-N 3.11Å; W590-I594 HydrophobicContact CE3-CD1 4.06Å; W590-I594 HydrophobicContact CE3-CG1 4.2Å; W590-I594 WeakPolarHBondContact O-CB 3.4Å; W590-I594 VanDerWaalsContact O-CG1 3.23Å; W590-I594 WeakPolarHBondContact O-CG1 3.45Å; W590-I594 PolarHBondContact O-N 3.28Å
591	L	90	Very high	80.4	Confident	28 Å²	28	65.5 Å²	65.5	15%	0.147	33%	0.334	C	S	.	.	H	α-helix	trans	-57.5	-46	177	-70.6	175.3	0	0	0	110.7	V546 E548 F561 M587 S595	V546-L591 HydrophobicContact CG1-CD2 3.5Å; E548-L591 HydrophobicContact CB-CD1 4.39Å; F561-L591 HydrophobicContact CB-CD2 3.95Å; F561-L591 HydrophobicContact CD2-CD2 4.15Å; F561-L591 HydrophobicContact CG-CD2 4.15Å; M587-L591 HydrophobicContact CG-CD1 4.19Å; M587-L591 WeakPolarHBondContact O-CG 3.22Å; M587-L591 PolarHBondContact O-N 2.8Å; L591-S595 WeakPolarHBondContact O-CB 3.44Å; L591-S595 PolarHBondContact O-N 3.37Å; L591-S595 PolarHBondContact O-OG 3.43Å
592	S	86.6	Confident	77.6	Confident	81 Å²	81	73 Å²	73	57%	0.566	37%	0.372	S	S	*	.	H	α-helix	trans	-65.6	-45.4	178.6	-171.4	0	0	0	0	112.4	R588 E589 W590 S596	R588-S592 VanDerWaalsContact O-CB 3.28Å; R588-S592 WeakPolarHBondContact O-CB 3.26Å; R588-S592 PolarHBondContact O-N 2.62Å; E589-S592 PolarHBondContact O-N 2.79Å; W590-S592 VanDerWaalsContact C-N 3.31Å; W590-S592 PolarHBondContact O-N 2.93Å; S592-S596 WeakPolarHBondContact O-CB 3.49Å; S592-S596 PolarHBondContact O-N 3.3Å; S592-S596 PolarHBondContact O-OG 2.64Å
593	A	87.8	Confident	74.6	Confident	15 Å²	15	68.8 Å²	68.8	12%	0.124	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-48.4	-178.3	0	0	0	0	0	111.1	H490 L514 E589 W590 S596 C597	H490-A593 HydrophobicContact CB-CB 4.4Å; L514-A593 HydrophobicContact CD2-CB 4.05Å; E589-A593 VanDerWaalsContact O-CB 3.23Å; E589-A593 WeakPolarHBondContact O-CB 3.16Å; E589-A593 PolarHBondContact O-N 2.85Å; W590-A593 PolarHBondContact O-N 3.11Å; A593-S596 PolarHBondContact O-N 3.07Å; A593-S596 PolarHBondContact O-OG 2.74Å; A593-C597 WeakPolarHBondContact O-CB 3.46Å; A593-C597 PolarHBondContact O-N 3.37Å; A593-C597 VanDerWaalsContact O-N 3.1Å; A593-C597 PolarHBondContact O-SG 2.89Å
594	I	87.7	Confident	71.3	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-64.4	-49.6	178.5	-61.5	167.8	0	0	0	109.6	M512 L523 I543 V546 F561 L563 W590 S596 C597 T598	M512-I594 HydrophobicContact CE-CD1 4.05Å; L523-I594 HydrophobicContact CD2-CD1 4.08Å; I543-I594 HydrophobicContact CD1-CG2 3.6Å; V546-I594 HydrophobicContact CG1-CG2 4.4Å; V546-I594 HydrophobicContact CG2-CG2 3.79Å; F561-I594 HydrophobicContact CE2-CD1 4.31Å; L563-I594 HydrophobicContact CD1-CD1 4.22Å; W590-I594 HydrophobicContact CE3-CD1 4.06Å; W590-I594 HydrophobicContact CE3-CG1 4.2Å; W590-I594 WeakPolarHBondContact O-CB 3.4Å; W590-I594 VanDerWaalsContact O-CG1 3.23Å; W590-I594 WeakPolarHBondContact O-CG1 3.45Å; W590-I594 PolarHBondContact O-N 3.28Å; I594-S596 VanDerWaalsContact C-N 3.32Å; I594-S596 PolarHBondContact O-N 2.96Å; I594-C597 CarbonylContact O-C 3.6Å; I594-C597 PolarHBondContact O-N 3.34Å; I594-T598 HydrophobicContact CG2-CG2 3.92Å; I594-T598 WeakPolarHBondContact O-CG2 3.47Å; I594-T598 PolarHBondContact O-N 3.24Å; I594-T598 PolarHBondContact O-OG1 2.88Å
595	S	80.6	Confident	68.3	Low	54 Å²	54	70.1 Å²	70.1	38%	0.378	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-42.8	179.9	-66.7	0	0	0	0	112.4	L591 C597 T598 D599	L591-S595 WeakPolarHBondContact O-CB 3.44Å; L591-S595 PolarHBondContact O-N 3.37Å; L591-S595 PolarHBondContact O-OG 3.43Å; S595-C597 VanDerWaalsContact C-N 3.32Å; S595-C597 PolarHBondContact O-N 2.81Å; S595-T598 WeakPolarHBondContact CA-OG1 3.27Å; S595-T598 PolarHBondContact O-N 2.7Å; S595-T598 PolarHBondContact O-OG1 2.92Å; S595-D599 PolarHBondContact O-N 3.35Å
596	S	75.3	Confident	65	Low	72 Å²	72	68.4 Å²	68.4	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-62.5	-37.1	175.6	70	0	0	0	0	113.2	S592 A593 I594	S592-S596 WeakPolarHBondContact O-CB 3.49Å; S592-S596 PolarHBondContact O-N 3.3Å; S592-S596 PolarHBondContact O-OG 2.64Å; A593-S596 PolarHBondContact O-N 3.07Å; A593-S596 PolarHBondContact O-OG 2.74Å; I594-S596 VanDerWaalsContact C-N 3.32Å; I594-S596 PolarHBondContact O-N 2.96Å
597	C	75.9	Confident	61.8	Low	10 Å²	10	70.8 Å²	70.8	7%	0.068	45%	0.448	C	S	.	.	H	α-helix	trans	-81	-18.6	179	-65.9	0	0	0	0	113	L514 Y521 C540 A593 I594 S595 D599	L514-C597 HydrophobicContact CD2-CB 4.45Å; Y521-C597 HydrophobicContact CD1-CB 4.32Å; Y521-C597 HydrophobicContact CD2-CB 3.81Å; Y521-C597 HydrophobicContact CE2-CB 4.45Å; Y521-C597 HydrophobicContact CG-CB 3.72Å; C540-C597 HydrophobicContact CB-CB 4.19Å; A593-C597 WeakPolarHBondContact O-CB 3.46Å; A593-C597 PolarHBondContact O-N 3.37Å; A593-C597 VanDerWaalsContact O-N 3.1Å; A593-C597 PolarHBondContact O-SG 2.89Å; I594-C597 CarbonylContact O-C 3.6Å; I594-C597 PolarHBondContact O-N 3.34Å; S595-C597 VanDerWaalsContact C-N 3.32Å; S595-C597 PolarHBondContact O-N 2.81Å; C597-D599 VanDerWaalsContact C-N 3.33Å
598	T	69.5	Low	58.5	Low	25 Å²	25	75.8 Å²	75.8	15%	0.153	49%	0.489	C	S	.	.	H	α-helix	trans	-76.8	-22.5	174.3	59.5	0	0	0	0	112.5	C540 I543 I594 S595 R754	C540-T598 HydrophobicContact CB-CG2 4.28Å; C540-T598 WeakPolarHBondContact O-CG2 3.39Å; I543-T598 HydrophobicContact CB-CG2 4.03Å; I543-T598 HydrophobicContact CD1-CG2 4.31Å; I543-T598 HydrophobicContact CG2-CG2 4.4Å; I594-T598 HydrophobicContact CG2-CG2 3.92Å; I594-T598 WeakPolarHBondContact O-CG2 3.47Å; I594-T598 PolarHBondContact O-N 3.24Å; I594-T598 PolarHBondContact O-OG1 2.88Å; S595-T598 WeakPolarHBondContact CA-OG1 3.27Å; S595-T598 PolarHBondContact O-N 2.7Å; S595-T598 PolarHBondContact O-OG1 2.92Å; T598-R754 PolarHBondContact O-NH2 3.49Å
599	D	48.8	Very low	55.4	Low	135 Å²	135	74.2 Å²	74.2	72%	0.722	49%	0.494	S	S	*	.	S	Bend	trans	-102.6	7.7	-173	-132.8	1.1	0	0	0	113.3	S595 C597 S601	S595-D599 PolarHBondContact O-N 3.35Å; C597-D599 VanDerWaalsContact C-N 3.33Å; D599-S601 VanDerWaalsContact C-N 3.32Å; D599-S601 PolarHBondContact O-N 3.47Å
600	D	40.6	Very low	52.1	Low	62 Å²	62	75.5 Å²	75.5	33%	0.332	51%	0.512	S	S	.	.			trans	-78.3	81.9	-168.2	-143.1	-7.6	0	0	0	112.1	Y521 L602 G603	Y521-D600 HydrophobicContact CD2-CB 4.34Å; Y521-D600 HydrophobicContact CE2-CB 3.68Å; Y521-D600 WeakPolarHBondContact CE2-OD2 3.36Å; Y521-D600 PolarHBondContact OH-OD2 3.2Å; D600-L602 PolarHBondContact O-N 2.94Å; D600-L602 VanDerWaalsContact O-N 3.13Å; D600-L602 PolarHBondContact OD1-N 3.09Å; D600-G603 PolarHBondContact OD1-N 3.29Å
601	S	33.9	Very low	48.8	Very low	99 Å²	99	81.4 Å²	81.4	69%	0.692	55%	0.553	S	S	*	*	S	Bend	trans	-71.8	74.3	147.4	46.3	0	0	0	0	109	D599	D599-S601 VanDerWaalsContact C-N 3.32Å; D599-S601 PolarHBondContact O-N 3.47Å
602	L	33.2	Very low	45.7	Very low	161 Å²	161	87.9 Å²	87.9	84%	0.843	58%	0.583	S	S	*	*	S	Bend	trans	55.5	80.1	164.2	-60.8	165	0	0	0	116.8	D600	D600-L602 PolarHBondContact O-N 2.94Å; D600-L602 VanDerWaalsContact O-N 3.13Å; D600-L602 PolarHBondContact OD1-N 3.09Å
603	G	26	Very low	42.5	Very low	51 Å²	51	94.5 Å²	94.5	53%	0.526	60%	0.596	S	S	.	*				92.9	81.6	124.2	0	0	0	0	0	117.4	D600	D600-G603 PolarHBondContact OD1-N 3.29Å
604	A	23.6	Very low	39.4	Very low	105 Å²	105	101.4 Å²	101.4	87%	0.868	63%	0.63	S	S	*	*			trans	-70.4	123.4	158.1	0	0	0	0	0	110.5
605	S	25.3	Very low	36.4	Very low	103 Å²	103	109.1 Å²	109.1	72%	0.72	67%	0.671	S	S	*	*			trans	-125.1	137.4	157.5	60	0	0	0	0	110
606	T	23.5	Very low	33.5	Very low	147 Å²	147	115.4 Å²	115.4	90%	0.902	70%	0.697	S	S	*	*			trans	-47.2	119.3	-174	49.7	0	0	0	0	115.1
607	G	22.8	Very low	30.9	Very low	78 Å²	78	120.6 Å²	120.6	80%	0.804	72%	0.717	S	S	*	*			trans	-129	86.6	159.3	0	0	0	0	0	108.3
608	A	23.2	Very low	28.4	Very low	104 Å²	104	123.2 Å²	123.2	86%	0.86	75%	0.746	S	S	*	*			trans	-84.3	110	163.9	0	0	0	0	0	106.8
609	D	24.4	Very low	26.3	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	78%	0.777	S	S	*	*			trans	-141.3	102.8	159.6	-138.3	-6.2	0	0	0	110.4
610	S	22.3	Very low	25	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	78%	0.781	S	S	*	*			trans	28.1	93.5	130.4	-32.4	0	0	0	0	117.2
611	S	24.9	Very low	24.1	Very low	124 Å²	124	128.4 Å²	128.4	87%	0.867	80%	0.804	S	S	*	*			trans	-134.3	80	150.6	-170.2	0	0	0	0	108.6
612	E	23.4	Very low	23.8	Very low	165 Å²	165	128.8 Å²	128.8	77%	0.771	81%	0.814	S	S	*	*			trans	-88	149.8	156.2	-73.4	-165.7	153.6	0	0	109.1
613	R	19.5	Very low	23.3	Very low	220 Å²	220	130.8 Å²	130.8	83%	0.83	82%	0.815	S	S	*	*			trans	96.6	96.6	160.5	-54.6	180	173	-173.1	-5.6	115.8
614	L	23.1	Very low	23.3	Very low	160 Å²	160	134 Å²	134	84%	0.838	83%	0.83	S	S	*	*				-179.4	103.4	116.3	-94.2	160.4	0	0	0	109.9
615	N	24.5	Very low	23.2	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	83%	0.833	S	S	*	*			trans	167.9	90	131.8	-88.7	-12	0	0	0	110.4
616	M	20.1	Very low	23.2	Very low	186 Å²	186	137.3 Å²	137.3	92%	0.916	84%	0.836	S	S	*	*			trans	-120.1	100	158.5	-87	-123.9	-66.6	0	0	107.5
617	I	20.9	Very low	23.3	Very low	180 Å²	180	135.1 Å²	135.1	92%	0.923	83%	0.833	S	S	*	*			trans	-151.2	120.2	154.8	-57.4	-175.6	0	0	0	107.4
618	G	23.3	Very low	23.1	Very low	66 Å²	66	141 Å²	141	68%	0.68	84%	0.837	S	S	*	*			trans	162	65.5	172	0	0	0	0	0	116.4
619	S	24.3	Very low	23.3	Very low	117 Å²	117	148.1 Å²	148.1	82%	0.818	84%	0.842	S	S	*	*			trans	57	102.1	137.1	-41	0	0	0	0	120
620	A	22.5	Very low	23.1	Very low	97 Å²	97	147.7 Å²	147.7	80%	0.802	85%	0.848	S	S	*	*				55.5	100.4	107	0	0	0	0	0	115.8
621	S	21.5	Very low	23.2	Very low	116 Å²	116	145.1 Å²	145.1	81%	0.811	84%	0.839	S	S	*	*				63.2	103.4	92.1	-176.4	0	0	0	0	115.5
622	A	27.1	Very low	23.2	Very low	108 Å²	108	146.8 Å²	146.8	89%	0.893	84%	0.839	S	S	*	*			trans	-144.6	102.4	148.6	0	0	0	0	0	108.9
623	K	23.3	Very low	23	Very low	202 Å²	202	148.7 Å²	148.7	88%	0.878	85%	0.845	S	S	*	*			trans	-82.3	136.9	164.2	-75.3	176.4	173.2	178.8	0	108.1
624	S	26.6	Very low	23.6	Very low	119 Å²	119	147.6 Å²	147.6	83%	0.832	85%	0.849	S	S	*	*			trans	-141.2	120.2	156.9	63.9	0	0	0	0	109.8
625	E	21.4	Very low	23.6	Very low	201 Å²	201	144.5 Å²	144.5	94%	0.939	84%	0.84	S	S	*	*			trans	-70.3	156.2	175	-63	173.1	138.1	0	0	111.9
626	G	25.1	Very low	23.6	Very low	76 Å²	76	144.1 Å²	144.1	78%	0.784	84%	0.837	S	S	*	*			trans	-176.4	78	175.8	0	0	0	0	0	115
627	A	24.8	Very low	24.2	Very low	102 Å²	102	141 Å²	141	84%	0.843	83%	0.831	S	S	*	*			trans	35.8	123.9	145	0	0	0	0	0	122.5
628	F	19.6	Very low	24.4	Very low	200 Å²	200	140.4 Å²	140.4	88%	0.877	83%	0.829	S	S	*	*			trans	-41.7	143.4	155.8	-88.9	-113.4	0	0	0	115.6
629	R	25.8	Very low	24.5	Very low	255 Å²	255	149.2 Å²	149.2	96%	0.962	84%	0.842	S	S	*	*			trans	-143.1	134.8	138.4	-75.7	-150.1	165	-144.2	-4.6	111.4
630	C	20.5	Very low	24.4	Very low	134 Å²	134	147.4 Å²	147.4	91%	0.905	84%	0.841	S	S	*	*			trans	-115.1	148	179.8	175.2	0	0	0	0	108.6
631	G	24.9	Very low	24.7	Very low	57 Å²	57	146.5 Å²	146.5	59%	0.588	84%	0.842	S	S	*	*			trans	146.8	138.9	174.5	0	0	0	0	0	109
632	D	25.8	Very low	24.9	Very low	160 Å²	160	148.6 Å²	148.6	86%	0.856	84%	0.843	S	S	*	*			cis	-157.8	153.7	-5.7	-97.6	-48.1	0	0	0	106.7
633	F	19.5	Very low	24.9	Very low	204 Å²	204	153.8 Å²	153.8	90%	0.895	85%	0.846	S	S	*	*			trans	-69.7	136.6	176.6	-86.1	-107.5	0	0	0	111.7
634	H	30.5	Very low	25.1	Very low	198 Å²	198	149.6 Å²	149.6	92%	0.917	84%	0.838	S	S	*	*			trans	-123.2	124.1	153.4	-92.7	-74.5	0	0	0	110.2
635	S	23.4	Very low	25	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	83%	0.83	S	S	*	*			trans	-104.5	134.8	-173.7	50.9	0	0	0	0	112.5
636	L	24.6	Very low	25.1	Very low	154 Å²	154	150.1 Å²	150.1	81%	0.806	83%	0.827	S	S	*	*			trans	62.2	164.2	144.7	-60.1	177.1	0	0	0	118.5
637	P	32.5	Very low	25.2	Very low	122 Å²	122	156.5 Å²	156.5	79%	0.792	83%	0.828	S	S	*	*			cis	-136.9	176	10	37.4	-15.9	0	0	0	117.5
638	L	25.2	Very low	25.1	Very low	167 Å²	167	157 Å²	157	87%	0.874	83%	0.825	S	S	*	*			trans	-61.7	147.3	178.8	-61.9	146.7	0	0	0	115.2
639	R	25.2	Very low	25.6	Very low	250 Å²	250	157.3 Å²	157.3	94%	0.943	82%	0.822	S	S	*	*			trans	-131.7	115.9	158.9	-163.4	175	-175.3	167.6	1.4	109.6
640	G	21.7	Very low	25.4	Very low	79 Å²	79	153.4 Å²	153.4	81%	0.814	82%	0.819	S	S	*	*			trans	-82.4	160.2	174.5	0	0	0	0	0	112.9
641	G	29.1	Very low	25.7	Very low	79 Å²	79	156.2 Å²	156.2	81%	0.814	82%	0.816	S	S	*	*			trans	-171.9	79	175.5	0	0	0	0	0	110.5
642	L	25.5	Very low	25.6	Very low	159 Å²	159	157.9 Å²	157.9	83%	0.832	82%	0.819	S	S	*	*			trans	-74.2	128.7	168.2	-77.4	151.7	0	0	0	109.4
643	F	28.4	Very low	25.5	Very low	217 Å²	217	157.4 Å²	157.4	95%	0.952	81%	0.812	S	S	*	*			trans	-142.8	130.6	149.4	-96.6	-77.5	0	0	0	110.3
644	T	26.2	Very low	25.8	Very low	115 Å²	115	158.4 Å²	158.4	71%	0.706	81%	0.811	S	S	*	*			trans	-101.9	135.2	-166.3	48.9	0	0	0	0	111.7
645	S	24.4	Very low	25.5	Very low	96 Å²	96	154 Å²	154	67%	0.671	80%	0.803	S	S	*	*				58.6	135.7	124.3	-179.1	0	0	0	0	122.6
646	R	24.8	Very low	25.7	Very low	234 Å²	234	155 Å²	155	88%	0.883	81%	0.81	S	S	*	*			trans	76.3	138	158.6	-74.1	160.4	179.9	-146.3	-2	115.3
647	R	26.2	Very low	25.8	Very low	210 Å²	210	153.7 Å²	153.7	79%	0.792	81%	0.808	S	S	*	*				-171.3	146.9	50.3	-146.1	174.1	-172.1	174.1	-0.1	110.2
648	S	23.7	Very low	25.4	Very low	113 Å²	113	153.5 Å²	153.5	79%	0.79	81%	0.808	S	S	*	*			trans	-73.9	146	174.4	-26.8	0	0	0	0	112.9
649	Y	29	Very low	25.6	Very low	206 Å²	206	150.5 Å²	150.5	81%	0.808	81%	0.808	S	S	*	*			trans	-139.6	141.1	162	-82.7	-81.2	0	0	0	111.8
650	L	23.3	Very low	25.7	Very low	173 Å²	173	142.6 Å²	142.6	91%	0.906	80%	0.803	S	S	*	*			trans	-89.4	143.3	-175.8	-68.3	158.5	0	0	0	112.3
651	F	26.1	Very low	25.8	Very low	193 Å²	193	144.6 Å²	144.6	85%	0.846	81%	0.805	S	S	*	*			trans	-171.6	103.5	150.2	-143.1	-99.8	0	0	0	107.6
652	S	21.6	Very low	25.7	Very low	92 Å²	92	145.9 Å²	145.9	64%	0.643	80%	0.801	S	S	*	*				65.2	130.4	72.7	-157.9	0	0	0	0	116.2
653	Q	24.1	Very low	25.7	Very low	151 Å²	151	142.1 Å²	142.1	71%	0.706	79%	0.793	S	S	*	*			trans	82.1	102.5	168.5	-53.8	-164.6	23.6	0	0	118.2
654	Y	26.7	Very low	25.7	Very low	224 Å²	224	138.1 Å²	138.1	88%	0.878	79%	0.787	S	S	*	*				-162.2	133.4	96.8	-109.7	-87.2	0	0	0	110.3
655	S	23.5	Very low	25.8	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	80%	0.799	S	S	*	*			trans	-95	133.4	178	166.6	0	0	0	0	109.6
656	S	27.4	Very low	25.9	Very low	114 Å²	114	150 Å²	150	80%	0.797	81%	0.81	S	S	*	*			trans	-147.1	91.6	154.7	67.3	0	0	0	0	110.9
657	V	26.6	Very low	25.8	Very low	126 Å²	126	143.2 Å²	143.2	76%	0.764	80%	0.804	S	S	*	*				45.6	113.1	129.9	-170.6	0	0	0	0	118.8
658	C	25.1	Very low	25.9	Very low	119 Å²	119	141.6 Å²	141.6	80%	0.804	81%	0.805	S	S	*	*			trans	-43.3	144.4	158.4	47	0	0	0	0	117.8
659	A	29	Very low	25.8	Very low	104 Å²	104	144.2 Å²	144.2	86%	0.86	81%	0.806	S	S	*	*			trans	-155.3	119.9	140.6	0	0	0	0	0	111.4
660	G	26.5	Very low	25.6	Very low	83 Å²	83	145.2 Å²	145.2	86%	0.856	81%	0.809	S	S	*	*				81.3	92.4	122.9	0	0	0	0	0	119
661	S	25.1	Very low	25.5	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	81%	0.805	S	S	*	*			trans	-76.9	175.9	165.9	-165.9	0	0	0	0	113.3
662	S	26.9	Very low	25.4	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	80%	0.8	S	S	*	*			trans	86.5	103.3	159.3	-121.9	0	0	0	0	116.7
663	A	25.1	Very low	25.6	Very low	80 Å²	80	141 Å²	141	66%	0.661	80%	0.804	S	S	*	*				71.2	125.9	65.3	0	0	0	0	0	114.9
664	T	27.7	Very low	25.6	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	81%	0.806	S	S	*	*			trans	83.8	106.8	161.2	75.1	0	0	0	0	118.5
665	R	29.3	Very low	25.5	Very low	253 Å²	253	138.9 Å²	138.9	96%	0.955	80%	0.803	S	S	*	*			trans	-161	123.6	132.1	-105.5	170.7	-151.4	-113	4.1	112
666	K	25.7	Very low	25.8	Very low	208 Å²	208	138.7 Å²	138.7	90%	0.904	81%	0.808	S	S	*	*			trans	-28.6	146.2	174.6	-73.1	169	173.3	178.1	0	119.1
667	A	22.7	Very low	25.7	Very low	91 Å²	91	137.8 Å²	137.8	75%	0.752	81%	0.807	S	S	*	*			trans	-56.8	142.1	164.2	0	0	0	0	0	113.2
668	H	28.9	Very low	25.7	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.815	81%	0.814	S	S	*	*			trans	-130	101.3	152.5	-131.5	-81.5	0	0	0	107.3
669	M	21.8	Very low	25.6	Very low	168 Å²	168	146.2 Å²	146.2	83%	0.828	82%	0.816	S	S	*	*			trans	-76.5	121.4	164.6	-89	-87.3	145.2	0	0	107.6
670	R	25.4	Very low	25.5	Very low	228 Å²	228	150.9 Å²	150.9	86%	0.86	82%	0.817	S	S	*	*			trans	-124.3	104.8	169	-157.3	173.6	-176	117.5	-0.4	107.4
671	L	20.5	Very low	25.7	Very low	159 Å²	159	153 Å²	153	83%	0.832	82%	0.816	S	S	*	*			trans	-105.5	111.8	172.4	-94.5	163.9	0	0	0	107.6
672	S	24.2	Very low	25.7	Very low	105 Å²	105	153.5 Å²	153.5	73%	0.734	81%	0.814	S	S	*	*			trans	162.7	118.8	146.6	57.7	0	0	0	0	109.9
673	S	24.9	Very low	25.6	Very low	105 Å²	105	160.5 Å²	160.5	73%	0.734	82%	0.824	S	S	*	*				162.2	104.2	119.3	63.4	0	0	0	0	111.4
674	I	24.6	Very low	25.6	Very low	143 Å²	143	161.5 Å²	161.5	73%	0.733	83%	0.826	S	S	*	*				69.7	133	105.7	-23.2	-169.3	0	0	0	116.8
675	F	24.2	Very low	25.7	Very low	188 Å²	188	161 Å²	161	83%	0.825	83%	0.828	S	S	*	*			trans	88.8	104.7	155.4	-73.8	-73.8	0	0	0	119.6
676	A	30.9	Very low	25.5	Very low	103 Å²	103	152.3 Å²	152.3	85%	0.851	82%	0.817	S	S	*	*				-162.3	105.1	121.9	0	0	0	0	0	110
677	A	24	Very low	25.5	Very low	94 Å²	94	149.5 Å²	149.5	78%	0.777	81%	0.812	S	S	*	*			trans	-68.3	144.2	168.5	0	0	0	0	0	110.6
678	R	26.9	Very low	26	Very low	242 Å²	242	154.3 Å²	154.3	91%	0.913	82%	0.819	S	S	*	*			trans	-148	94.8	160.7	-123.3	175.9	172.7	155	-1.2	111.7
679	E	24.4	Very low	25.6	Very low	181 Å²	181	153.1 Å²	153.1	85%	0.846	82%	0.817	S	S	*	*			trans	28.4	127.1	142.5	-66.3	177.1	161.1	0	0	122.1
680	F	25.7	Very low	26	Very low	201 Å²	201	154.8 Å²	154.8	88%	0.882	82%	0.821	S	S	*	*			trans	-73.2	155.4	162.1	-74.9	-92	0	0	0	113
681	P	31.2	Very low	26.1	Very low	127 Å²	127	149.2 Å²	149.2	83%	0.825	82%	0.817	S	S	*	*			trans	-121.1	127.7	139.4	23.3	-6.1	0	0	0	111.6
682	V	24.5	Very low	26.2	Very low	133 Å²	133	146.6 Å²	146.6	81%	0.806	81%	0.812	S	S	*	*			trans	-81.2	136	170.1	171.3	0	0	0	0	109.1
683	R	25.9	Very low	26.4	Very low	252 Å²	252	146.5 Å²	146.5	95%	0.951	81%	0.811	S	S	*	*			trans	-139	117.1	156.1	-131.5	179.6	-176.1	-161.1	0.4	111.1
684	S	23.6	Very low	26.6	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	81%	0.814	S	S	*	*			trans	-70.6	154.5	176.8	97.3	0	0	0	0	111.6
685	S	30	Very low	26.5	Very low	122 Å²	122	150.8 Å²	150.8	85%	0.853	82%	0.82	S	S	*	*			trans	-176.2	118.6	130.1	-77.2	0	0	0	0	112.3
686	G	26.2	Very low	26.7	Very low	71 Å²	71	152.4 Å²	152.4	73%	0.732	82%	0.821	S	S	*	*				85	85.1	117.7	0	0	0	0	0	120
687	N	25.4	Very low	26.3	Very low	150 Å²	150	157.1 Å²	157.1	80%	0.802	82%	0.817	S	S	*	*				20.2	128.1	125.6	-61.9	-17.1	0	0	0	119.2
688	H	31.7	Very low	26.5	Very low	191 Å²	191	157.4 Å²	157.4	88%	0.884	81%	0.813	S	S	*	*				-158.1	119	122.1	-103.1	-75.3	0	0	0	110.9
689	L	22.6	Very low	26.2	Very low	151 Å²	151	155 Å²	155	79%	0.791	81%	0.805	S	S	*	*			trans	-66	149.2	162.9	-68.3	139.3	0	0	0	109.6
690	F	28.4	Very low	26.3	Very low	204 Å²	204	151.5 Å²	151.5	90%	0.895	80%	0.801	S	S	*	*				174.7	139.8	118.6	-99.5	-71.7	0	0	0	113.9
691	S	27.4	Very low	26.3	Very low	111 Å²	111	147 Å²	147	78%	0.776	79%	0.794	S	S	*	*			trans	85.6	98.8	142.6	-148.5	0	0	0	0	120.9
692	S	23.2	Very low	26.1	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	79%	0.786	S	S	*	*			trans	-49.8	167.1	151.3	-55.1	0	0	0	0	115.7
693	S	27.7	Very low	26.3	Very low	102 Å²	102	148 Å²	148	71%	0.713	79%	0.79	S	S	*	*			trans	91.5	117.6	147.9	76.4	0	0	0	0	117.8
694	Q	30.6	Very low	26.2	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	79%	0.785	S	S	*	*				172.4	113.7	102.2	-85.3	-81	4.4	0	0	108.8
695	L	22.7	Very low	26.6	Very low	167 Å²	167	141.7 Å²	141.7	87%	0.874	79%	0.79	S	S	*	*			trans	-77	113.7	169.4	-151.1	78.4	0	0	0	107.1
696	R	28.4	Very low	26.5	Very low	222 Å²	222	143.4 Å²	143.4	84%	0.838	79%	0.79	S	S	*	*			trans	-123	103.4	167.6	-112.3	-171.7	-176.7	-131.8	3.5	109.6
697	R	22.8	Very low	26.6	Very low	203 Å²	203	145.7 Å²	145.7	77%	0.766	79%	0.792	S	S	*	*			trans	-78.3	124.5	158.3	-82.1	177.9	170.9	-131.3	1.7	107.7
698	S	26.5	Very low	27	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	79%	0.792	S	S	*	*			trans	-122.1	128.7	166.5	-63.1	0	0	0	0	108.6
699	Y	21.3	Very low	26.9	Very low	190 Å²	190	142 Å²	142	75%	0.745	79%	0.789	S	S	*	*			trans	-95.4	169.9	171.7	-73.8	-90.3	0	0	0	110.6
700	S	27.3	Very low	27	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	79%	0.786	S	S	*	*			trans	99.2	103.9	168.1	-46.6	0	0	0	0	113.3
701	S	24.7	Very low	26.8	Very low	105 Å²	105	136.4 Å²	136.4	73%	0.734	78%	0.782	S	S	*	*				74.6	141.5	68.9	78.6	0	0	0	0	114.3
702	S	26.8	Very low	26.6	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	78%	0.784	S	S	*	*			trans	104.5	123.8	151.1	-12.5	0	0	0	0	119.3
703	Q	28.9	Very low	26.9	Very low	188 Å²	188	143.4 Å²	143.4	88%	0.879	78%	0.781	S	S	*	*			trans	104.3	107.7	135.4	-73.8	176.5	58.3	0	0	119.5
704	A	24.4	Very low	27.1	Very low	102 Å²	102	145.7 Å²	145.7	84%	0.843	78%	0.78	S	S	*	*			trans	-65.6	151.9	161.6	0	0	0	0	0	112.3
705	S	32.4	Very low	26.8	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	78%	0.782	S	S	*	*			trans	-139.3	153.7	162.6	58.5	0	0	0	0	110.2
706	N	26.9	Very low	26.8	Very low	158 Å²	158	148.9 Å²	148.9	85%	0.845	78%	0.784	S	S	*	*			trans	-77.6	165.2	-146.7	-75.2	-34.1	0	0	0	118.2
707	P	28.8	Very low	26.9	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	79%	0.785	S	S	*	*			trans	-86.3	149	174.1	34.5	-33.6	0	0	0	113.7
708	T	33.5	Very low	27.1	Very low	132 Å²	132	140.2 Å²	140.2	81%	0.81	79%	0.789	S	S	*	*			trans	-121.6	112.1	175	39.6	0	0	0	0	112.2
709	T	30.3	Very low	27.2	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	79%	0.794	S	S	*	*			trans	61.6	96.1	130.7	-34.7	0	0	0	0	121.7
710	S	24.4	Very low	27.5	Very low	105 Å²	105	136 Å²	136	73%	0.734	80%	0.8	S	S	*	*				47.9	105.4	118.1	-155	0	0	0	0	123.1
711	V	24	Very low	27.6	Very low	133 Å²	133	135.1 Å²	135.1	81%	0.806	80%	0.799	S	S	*	*				21.5	119.9	123.7	-170.8	0	0	0	0	120.7
712	R	23.6	Very low	27.8	Very low	218 Å²	218	137.8 Å²	137.8	82%	0.823	80%	0.804	S	S	*	*			trans	171.1	123.3	146.9	-108.4	175.7	-176.6	164.6	2.4	108
713	H	30	Very low	27.8	Very low	143 Å²	143	141.1 Å²	141.1	66%	0.662	81%	0.814	S	S	*	*				179.9	148.5	67.6	-93	-76.8	0	0	0	110.7
714	H	30.9	Very low	27.7	Very low	151 Å²	151	140.1 Å²	140.1	70%	0.699	81%	0.814	S	S	*	*			trans	28.4	120.7	151.9	-51.8	-68.5	0	0	0	121.8
715	L	23.8	Very low	28	Very low	160 Å²	160	139 Å²	139	84%	0.838	81%	0.812	S	S	*	*				64.4	122.8	71.1	-82.2	150.9	0	0	0	116.8
716	R	24	Very low	27.7	Very low	245 Å²	245	141.1 Å²	141.1	93%	0.925	81%	0.814	S	S	*	*			trans	98.7	105.9	158.5	-71.1	-178.6	166.2	-116.3	-1.2	118.7
717	S	30.8	Very low	27.6	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	82%	0.819	S	S	*	*				-162.8	116.6	124.8	-179.7	0	0	0	0	109.3
718	S	26.5	Very low	27.4	Very low	121 Å²	121	143.3 Å²	143.3	85%	0.846	82%	0.817	S	S	*	*			trans	-79.2	138.7	172.5	-65.7	0	0	0	0	110
719	G	28.1	Very low	27.1	Very low	79 Å²	79	144.5 Å²	144.5	81%	0.814	82%	0.817	S	S	*	*			trans	-155	45.1	175	0	0	0	0	0	112.2	A721	G719-A721 PolarHBondContact O-N 3.22Å
720	S	27.2	Very low	26.8	Very low	123 Å²	123	147.3 Å²	147.3	86%	0.86	82%	0.821	S	S	*	*			trans	-86.2	89.3	171.1	55.3	0	0	0	0	109.4
721	A	30.5	Very low	26.8	Very low	90 Å²	90	149.6 Å²	149.6	74%	0.744	82%	0.822	S	S	*	*			trans	-105.2	102.7	170.6	0	0	0	0	0	110.3	G719	G719-A721 PolarHBondContact O-N 3.22Å
722	L	28.2	Very low	26.8	Very low	161 Å²	161	148.3 Å²	148.3	84%	0.843	82%	0.819	S	S	*	*			trans	56.5	91.6	137.9	-57.8	174.1	0	0	0	118.9	N724	L722-N724 PolarHBondContact O-N 3.42Å
723	L	26.2	Very low	26.8	Very low	165 Å²	165	143.5 Å²	143.5	86%	0.864	83%	0.826	S	S	*	*			trans	-48.8	113.5	133.6	-85.4	141.1	0	0	0	110.1
724	N	27.7	Very low	26.4	Very low	166 Å²	166	140 Å²	140	89%	0.888	83%	0.828	S	S	*	*			trans	-177.1	89.1	145.1	-90.4	-20.5	0	0	0	109.3	L722	L722-N724 PolarHBondContact O-N 3.42Å
725	G	30.3	Very low	25.9	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	83%	0.833	S	S	*	*			trans	-159	43.7	177.7	0	0	0	0	0	111.8
726	L	26.2	Very low	26	Very low	163 Å²	163	137.5 Å²	137.5	85%	0.853	83%	0.833	S	S	*	*			trans	-121.5	99.8	173	-82.4	166.2	0	0	0	108.4
727	R	24.7	Very low	26.1	Very low	254 Å²	254	134 Å²	134	96%	0.958	83%	0.827	S	S	*	*			trans	166	110.6	150.3	-94.9	174.4	-154.6	-101.4	6.1	107.8
728	G	25.4	Very low	25.6	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	83%	0.826	S	S	*	*			trans	165.1	28.6	171.1	0	0	0	0	0	118.1
729	L	26.6	Very low	25.5	Very low	157 Å²	157	135.6 Å²	135.6	82%	0.822	82%	0.822	S	S	*	*			trans	-141.9	81.5	161.5	-73.6	179.2	0	0	0	109.6	M731	L729-M731 PolarHBondContact O-N 3.36Å
730	Q	23.5	Very low	25.2	Very low	189 Å²	189	137.1 Å²	137.1	88%	0.883	82%	0.819	S	S	*	*			trans	-70	95.8	161.9	178.5	-176.4	-68.6	0	0	107.2
731	M	24.4	Very low	25.1	Very low	154 Å²	154	137.8 Å²	137.8	76%	0.759	82%	0.819	S	S	*	*			trans	-93.4	127.7	170.7	-72.3	-71.2	90.5	0	0	110	L729	L729-M731 PolarHBondContact O-N 3.36Å
732	S	25.1	Very low	24.8	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	82%	0.817	S	S	*	*			trans	-58.2	138.5	-168.3	44.5	0	0	0	0	114.7	G734	S732-G734 PolarHBondContact O-N 2.92Å; S732-G734 VanDerWaalsContact O-N 3.16Å
733	A	21.9	Very low	24.6	Very low	117 Å²	117	136.9 Å²	136.9	97%	0.967	82%	0.816	S	S	*	*			trans	-62.1	105.9	158.4	0	0	0	0	0	109.7
734	G	22.2	Very low	24.6	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	81%	0.811	S	S	*	*			trans	-132.4	124.3	170.8	0	0	0	0	0	108.5	S732	S732-G734 PolarHBondContact O-N 2.92Å; S732-G734 VanDerWaalsContact O-N 3.16Å
735	A	21.4	Very low	24.4	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	80%	0.802	S	S	*	*			trans	-49.9	149.1	-175.7	0	0	0	0	0	115
736	L	26.1	Very low	24.2	Very low	163 Å²	163	136.5 Å²	136.5	85%	0.853	81%	0.805	S	S	*	*			trans	179.8	116.4	134	-96.1	155.7	0	0	0	112.3
737	H	24.3	Very low	24.3	Very low	173 Å²	173	133.2 Å²	133.2	80%	0.801	79%	0.787	S	S	*	*			trans	44.8	123.4	145.6	-95	-99.7	0	0	0	123.4
738	D	20	Very low	24.4	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	78%	0.779	S	S	*	*			trans	-36.8	135.1	155.9	-80.6	-50.8	0	0	0	115.2
739	T	24.7	Very low	24.6	Very low	123 Å²	123	129.6 Å²	129.6	76%	0.755	78%	0.778	S	S	*	*			trans	-162	100.6	142.1	13.3	0	0	0	0	109.9
740	S	23.4	Very low	25.1	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	77%	0.768	S	S	*	*			trans	38.6	86.5	145.2	62.9	0	0	0	0	118
741	T	23.6	Very low	25.7	Very low	138 Å²	138	121.5 Å²	121.5	85%	0.847	74%	0.74	S	S	*	*			trans	-134.1	79.6	155.2	-47.3	0	0	0	0	107.9
742	C	24.1	Very low	26.3	Very low	106 Å²	106	117.1 Å²	117.1	72%	0.716	73%	0.728	S	S	*	*			trans	-98	121.1	174.1	-71.3	0	0	0	0	109.5	F744	C742-F744 HydrophobicContact CB-CD2 4.26Å; C742-F744 PolarHBondContact O-N 3.47Å
743	P	24.7	Very low	26.9	Very low	125 Å²	125	113.8 Å²	113.8	81%	0.812	71%	0.711	S	S	*	*			trans	-85.4	99	176	33.1	-28.3	0	0	0	109.6
744	F	25.5	Very low	27.9	Very low	173 Å²	173	111.6 Å²	111.6	76%	0.759	68%	0.677	S	S	*	*			trans	-121.5	56.6	167	-79.4	-76.9	0	0	0	110.1	C742	C742-F744 HydrophobicContact CB-CD2 4.26Å; C742-F744 PolarHBondContact O-N 3.47Å
745	G	24.3	Very low	28.5	Very low	67 Å²	67	112.1 Å²	112.1	69%	0.691	66%	0.658	S	S	*	*			trans	-101.1	91	167.4	0	0	0	0	0	109.4
746	N	25.3	Very low	29.4	Very low	162 Å²	162	112.2 Å²	112.2	87%	0.866	64%	0.644	S	S	*	*	S	Bend	trans	172.7	6.8	152.9	-96.4	4.3	0	0	0	115.9
747	L	28.1	Very low	30.3	Very low	94 Å²	94	107 Å²	107	49%	0.492	62%	0.619	S	S	.	*	S	Bend	trans	-91.5	-14.7	177.9	-106.4	128	0	0	0	114.7	G749 Y751	L747-G749 PolarHBondContact O-N 2.71Å; L747-Y751 HydrophobicContact CB-CE2 4.09Å; L747-Y751 HydrophobicContact CD2-CE2 3.44Å; L747-Y751 VanDerWaalsContact CD2-CE2 3.44Å; L747-Y751 WeakPolarHBondContact CD2-OH 2.98Å; L747-Y751 HydrophobicContact CG-CE2 4.35Å; L747-Y751 WeakPolarHBondContact O-CD2 3.28Å; L747-Y751 WeakPolarHBondContact O-CE2 3.39Å
748	F	27.3	Very low	31.3	Very low	180 Å²	180	100.7 Å²	100.7	79%	0.789	59%	0.591	S	S	*	*	H	α-helix	trans	-77.2	-15.9	-174.8	-81.2	-83.8	0	0	0	115.7
749	G	30.6	Very low	32.7	Very low	68 Å²	68	94.2 Å²	94.2	70%	0.701	56%	0.558	S	S	*	*	H	α-helix	trans	-74.6	-24.2	-177.5	0	0	0	0	0	115.4	L747	L747-G749 PolarHBondContact O-N 2.71Å
750	T	37.1	Very low	34.4	Very low	100 Å²	100	89.3 Å²	89.3	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-94.2	-32.7	-175.4	53.6	0	0	0	0	113.2	R754	T750-R754 WeakPolarHBondContact O-CB 3.42Å; T750-R754 PolarHBondContact O-N 3.24Å
751	Y	35.4	Very low	36.6	Very low	77 Å²	77	84.8 Å²	84.8	30%	0.302	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-43.7	-179.9	-64.4	-81.3	0	0	0	112.7	T544 E545 L747 R754 W755	T544-Y751 WeakPolarHBondContact O-CD1 3.34Å; T544-Y751 WeakPolarHBondContact O-CE1 3.46Å; E545-Y751 HydrophobicContact CB-CE1 4.36Å; L747-Y751 HydrophobicContact CB-CE2 4.09Å; L747-Y751 HydrophobicContact CD2-CE2 3.44Å; L747-Y751 VanDerWaalsContact CD2-CE2 3.44Å; L747-Y751 WeakPolarHBondContact CD2-OH 2.98Å; L747-Y751 HydrophobicContact CG-CE2 4.35Å; L747-Y751 WeakPolarHBondContact O-CD2 3.28Å; L747-Y751 WeakPolarHBondContact O-CE2 3.39Å; Y751-R754 PolarHBondContact O-N 3.08Å; Y751-W755 PolarHBondContact O-N 2.89Å
752	A	36.4	Very low	38.9	Very low	62 Å²	62	82.7 Å²	82.7	51%	0.512	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-45.6	179.3	0	0	0	0	0	110.8	R754 W755 L756	A752-R754 VanDerWaalsContact C-N 3.33Å; A752-R754 PolarHBondContact O-N 3.38Å; A752-W755 PolarHBondContact O-N 3.31Å; A752-L756 WeakPolarHBondContact O-CB 3.16Å; A752-L756 PolarHBondContact O-N 3.47Å
753	G	39.1	Very low	41.1	Very low	35 Å²	35	84.2 Å²	84.2	36%	0.361	47%	0.466	S	S	.	.	H	α-helix	trans	-58.2	-42.5	175.3	0	0	0	0	0	112.5	L756 V757	G753-L756 CarbonylContact O-C 3.51Å; G753-L756 WeakPolarHBondContact O-CA 3.29Å; G753-L756 VanDerWaalsContact O-CB 3.29Å; G753-L756 WeakPolarHBondContact O-CB 3.44Å; G753-L756 PolarHBondContact O-N 2.92Å; G753-V757 VanDerWaalsContact O-CG2 3.27Å; G753-V757 WeakPolarHBondContact O-CG2 3.33Å; G753-V757 PolarHBondContact O-N 3.21Å
754	R	42.2	Very low	43.5	Very low	71 Å²	71	81.4 Å²	81.4	27%	0.268	44%	0.443	S	S	.	.	H	α-helix	trans	-71.1	-40.3	-178.9	-161.5	-177.9	-162.4	142.3	33.4	113.4	F541 I543 T598 T750 Y751 A752 L756 V757	F541-R754 VanDerWaalsContact CA-NH2 3.26Å; F541-R754 PolarHBondContact O-NE 3.46Å; F541-R754 PolarHBondContact O-NH2 3.11Å; I543-R754 PolarHBondContact O-NH1 3.43Å; T598-R754 PolarHBondContact O-NH2 3.49Å; T750-R754 WeakPolarHBondContact O-CB 3.42Å; T750-R754 PolarHBondContact O-N 3.24Å; Y751-R754 PolarHBondContact O-N 3.08Å; A752-R754 VanDerWaalsContact C-N 3.33Å; A752-R754 PolarHBondContact O-N 3.38Å; R754-L756 PolarHBondContact O-N 3.5Å; R754-V757 PolarHBondContact O-N 3.04Å
755	W	34.8	Very low	46.3	Very low	80 Å²	80	73.2 Å²	73.2	30%	0.303	41%	0.407	S	S	.	.	H	α-helix	trans	-57.5	-42.9	167.6	-103.9	78.9	0	0	0	110.8	M566 A571 L574 Y751 A752 V757 S759	M566-W755 HydrophobicContact SD-CD2 4.17Å; M566-W755 HydrophobicContact SD-CG 4.21Å; A571-W755 WeakPolarHBondContact O-CH2 3.37Å; A571-W755 WeakPolarHBondContact O-CZ3 3.37Å; L574-W755 HydrophobicContact CD2-CZ2 4.04Å; Y751-W755 PolarHBondContact O-N 2.89Å; A752-W755 PolarHBondContact O-N 3.31Å; W755-V757 VanDerWaalsContact C-N 3.28Å; W755-V757 PolarHBondContact O-N 3.48Å; W755-S759 WeakPolarHBondContact O-CB 3.02Å; W755-S759 PolarHBondContact O-N 3.33Å; W755-S759 PolarHBondContact O-OG 3.23Å
756	L	41.4	Very low	49.1	Very low	97 Å²	97	74 Å²	74	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-31.2	177.7	-134.2	79.3	0	0	0	112	A752 G753 R754 G760	A752-L756 WeakPolarHBondContact O-CB 3.16Å; A752-L756 PolarHBondContact O-N 3.47Å; G753-L756 CarbonylContact O-C 3.51Å; G753-L756 WeakPolarHBondContact O-CA 3.29Å; G753-L756 VanDerWaalsContact O-CB 3.29Å; G753-L756 WeakPolarHBondContact O-CB 3.44Å; G753-L756 PolarHBondContact O-N 2.92Å; R754-L756 PolarHBondContact O-N 3.5Å; L756-G760 WeakPolarHBondContact O-CA 3.4Å; L756-G760 PolarHBondContact O-N 3.4Å
757	V	43.6	Very low	51.7	Low	53 Å²	53	72.6 Å²	72.6	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-69.2	-57.2	-175.8	167.8	0	0	0	0	111.6	G753 R754 W755 I761 G826	G753-V757 VanDerWaalsContact O-CG2 3.27Å; G753-V757 WeakPolarHBondContact O-CG2 3.33Å; G753-V757 PolarHBondContact O-N 3.21Å; R754-V757 PolarHBondContact O-N 3.04Å; W755-V757 VanDerWaalsContact C-N 3.28Å; W755-V757 PolarHBondContact O-N 3.48Å; V757-I761 HydrophobicContact CG1-CD1 4.46Å; V757-I761 WeakPolarHBondContact O-CD1 3.4Å; V757-I761 WeakPolarHBondContact O-CG1 3.32Å; V757-I761 PolarHBondContact O-N 2.98Å; V757-G826 WeakPolarHBondContact CG1-O 3.44Å
758	I	46.1	Very low	54.6	Low	42 Å²	42	70 Å²	70	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-81.2	-47.1	-173.7	-61.6	171	0	0	0	111.1	F541 L542 M566 G760 I761 R762	F541-I758 HydrophobicContact CD2-CD1 3.82Å; F541-I758 HydrophobicContact CE2-CD1 3.81Å; L542-I758 HydrophobicContact CD2-CD1 3.33Å; M566-I758 HydrophobicContact CE-CB 3.68Å; M566-I758 HydrophobicContact CE-CG2 3.75Å; I758-G760 PolarHBondContact O-N 3.32Å; I758-I761 PolarHBondContact O-N 3.16Å; I758-R762 PolarHBondContact O-N 3.35Å
759	S	49.8	Very low	57.6	Low	16 Å²	16	61.5 Å²	61.5	11%	0.112	33%	0.325	C	S	.	.	H	α-helix	trans	-68.1	-28.5	175.2	-56.4	0	0	0	0	111.1	M566 W755 R763	M566-S759 WeakPolarHBondContact CE-OG 3.46Å; W755-S759 WeakPolarHBondContact O-CB 3.02Å; W755-S759 PolarHBondContact O-N 3.33Å; W755-S759 PolarHBondContact O-OG 3.23Å; S759-R763 WeakPolarHBondContact O-CB 3.46Å; S759-R763 PolarHBondContact O-N 2.89Å
760	G	59.2	Low	60.7	Low	20 Å²	20	58.2 Å²	58.2	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-80.4	-27.8	176.3	0	0	0	0	0	114.1	L756 I758 R763 M764	L756-G760 WeakPolarHBondContact O-CA 3.4Å; L756-G760 PolarHBondContact O-N 3.4Å; I758-G760 PolarHBondContact O-N 3.32Å; G760-R763 PolarHBondContact O-N 2.8Å; G760-M764 WeakPolarHBondContact O-CA 3.16Å; G760-M764 WeakPolarHBondContact O-CB 3.48Å; G760-M764 PolarHBondContact O-N 3.46Å
761	I	69.4	Low	63.4	Low	15 Å²	15	53.9 Å²	53.9	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-48.9	167.4	-70.1	158	0	0	0	109.2	V757 I758 M764 L765 Y807 V824	V757-I761 HydrophobicContact CG1-CD1 4.46Å; V757-I761 WeakPolarHBondContact O-CD1 3.4Å; V757-I761 WeakPolarHBondContact O-CG1 3.32Å; V757-I761 PolarHBondContact O-N 2.98Å; I758-I761 PolarHBondContact O-N 3.16Å; I761-M764 PolarHBondContact O-N 3.34Å; I761-L765 HydrophobicContact CG2-CD1 3.86Å; I761-L765 HydrophobicContact CG2-CG 4.3Å; I761-L765 WeakPolarHBondContact O-CB 3.36Å; I761-L765 WeakPolarHBondContact O-CG 3.46Å; I761-L765 PolarHBondContact O-N 3.44Å; I761-Y807 HydrophobicContact CG2-CE2 4.11Å; I761-V824 HydrophobicContact CD1-CG1 4Å; I761-V824 HydrophobicContact CG1-CG1 4.37Å; I761-V824 HydrophobicContact CG2-CB 4.37Å; I761-V824 HydrophobicContact CG2-CG1 3.84Å
762	R	73.7	Confident	66	Low	93 Å²	93	51.9 Å²	51.9	35%	0.351	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-52.3	175.8	-170.5	-172.2	-176.3	-107.5	7.5	111.7	I758 M764 L765 E766 F771 N774	I758-R762 PolarHBondContact O-N 3.35Å; R762-M764 PolarHBondContact O-N 2.86Å; R762-L765 PolarHBondContact O-N 3.28Å; R762-L765 VanDerWaalsContact O-N 3.11Å; R762-E766 HydrophobicContact CG-CG 4.5Å; R762-E766 WeakPolarHBondContact CG-OE1 3.2Å; R762-E766 IonicContact CZ-OE1 3Å; R762-E766 IonicContact NE-OE1 3.76Å; R762-E766 PolarHBondContact NE-OE1 2.88Å; R762-E766 IonicContact NH1-OE1 2.67Å; R762-E766 PolarHBondContact NH1-OE1 3.23Å; R762-E766 IonicContact NH2-OE1 3.57Å; R762-E766 WeakPolarHBondContact O-CG 2.98Å; R762-E766 PolarHBondContact O-N 2.84Å; R762-F771 HydrophobicContact CG-CE1 4.22Å; R762-F771 HydrophobicContact CG-CZ 4.3Å; R762-N774 PolarHBondContact NH2-OD1 2.99Å
763	R	69.2	Low	68.4	Low	139 Å²	139	49.3 Å²	49.3	53%	0.525	24%	0.237	S	C	.	.	H	α-helix	trans	-60.4	-31.6	177.9	-96.5	-171.8	-102.8	174.8	-10	113.6	S759 G760	S759-R763 WeakPolarHBondContact O-CB 3.46Å; S759-R763 PolarHBondContact O-N 2.89Å; G760-R763 PolarHBondContact O-N 2.8Å
764	M	75.5	Confident	70.6	Confident	66 Å²	66	50.6 Å²	50.6	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-70.1	-46.2	175	-179.9	-164.1	74	0	0	109.9	G760 I761 R762 K767 Y768 F841	G760-M764 WeakPolarHBondContact O-CA 3.16Å; G760-M764 WeakPolarHBondContact O-CB 3.48Å; G760-M764 PolarHBondContact O-N 3.46Å; I761-M764 PolarHBondContact O-N 3.34Å; R762-M764 PolarHBondContact O-N 2.86Å; M764-K767 WeakPolarHBondContact O-CB 3.32Å; M764-K767 PolarHBondContact O-N 3.39Å; M764-Y768 WeakPolarHBondContact O-CD2 3.35Å; M764-Y768 VanDerWaalsContact O-CE2 3.27Å; M764-Y768 WeakPolarHBondContact O-CE2 3.47Å; M764-F841 HydrophobicContact CE-CE2 4.39Å
765	L	84.6	Confident	72.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-33.2	-179.9	-67.5	178.5	0	0	0	112.8	I761 R762 K767 Y768 W770 F771 Y807 V840	I761-L765 HydrophobicContact CG2-CD1 3.86Å; I761-L765 HydrophobicContact CG2-CG 4.3Å; I761-L765 WeakPolarHBondContact O-CB 3.36Å; I761-L765 WeakPolarHBondContact O-CG 3.46Å; I761-L765 PolarHBondContact O-N 3.44Å; R762-L765 PolarHBondContact O-N 3.28Å; R762-L765 VanDerWaalsContact O-N 3.11Å; L765-K767 PolarHBondContact O-N 2.89Å; L765-Y768 PolarHBondContact O-N 2.88Å; L765-W770 HydrophobicContact CD2-CH2 3.55Å; L765-W770 HydrophobicContact CD2-CZ2 4.43Å; L765-W770 HydrophobicContact CD2-CZ3 4.17Å; L765-F771 HydrophobicContact CB-CB 4.31Å; L765-F771 HydrophobicContact CB-CD1 3.74Å; L765-F771 HydrophobicContact CB-CD2 3.98Å; L765-F771 HydrophobicContact CB-CE1 3.98Å; L765-F771 HydrophobicContact CB-CE2 4.23Å; L765-F771 HydrophobicContact CB-CG 3.73Å; L765-F771 HydrophobicContact CB-CZ 4.22Å; L765-F771 HydrophobicContact CD1-CD2 4.26Å; L765-F771 HydrophobicContact CD1-CE2 4.09Å; L765-F771 HydrophobicContact CD1-CZ 4.49Å; L765-F771 WeakPolarHBondContact O-CB 3.42Å; L765-Y807 HydrophobicContact CD1-CD1 4.27Å; L765-Y807 HydrophobicContact CD1-CE1 3.84Å; L765-V840 HydrophobicContact CD2-CB 4.46Å; L765-V840 HydrophobicContact CD2-CG2 4.49Å
766	E	83	Confident	75.3	Confident	83 Å²	83	45.9 Å²	45.9	39%	0.388	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.1	175.1	-78.8	167.5	-169.9	0	0	114.6	R762 Y768 F771	R762-E766 HydrophobicContact CG-CG 4.5Å; R762-E766 WeakPolarHBondContact CG-OE1 3.2Å; R762-E766 IonicContact CZ-OE1 3Å; R762-E766 IonicContact NE-OE1 3.76Å; R762-E766 PolarHBondContact NE-OE1 2.88Å; R762-E766 IonicContact NH1-OE1 2.67Å; R762-E766 PolarHBondContact NH1-OE1 3.23Å; R762-E766 IonicContact NH2-OE1 3.57Å; R762-E766 WeakPolarHBondContact O-CG 2.98Å; R762-E766 PolarHBondContact O-N 2.84Å; E766-Y768 PolarHBondContact O-N 3.21Å; E766-F771 HydrophobicContact CG-CD1 4.13Å; E766-F771 HydrophobicContact CG-CE1 3.94Å
767	K	80.5	Confident	77.6	Confident	133 Å²	133	47.5 Å²	47.5	58%	0.578	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.1	175.1	-60.7	-179.9	-178.8	-179.1	0	112.9	M764 L765 T904 A905	M764-K767 WeakPolarHBondContact O-CB 3.32Å; M764-K767 PolarHBondContact O-N 3.39Å; L765-K767 PolarHBondContact O-N 2.89Å; K767-T904 WeakPolarHBondContact O-CA 3.24Å; K767-A905 PolarHBondContact O-N 3.33Å
768	Y	88.8	Confident	79.8	Confident	39 Å²	39	50.9 Å²	50.9	15%	0.153	24%	0.239	C	C	.	.	S	Bend	trans	-110.4	132.1	-172.1	-60.1	-85.5	0	0	0	111.5	M764 L765 E766 W770 F771 F841 T904	M764-Y768 WeakPolarHBondContact O-CD2 3.35Å; M764-Y768 VanDerWaalsContact O-CE2 3.27Å; M764-Y768 WeakPolarHBondContact O-CE2 3.47Å; L765-Y768 PolarHBondContact O-N 2.88Å; E766-Y768 PolarHBondContact O-N 3.21Å; Y768-W770 VanDerWaalsContact C-N 3.28Å; Y768-W770 HydrophobicContact CD2-CZ2 4.47Å; Y768-W770 HydrophobicContact CG-CZ2 4.08Å; Y768-W770 PolarHBondContact O-N 3.1Å; Y768-F771 PolarHBondContact O-N 3.04Å; Y768-F771 VanDerWaalsContact O-N 3.08Å; Y768-F841 AromaticContact CD1-CE1 3.79Å; Y768-F841 HydrophobicContact CD1-CE1 3.79Å; Y768-F841 AromaticContact CD2-CE1 3.91Å; Y768-F841 HydrophobicContact CD2-CE1 3.91Å; Y768-F841 AromaticContact CD2-CZ 3.97Å; Y768-F841 HydrophobicContact CD2-CZ 3.97Å; Y768-F841 HydrophobicContact CE1-CD1 4.47Å; Y768-F841 AromaticContact CE1-CE1 3.48Å; Y768-F841 HydrophobicContact CE1-CE1 3.48Å; Y768-F841 VanDerWaalsContact CE1-CE1 3.48Å; Y768-F841 AromaticContact CE1-CZ 3.97Å; Y768-F841 HydrophobicContact CE1-CZ 3.97Å; Y768-F841 AromaticContact CE2-CE1 3.62Å; Y768-F841 HydrophobicContact CE2-CE1 3.62Å; Y768-F841 AromaticContact CE2-CZ 3.35Å; Y768-F841 HydrophobicContact CE2-CZ 3.35Å; Y768-F841 AromaticContact CG-CE1 3.99Å; Y768-F841 HydrophobicContact CG-CE1 3.99Å; Y768-F841 AromaticContact CZ-CE1 3.37Å; Y768-F841 AromaticContact CZ-CZ 3.33Å; Y768-F841 WeakPolarHBondContact OH-CZ 3.38Å; Y768-T904 HydrophobicContact CE1-CG2 4.23Å
769	P	90.3	Very high	81.9	Confident	1 Å²	1	53 Å²	53	1%	0.006	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.3	-171.9	25.8	-34.4	0	0	0	113.6	F771 Y873 I875 A876 M903 L908	P769-F771 PolarHBondContact O-N 2.74Å; P769-Y873 HydrophobicContact CB-CE2 3.92Å; P769-Y873 HydrophobicContact CG-CD2 4.38Å; P769-Y873 HydrophobicContact CG-CE2 3.45Å; P769-Y873 VanDerWaalsContact CG-CE2 3.45Å; P769-I875 HydrophobicContact CB-CB 4.49Å; P769-I875 HydrophobicContact CB-CG2 3.88Å; P769-A876 VanDerWaalsContact O-CB 3.28Å; P769-A876 WeakPolarHBondContact O-CB 3.36Å; P769-A876 PolarHBondContact O-N 3.08Å; P769-M903 VanDerWaalsContact CD-O 3.24Å; P769-M903 WeakPolarHBondContact CD-O 3.24Å; P769-L908 HydrophobicContact CB-CD2 4.16Å; P769-L908 HydrophobicContact CG-CD2 4.04Å
770	W	93.8	Very high	83.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.6	176.6	50.2	-104.2	0	0	0	113.3	L765 Y768 H772 F795 V797 V840 F841 L844 Y873 V901	L765-W770 HydrophobicContact CD2-CH2 3.55Å; L765-W770 HydrophobicContact CD2-CZ2 4.43Å; L765-W770 HydrophobicContact CD2-CZ3 4.17Å; Y768-W770 VanDerWaalsContact C-N 3.28Å; Y768-W770 HydrophobicContact CD2-CZ2 4.47Å; Y768-W770 HydrophobicContact CG-CZ2 4.08Å; Y768-W770 PolarHBondContact O-N 3.1Å; W770-H772 PolarHBondContact O-CD2 3.11Å; W770-F795 HydrophobicContact CB-CE2 4.47Å; W770-V797 HydrophobicContact CE3-CB 3.63Å; W770-V797 HydrophobicContact CE3-CG2 3.58Å; W770-V797 HydrophobicContact CZ3-CB 3.64Å; W770-V797 HydrophobicContact CZ3-CG1 4.11Å; W770-V797 HydrophobicContact CZ3-CG2 3.65Å; W770-V797 PolarHBondContact O-N 2.86Å; W770-V840 HydrophobicContact CH2-CB 4.46Å; W770-V840 HydrophobicContact CH2-CG1 3.69Å; W770-V840 HydrophobicContact CZ3-CG1 4.1Å; W770-F841 HydrophobicContact CH2-CE1 4.5Å; W770-F841 AromaticContact CZ2-CD1 3.94Å; W770-F841 HydrophobicContact CZ2-CD1 3.94Å; W770-F841 AromaticContact CZ2-CE1 3.67Å; W770-F841 HydrophobicContact CZ2-CE1 3.67Å; W770-L844 HydrophobicContact CD2-CD1 3.89Å; W770-L844 HydrophobicContact CE3-CD1 4.05Å; W770-L844 HydrophobicContact CG-CD1 4.49Å; W770-L844 HydrophobicContact CH2-CD1 3.93Å; W770-L844 HydrophobicContact CZ2-CD1 3.8Å; W770-L844 HydrophobicContact CZ3-CD1 4.09Å; W770-Y873 HydrophobicContact CB-CD1 4.31Å; W770-Y873 HydrophobicContact CB-CD2 3.81Å; W770-Y873 HydrophobicContact CB-CG 3.66Å; W770-Y873 HydrophobicContact CG-CG 4.49Å; W770-V901 PolarHBondContact NE1-O 3.38Å
771	F	93.7	Very high	85.5	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.035	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-97.9	117.2	179.8	-178	-108.4	0	0	0	111.5	R762 L765 E766 Y768 P769 V797 Y807 A876	R762-F771 HydrophobicContact CG-CE1 4.22Å; R762-F771 HydrophobicContact CG-CZ 4.3Å; L765-F771 HydrophobicContact CB-CB 4.31Å; L765-F771 HydrophobicContact CB-CD1 3.74Å; L765-F771 HydrophobicContact CB-CD2 3.98Å; L765-F771 HydrophobicContact CB-CE1 3.98Å; L765-F771 HydrophobicContact CB-CE2 4.23Å; L765-F771 HydrophobicContact CB-CG 3.73Å; L765-F771 HydrophobicContact CB-CZ 4.22Å; L765-F771 HydrophobicContact CD1-CD2 4.26Å; L765-F771 HydrophobicContact CD1-CE2 4.09Å; L765-F771 HydrophobicContact CD1-CZ 4.49Å; L765-F771 WeakPolarHBondContact O-CB 3.42Å; E766-F771 HydrophobicContact CG-CD1 4.13Å; E766-F771 HydrophobicContact CG-CE1 3.94Å; Y768-F771 PolarHBondContact O-N 3.04Å; Y768-F771 VanDerWaalsContact O-N 3.08Å; P769-F771 PolarHBondContact O-N 2.74Å; F771-V797 CarbonylContact C-O 3.5Å; F771-V797 WeakPolarHBondContact CA-O 3.49Å; F771-V797 HydrophobicContact CD2-CB 4.31Å; F771-V797 HydrophobicContact CD2-CG1 4.1Å; F771-Y807 AromaticContact CE2-CD1 3.79Å; F771-Y807 HydrophobicContact CE2-CD1 3.79Å; F771-Y807 AromaticContact CE2-CE1 3.73Å; F771-Y807 HydrophobicContact CE2-CE1 3.73Å; F771-Y807 HydrophobicContact CZ-CD1 4.37Å; F771-Y807 AromaticContact CZ-CE1 3.88Å; F771-Y807 HydrophobicContact CZ-CE1 3.88Å; F771-A876 WeakPolarHBondContact O-CB 3.41Å
772	H	91.1	Very high	86.6	Confident	35 Å²	35	55.5 Å²	55.5	16%	0.162	26%	0.262	C	S	.	.			trans	-100.1	9.8	-173.2	-72.2	-120	0	0	0	113.6	W770 N774 L775 V797 V874	W770-H772 PolarHBondContact O-CD2 3.11Å; H772-N774 PolarHBondContact O-N 3.23Å; H772-L775 HydrophobicContact CB-CB 3.84Å; H772-L775 HydrophobicContact CB-CD2 3.8Å; H772-L775 HydrophobicContact CB-CG 4.39Å; H772-V797 PolarHBondContact N-O 3.49Å; H772-V874 PolarHBondContact NE2-O 2.85Å
773	G	87.1	Confident	87.4	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	59.3	-132.9	-176.5	0	0	0	0	0	112	L775 R798 Q799	G773-L775 VanDerWaalsContact C-N 3.26Å; G773-L775 PolarHBondContact O-N 3.38Å; G773-R798 CarbonylContact O-C 3.36Å; G773-R798 WeakPolarHBondContact O-CA 3.45Å; G773-Q799 WeakPolarHBondContact O-CB 3.49Å; G773-Q799 PolarHBondContact O-N 2.6Å
774	N	84.4	Confident	88.5	Confident	63 Å²	63	45.6 Å²	45.6	34%	0.337	23%	0.227	S	C	.	.	S	Bend	trans	-85.7	57.7	-177	-59.8	89	0	0	0	112.1	R762 H772 Q799	R762-N774 PolarHBondContact NH2-OD1 2.99Å; H772-N774 PolarHBondContact O-N 3.23Å; N774-Q799 VanDerWaalsContact ND2-CD 3.29Å; N774-Q799 PolarHBondContact ND2-OE1 3.2Å; N774-Q799 PolarHBondContact OD1-OE1 2.76Å
775	L	89	Confident	89.2	Confident	31 Å²	31	45.2 Å²	45.2	16%	0.162	23%	0.225	C	C	.	.			trans	-79.4	137	176.5	-171.3	66.6	0	0	0	111.3	H772 G773 D779 A780 L783 L796 R798	H772-L775 HydrophobicContact CB-CB 3.84Å; H772-L775 HydrophobicContact CB-CD2 3.8Å; H772-L775 HydrophobicContact CB-CG 4.39Å; G773-L775 VanDerWaalsContact C-N 3.26Å; G773-L775 PolarHBondContact O-N 3.38Å; L775-D779 HydrophobicContact CD1-CB 3.56Å; L775-D779 HydrophobicContact CG-CB 4.04Å; L775-A780 HydrophobicContact CD2-CB 3.71Å; L775-A780 HydrophobicContact CG-CB 4.14Å; L775-L783 HydrophobicContact CD2-CD1 3.78Å; L775-L796 HydrophobicContact CD2-CD1 4.16Å; L775-L796 HydrophobicContact CD2-CD2 4.08Å; L775-R798 HydrophobicContact CB-CB 4.06Å; L775-R798 WeakPolarHBondContact O-CD 3.31Å; L775-R798 PolarHBondContact O-NH1 2.74Å
776	S	87.2	Confident	89.2	Confident	21 Å²	21	50.1 Å²	50.1	15%	0.147	25%	0.248	C	C	.	.			trans	-68.2	156.8	180	83.7	0	0	0	0	112.3	N778 D779 A780 E801	S776-N778 PolarHBondContact O-N 3.21Å; S776-N778 PolarHBondContact OG-N 3.48Å; S776-D779 WeakPolarHBondContact CB-OD2 3.27Å; S776-D779 PolarHBondContact O-N 2.92Å; S776-D779 WeakPolarHBondContact OG-CB 3.35Å; S776-D779 PolarHBondContact OG-N 3.48Å; S776-D779 PolarHBondContact OG-OD2 2.57Å; S776-A780 WeakPolarHBondContact O-CB 3.29Å; S776-A780 PolarHBondContact O-N 3.07Å; S776-E801 VanDerWaalsContact CA-CD 3.46Å; S776-E801 VanDerWaalsContact CA-OE1 3.26Å; S776-E801 WeakPolarHBondContact CA-OE1 3.4Å; S776-E801 WeakPolarHBondContact CA-OE2 3.23Å; S776-E801 WeakPolarHBondContact CB-OE1 3.47Å
777	R	90	Very high	89.1	Confident	131 Å²	131	48.8 Å²	48.8	49%	0.494	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-41.1	174.8	-174.2	179.8	-179.5	-178.6	-4	111.7	T781 E801 H819	R777-T781 VanDerWaalsContact O-CB 3.29Å; R777-T781 WeakPolarHBondContact O-CB 3.46Å; R777-T781 PolarHBondContact O-N 2.89Å; R777-T781 PolarHBondContact O-OG1 3.02Å; R777-E801 PolarHBondContact N-OE2 2.8Å; R777-E801 VanDerWaalsContact N-OE2 3.16Å; R777-H819 PolarHBondContact NE-CD2 3.38Å; R777-H819 VanDerWaalsContact NE-CD2 3.33Å; R777-H819 PolarHBondContact NE-NE2 2.78Å
778	N	90.1	Very high	89.3	Confident	123 Å²	123	43.7 Å²	43.7	66%	0.658	23%	0.234	S	C	*	.	H	α-helix	trans	-69.7	-45.2	-176.7	-68.2	72	0	0	0	111.4	S776 T781 T782	S776-N778 PolarHBondContact O-N 3.21Å; S776-N778 PolarHBondContact OG-N 3.48Å; N778-T781 WeakPolarHBondContact O-CB 2.86Å; N778-T781 PolarHBondContact O-N 3.41Å; N778-T782 PolarHBondContact O-N 3.21Å; N778-T782 PolarHBondContact O-OG1 3.42Å
779	D	88.8	Confident	89	Confident	87 Å²	87	46.7 Å²	46.7	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-66.3	-45.8	178.3	-56.7	-34.9	0	0	0	110.4	L775 S776 T781 T782 L783	L775-D779 HydrophobicContact CD1-CB 3.56Å; L775-D779 HydrophobicContact CG-CB 4.04Å; S776-D779 WeakPolarHBondContact CB-OD2 3.27Å; S776-D779 PolarHBondContact O-N 2.92Å; S776-D779 WeakPolarHBondContact OG-CB 3.35Å; S776-D779 PolarHBondContact OG-N 3.48Å; S776-D779 PolarHBondContact OG-OD2 2.57Å; D779-T781 VanDerWaalsContact C-N 3.26Å; D779-T781 PolarHBondContact O-N 3.17Å; D779-T782 WeakPolarHBondContact O-CB 3.33Å; D779-T782 PolarHBondContact O-N 3.44Å; D779-T782 VanDerWaalsContact O-N 3.11Å; D779-L783 WeakPolarHBondContact O-CG 3.35Å; D779-L783 PolarHBondContact O-N 3.46Å
780	A	92.4	Very high	88.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-39.5	175.5	0	0	0	0	0	112.6	L775 S776 V784 L796 T810	L775-A780 HydrophobicContact CD2-CB 3.71Å; L775-A780 HydrophobicContact CG-CB 4.14Å; S776-A780 WeakPolarHBondContact O-CB 3.29Å; S776-A780 PolarHBondContact O-N 3.07Å; A780-V784 WeakPolarHBondContact O-CG2 3.1Å; A780-V784 PolarHBondContact O-N 2.93Å; A780-L796 HydrophobicContact CB-CD1 4.04Å; A780-L796 HydrophobicContact CB-CD2 4.42Å; A780-T810 HydrophobicContact CB-CG2 4.08Å
781	T	93.6	Very high	88.3	Confident	33 Å²	33	55.7 Å²	55.7	20%	0.202	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-48	175.8	-64.3	0	0	0	0	110.4	R777 N778 D779 L783 V784 I785 A817 H819	R777-T781 VanDerWaalsContact O-CB 3.29Å; R777-T781 WeakPolarHBondContact O-CB 3.46Å; R777-T781 PolarHBondContact O-N 2.89Å; R777-T781 PolarHBondContact O-OG1 3.02Å; N778-T781 WeakPolarHBondContact O-CB 2.86Å; N778-T781 PolarHBondContact O-N 3.41Å; D779-T781 VanDerWaalsContact C-N 3.26Å; D779-T781 PolarHBondContact O-N 3.17Å; T781-L783 VanDerWaalsContact C-N 3.32Å; T781-L783 PolarHBondContact O-N 2.82Å; T781-V784 WeakPolarHBondContact O-CG2 3.21Å; T781-V784 PolarHBondContact O-N 2.94Å; T781-I785 HydrophobicContact CG2-CD1 3.86Å; T781-I785 HydrophobicContact CG2-CG2 4.36Å; T781-I785 WeakPolarHBondContact O-CG1 3.43Å; T781-I785 WeakPolarHBondContact O-CG2 3.47Å; T781-I785 PolarHBondContact O-N 2.87Å; T781-I785 VanDerWaalsContact O-N 3.07Å; T781-A817 HydrophobicContact CG2-CB 3.53Å; T781-H819 PolarHBondContact OG1-CE1 3.36Å
782	T	91.2	Very high	88.1	Confident	71 Å²	71	57.6 Å²	57.6	44%	0.436	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-43.2	179.7	-54.4	0	0	0	0	111.8	N778 D779 Q786	N778-T782 PolarHBondContact O-N 3.21Å; N778-T782 PolarHBondContact O-OG1 3.42Å; D779-T782 WeakPolarHBondContact O-CB 3.33Å; D779-T782 PolarHBondContact O-N 3.44Å; D779-T782 VanDerWaalsContact O-N 3.11Å; T782-Q786 PolarHBondContact O-N 3.1Å
783	L	90.3	Very high	88.1	Confident	24 Å²	24	55.9 Å²	55.9	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-41.8	179.7	-68.9	-178.6	0	0	0	113.2	L775 D779 T781 L796 V874 N893 Y894	L775-L783 HydrophobicContact CD2-CD1 3.78Å; D779-L783 WeakPolarHBondContact O-CG 3.35Å; D779-L783 PolarHBondContact O-N 3.46Å; T781-L783 VanDerWaalsContact C-N 3.32Å; T781-L783 PolarHBondContact O-N 2.82Å; L783-L796 HydrophobicContact CB-CD2 4.06Å; L783-L796 HydrophobicContact CD1-CD2 4.04Å; L783-V874 HydrophobicContact CB-CG1 4.33Å; L783-V874 HydrophobicContact CD1-CG1 4.34Å; L783-N893 WeakPolarHBondContact CD2-O 3.09Å; L783-Y894 HydrophobicContact CD2-CD1 3.85Å; L783-Y894 HydrophobicContact CD2-CE1 3.77Å
784	V	92.1	Very high	88.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-82	-24.9	-177	-58.1	0	0	0	0	113.4	A780 T781 L796 T810 S812 A817 V874	A780-V784 WeakPolarHBondContact O-CG2 3.1Å; A780-V784 PolarHBondContact O-N 2.93Å; T781-V784 WeakPolarHBondContact O-CG2 3.21Å; T781-V784 PolarHBondContact O-N 2.94Å; V784-L796 HydrophobicContact CG1-CD2 3.89Å; V784-L796 HydrophobicContact CG1-CG 4.09Å; V784-T810 HydrophobicContact CG1-CG2 4.3Å; V784-T810 HydrophobicContact CG2-CG2 4.01Å; V784-S812 WeakPolarHBondContact O-CB 3.37Å; V784-A817 HydrophobicContact CG2-CB 3.85Å; V784-V874 HydrophobicContact CG1-CG2 4.36Å
785	I	90.4	Very high	89.1	Confident	58 Å²	58	52.9 Å²	52.9	30%	0.297	28%	0.283	S	S	.	.	H	α-helix	trans	-92.8	-5	-178.1	71.7	-173.6	0	0	0	114	T781 S787 G788 A817	T781-I785 HydrophobicContact CG2-CD1 3.86Å; T781-I785 HydrophobicContact CG2-CG2 4.36Å; T781-I785 WeakPolarHBondContact O-CG1 3.43Å; T781-I785 WeakPolarHBondContact O-CG2 3.47Å; T781-I785 PolarHBondContact O-N 2.87Å; T781-I785 VanDerWaalsContact O-N 3.07Å; I785-S787 VanDerWaalsContact C-N 3.28Å; I785-S787 PolarHBondContact O-N 3.48Å; I785-G788 WeakPolarHBondContact O-CA 3.18Å; I785-G788 PolarHBondContact O-N 3.26Å; I785-A817 HydrophobicContact CG2-CB 3.91Å
786	Q	84.5	Confident	89.5	Confident	103 Å²	103	51.4 Å²	51.4	48%	0.481	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.9	-172.2	-168.7	-160	20.4	0	0	112.8	T782 G788 Y894	T782-Q786 PolarHBondContact O-N 3.1Å; Q786-G788 PolarHBondContact O-N 3.29Å; Q786-Y894 HydrophobicContact CB-CD1 4.31Å; Q786-Y894 HydrophobicContact CB-CE1 4.37Å; Q786-Y894 VanDerWaalsContact CD-CE1 3.41Å; Q786-Y894 HydrophobicContact CG-CD1 4.18Å; Q786-Y894 HydrophobicContact CG-CE1 4.11Å; Q786-Y894 VanDerWaalsContact NE2-CD2 3.29Å; Q786-Y894 VanDerWaalsContact NE2-CG 3.28Å
787	S	82.7	Confident	89.9	Confident	55 Å²	55	50.5 Å²	50.5	39%	0.385	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	5.2	175	-48	0	0	0	0	113.4	I785 V789 E790 G791	I785-S787 VanDerWaalsContact C-N 3.28Å; I785-S787 PolarHBondContact O-N 3.48Å; S787-V789 PolarHBondContact O-N 3.07Å; S787-E790 WeakPolarHBondContact O-CB 3.36Å; S787-E790 PolarHBondContact O-N 3.35Å; S787-E790 VanDerWaalsContact O-N 3.15Å; S787-G791 PolarHBondContact O-N 2.69Å
788	G	83.4	Confident	90.1	Very high	27 Å²	27	44.9 Å²	44.9	28%	0.278	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-127.6	-178.7	0	0	0	0	0	112.5	I785 Q786 G815	I785-G788 WeakPolarHBondContact O-CA 3.18Å; I785-G788 PolarHBondContact O-N 3.26Å; Q786-G788 PolarHBondContact O-N 3.29Å; G788-G815 WeakPolarHBondContact O-CA 3.18Å
789	V	83.3	Confident	90	Very high	102 Å²	102	39.7 Å²	39.7	62%	0.618	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.1	179.4	-64.6	0	0	0	0	113.2	S787 G791 H792	S787-V789 PolarHBondContact O-N 3.07Å; V789-G791 VanDerWaalsContact C-N 3.26Å; V789-G791 PolarHBondContact O-N 2.91Å; V789-H792 WeakPolarHBondContact O-CB 3.38Å; V789-H792 PolarHBondContact O-N 3.46Å
790	E	83.6	Confident	89.7	Confident	181 Å²	181	35.9 Å²	35.9	85%	0.846	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.8	177.3	-60.5	-174.2	161.3	0	0	111.4	S787 H792	S787-E790 WeakPolarHBondContact O-CB 3.36Å; S787-E790 PolarHBondContact O-N 3.35Å; S787-E790 VanDerWaalsContact O-N 3.15Å; E790-H792 PolarHBondContact O-N 3.48Å
791	G	84.7	Confident	89	Confident	8 Å²	8	40.4 Å²	40.4	8%	0.082	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	18.8	173.4	0	0	0	0	0	114.5	S787 V789 G793 L794 S812	S787-G791 PolarHBondContact O-N 2.69Å; V789-G791 VanDerWaalsContact C-N 3.26Å; V789-G791 PolarHBondContact O-N 2.91Å; G791-G793 PolarHBondContact O-N 3.48Å; G791-L794 WeakPolarHBondContact O-CB 3.43Å; G791-L794 PolarHBondContact O-N 3.41Å; G791-S812 WeakPolarHBondContact O-CB 3.36Å; G791-S812 PolarHBondContact O-OG 3.34Å
792	H	89.3	Confident	88.1	Confident	48 Å²	48	44.8 Å²	44.8	22%	0.222	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	128.2	178.1	-175.6	104.3	0	0	0	110.7	V789 E790 L794 F814 T871	V789-H792 WeakPolarHBondContact O-CB 3.38Å; V789-H792 PolarHBondContact O-N 3.46Å; E790-H792 PolarHBondContact O-N 3.48Å; H792-L794 VanDerWaalsContact C-N 3.3Å; H792-F814 AromaticContact CE1-CE1 3.75Å; H792-F814 AromaticContact CE1-CE2 3.73Å; H792-F814 AromaticContact CE1-CZ 3.58Å; H792-F814 AromaticContact ND1-CD1 3.65Å; H792-F814 AromaticContact ND1-CE1 3.74Å; H792-F814 AromaticContact ND1-CG 3.85Å; H792-F814 PolarHBondContact ND1-N 3.23Å; H792-T871 PolarHBondContact O-OG1 3.05Å
793	G	91.5	Very high	87.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-8.3	-175.7	0	0	0	0	0	115	G791 F795 S812 L869 T871	G791-G793 PolarHBondContact O-N 3.48Å; G793-F795 PolarHBondContact O-N 2.95Å; G793-S812 PolarHBondContact N-O 2.89Å; G793-L869 WeakPolarHBondContact CA-O 3.44Å; G793-T871 WeakPolarHBondContact CA-OG1 3.44Å; G793-T871 PolarHBondContact O-N 2.9Å; G793-T871 VanDerWaalsContact O-N 3.09Å; G793-T871 PolarHBondContact O-OG1 3.2Å
794	L	95.4	Very high	86	Confident	8 Å²	8	49 Å²	49	4%	0.042	26%	0.262	C	S	.	.			trans	-62.6	130.8	176.3	-177.4	64.6	0	0	0	110.2	G791 H792 F811 S812 T871 D872 V874 T896	G791-L794 WeakPolarHBondContact O-CB 3.43Å; G791-L794 PolarHBondContact O-N 3.41Å; H792-L794 VanDerWaalsContact C-N 3.3Å; L794-F811 CarbonylContact O-C 3.55Å; L794-F811 WeakPolarHBondContact O-CA 3.43Å; L794-S812 PolarHBondContact O-N 2.94Å; L794-T871 PolarHBondContact N-OG1 3.12Å; L794-D872 WeakPolarHBondContact CA-O 3.19Å; L794-D872 HydrophobicContact CD1-CB 3.89Å; L794-D872 WeakPolarHBondContact CD1-O 3.15Å; L794-V874 HydrophobicContact CD1-CG2 3.9Å; L794-V874 HydrophobicContact CD2-CG2 3.95Å; L794-V874 HydrophobicContact CG-CG2 3.83Å; L794-T896 HydrophobicContact CD1-CG2 3.47Å; L794-T896 VanDerWaalsContact CD1-CG2 3.47Å; L794-T896 HydrophobicContact CD2-CG2 4.14Å; L794-T896 HydrophobicContact CG-CG2 4.47Å
795	F	97.3	Very high	84.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.7	-171.4	74.6	-85.5	0	0	0	115.6	W770 G793 L809 T810 F811 L844 L870 D872 Y873 V874 V901	W770-F795 HydrophobicContact CB-CE2 4.47Å; G793-F795 PolarHBondContact O-N 2.95Å; F795-L809 HydrophobicContact CB-CD1 3.99Å; F795-L809 HydrophobicContact CD2-CD1 3.63Å; F795-L809 HydrophobicContact CG-CD1 4.15Å; F795-T810 CarbonylContact C-O 3.47Å; F795-T810 VanDerWaalsContact CA-O 3.23Å; F795-T810 WeakPolarHBondContact CA-O 3.42Å; F795-T810 WeakPolarHBondContact CB-O 3.4Å; F795-F811 HydrophobicContact CB-CB 3.7Å; F795-L844 HydrophobicContact CD2-CD2 4.17Å; F795-L844 HydrophobicContact CE2-CD1 4.26Å; F795-L844 HydrophobicContact CE2-CD2 3.75Å; F795-L844 HydrophobicContact CE2-CG 4.5Å; F795-L870 HydrophobicContact CB-CD2 3.83Å; F795-L870 HydrophobicContact CD1-CB 3.74Å; F795-L870 HydrophobicContact CD1-CD1 4.19Å; F795-L870 HydrophobicContact CD1-CD2 3.91Å; F795-L870 HydrophobicContact CD1-CG 4.15Å; F795-L870 HydrophobicContact CD2-CD1 4.27Å; F795-L870 HydrophobicContact CE1-CB 3.8Å; F795-L870 HydrophobicContact CE1-CD1 4.28Å; F795-L870 HydrophobicContact CE1-CG 4.48Å; F795-L870 HydrophobicContact CE2-CD1 4.35Å; F795-L870 HydrophobicContact CG-CB 4.48Å; F795-L870 HydrophobicContact CG-CD1 4.19Å; F795-L870 HydrophobicContact CG-CD2 3.89Å; F795-L870 HydrophobicContact CG-CG 4.41Å; F795-L870 HydrophobicContact CZ-CD1 4.35Å; F795-D872 WeakPolarHBondContact CD1-O 3.38Å; F795-D872 VanDerWaalsContact CE1-O 3.31Å; F795-D872 WeakPolarHBondContact CE1-O 3.48Å; F795-D872 PolarHBondContact N-O 3.38Å; F795-Y873 HydrophobicContact CZ-CD1 4.24Å; F795-Y873 HydrophobicContact CZ-CG 4.48Å; F795-Y873 CarbonylContact O-C 3.47Å; F795-Y873 WeakPolarHBondContact O-CA 3.37Å; F795-V874 PolarHBondContact O-N 3.2Å; F795-V901 HydrophobicContact CZ-CG1 4.08Å
796	L	97.2	Very high	84.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	160.6	168.5	63.1	85.4	0	0	0	110.6	L775 A780 L783 V784 R798 T810 V874	L775-L796 HydrophobicContact CD2-CD1 4.16Å; L775-L796 HydrophobicContact CD2-CD2 4.08Å; A780-L796 HydrophobicContact CB-CD1 4.04Å; A780-L796 HydrophobicContact CB-CD2 4.42Å; L783-L796 HydrophobicContact CB-CD2 4.06Å; L783-L796 HydrophobicContact CD1-CD2 4.04Å; V784-L796 HydrophobicContact CG1-CD2 3.89Å; V784-L796 HydrophobicContact CG1-CG 4.09Å; L796-R798 HydrophobicContact CD1-CB 4.19Å; L796-R798 HydrophobicContact CD1-CG 4.48Å; L796-T810 PolarHBondContact N-O 3.32Å; L796-T810 PolarHBondContact O-N 2.95Å; L796-V874 HydrophobicContact CB-CB 4.49Å; L796-V874 HydrophobicContact CD2-CB 4.34Å; L796-V874 HydrophobicContact CD2-CG2 4.42Å
797	V	96.3	Very high	84.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136	172	-177.4	0	0	0	0	109.7	W770 F771 H772 V808 L809 M822 L844	W770-V797 HydrophobicContact CE3-CB 3.63Å; W770-V797 HydrophobicContact CE3-CG2 3.58Å; W770-V797 HydrophobicContact CZ3-CB 3.64Å; W770-V797 HydrophobicContact CZ3-CG1 4.11Å; W770-V797 HydrophobicContact CZ3-CG2 3.65Å; W770-V797 PolarHBondContact O-N 2.86Å; F771-V797 CarbonylContact C-O 3.5Å; F771-V797 WeakPolarHBondContact CA-O 3.49Å; F771-V797 HydrophobicContact CD2-CB 4.31Å; F771-V797 HydrophobicContact CD2-CG1 4.1Å; H772-V797 PolarHBondContact N-O 3.49Å; V797-V808 WeakPolarHBondContact CA-O 3.2Å; V797-L809 HydrophobicContact CG2-CD1 4.07Å; V797-M822 HydrophobicContact CG1-CE 4.14Å; V797-M822 HydrophobicContact CG1-SD 4.43Å; V797-M822 HydrophobicContact CG2-CE 4.41Å; V797-L844 HydrophobicContact CG2-CD1 4.38Å; V797-L844 HydrophobicContact CG2-CD2 4.04Å
798	R	94.1	Very high	85.4	Confident	13 Å²	13	42.3 Å²	42.3	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.8	177.8	69.9	-167.7	-172.8	84.8	2.6	111.5	G773 L775 L796 E801 Y807 V808 T810	G773-R798 CarbonylContact O-C 3.36Å; G773-R798 WeakPolarHBondContact O-CA 3.45Å; L775-R798 HydrophobicContact CB-CB 4.06Å; L775-R798 WeakPolarHBondContact O-CD 3.31Å; L775-R798 PolarHBondContact O-NH1 2.74Å; L796-R798 HydrophobicContact CD1-CB 4.19Å; L796-R798 HydrophobicContact CD1-CG 4.48Å; R798-E801 IonicContact NH1-OE2 2.69Å; R798-Y807 CarbonylContact O-C 3.58Å; R798-Y807 WeakPolarHBondContact O-CA 3.35Å; R798-V808 HydrophobicContact CG-CB 4.1Å; R798-V808 PolarHBondContact N-O 3.47Å; R798-V808 PolarHBondContact O-N 3.21Å; R798-T810 PolarHBondContact NE-OG1 3.41Å
799	Q	88.6	Confident	86	Confident	15 Å²	15	41 Å²	41	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.9	170.1	-167.5	173.7	2.3	0	0	110	G773 N774 E801 Y807	G773-Q799 WeakPolarHBondContact O-CB 3.49Å; G773-Q799 PolarHBondContact O-N 2.6Å; N774-Q799 VanDerWaalsContact ND2-CD 3.29Å; N774-Q799 PolarHBondContact ND2-OE1 3.2Å; N774-Q799 PolarHBondContact OD1-OE1 2.76Å; Q799-E801 PolarHBondContact O-N 2.88Å; Q799-Y807 HydrophobicContact CB-CD1 4.32Å; Q799-Y807 HydrophobicContact CB-CE1 4.33Å; Q799-Y807 HydrophobicContact CG-CE1 4.33Å
800	S	81.5	Confident	86.6	Confident	7 Å²	7	36.1 Å²	36.1	5%	0.049	19%	0.187	C	C	.	.			trans	-70.6	128.7	178.3	-174.3	0	0	0	0	110.9	R803 E806 R821	S800-R803 WeakPolarHBondContact CB-O 3.33Å; S800-R803 PolarHBondContact OG-N 2.78Å; S800-E806 VanDerWaalsContact CB-O 3.27Å; S800-E806 WeakPolarHBondContact CB-O 3.34Å; S800-E806 PolarHBondContact N-O 2.78Å; S800-R821 PolarHBondContact OG-NH2 3.48Å; S800-R821 VanDerWaalsContact OG-NH2 3.15Å
801	E	78.2	Confident	87.2	Confident	95 Å²	95	27.6 Å²	27.6	44%	0.444	15%	0.147	S	C	.	.	S	Bend	trans	-70.3	-39.4	177.1	-65.1	166.4	112.5	0	0	112.5	S776 R777 R798 Q799	S776-E801 VanDerWaalsContact CA-CD 3.46Å; S776-E801 VanDerWaalsContact CA-OE1 3.26Å; S776-E801 WeakPolarHBondContact CA-OE1 3.4Å; S776-E801 WeakPolarHBondContact CA-OE2 3.23Å; S776-E801 WeakPolarHBondContact CB-OE1 3.47Å; R777-E801 PolarHBondContact N-OE2 2.8Å; R777-E801 VanDerWaalsContact N-OE2 3.16Å; R798-E801 IonicContact NH1-OE2 2.69Å; Q799-E801 PolarHBondContact O-N 2.88Å
802	T	75.1	Confident	87.6	Confident	124 Å²	124	27.2 Å²	27.2	76%	0.761	14%	0.143	S	C	*	.	S	Bend	trans	-89.8	-17.6	-173.6	53.8	0	0	0	0	114.5
803	R	69.3	Low	87.7	Confident	130 Å²	130	25.4 Å²	25.4	49%	0.491	14%	0.136	S	C	.	.	S	Bend	trans	-132.3	98.2	-175.4	-82.8	179.8	153.9	-158.7	12.9	109.9	S800 G805 E806	S800-R803 WeakPolarHBondContact CB-O 3.33Å; S800-R803 PolarHBondContact OG-N 2.78Å; R803-G805 PolarHBondContact O-N 2.8Å; R803-E806 HydrophobicContact CB-CB 4.23Å; R803-E806 HydrophobicContact CB-CG 4.35Å; R803-E806 WeakPolarHBondContact CD-OE1 3.37Å; R803-E806 IonicContact CZ-OE1 2.7Å; R803-E806 IonicContact NE-OE1 2.99Å; R803-E806 IonicContact NH1-OE1 2.68Å; R803-E806 PolarHBondContact NH1-OE1 2.79Å; R803-E806 IonicContact NH1-OE2 2.89Å; R803-E806 PolarHBondContact O-N 3.16Å
804	S	68.5	Low	87.4	Confident	55 Å²	55	29.3 Å²	29.3	39%	0.385	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	129.9	176.5	52.9	0	0	0	0	111.8	E806	S804-E806 VanDerWaalsContact C-N 3.33Å
805	G	67.9	Low	86.8	Confident	24 Å²	24	30.2 Å²	30.2	25%	0.247	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-4	178.7	0	0	0	0	0	114.9	R803	R803-G805 PolarHBondContact O-N 2.8Å
806	E	82.1	Confident	86.5	Confident	34 Å²	34	36 Å²	36	16%	0.159	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.6	174.5	-65.4	-162.3	-132.1	0	0	112	S800 R803 S804 R821	S800-E806 VanDerWaalsContact CB-O 3.27Å; S800-E806 WeakPolarHBondContact CB-O 3.34Å; S800-E806 PolarHBondContact N-O 2.78Å; R803-E806 HydrophobicContact CB-CB 4.23Å; R803-E806 HydrophobicContact CB-CG 4.35Å; R803-E806 WeakPolarHBondContact CD-OE1 3.37Å; R803-E806 IonicContact CZ-OE1 2.7Å; R803-E806 IonicContact NE-OE1 2.99Å; R803-E806 IonicContact NH1-OE1 2.68Å; R803-E806 PolarHBondContact NH1-OE1 2.79Å; R803-E806 IonicContact NH1-OE2 2.89Å; R803-E806 PolarHBondContact O-N 3.16Å; S804-E806 VanDerWaalsContact C-N 3.33Å; E806-R821 VanDerWaalsContact CB-NH1 3.31Å; E806-R821 IonicContact OE1-NH1 3.92Å; E806-R821 PolarHBondContact OE1-NH1 2.7Å; E806-R821 WeakPolarHBondContact OE2-CD 3.49Å; E806-R821 WeakPolarHBondContact OE2-CG 2.93Å; E806-R821 IonicContact OE2-CZ 2.83Å; E806-R821 IonicContact OE2-NE 3.61Å; E806-R821 IonicContact OE2-NH1 2.78Å; E806-R821 PolarHBondContact OE2-NH1 2.87Å
807	Y	91	Very high	86.2	Confident	8 Å²	8	37.1 Å²	37.1	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	160.8	-179	-63.1	-90.3	0	0	0	110.2	I761 L765 F771 R798 Q799 M822 V824	I761-Y807 HydrophobicContact CG2-CE2 4.11Å; L765-Y807 HydrophobicContact CD1-CD1 4.27Å; L765-Y807 HydrophobicContact CD1-CE1 3.84Å; F771-Y807 AromaticContact CE2-CD1 3.79Å; F771-Y807 HydrophobicContact CE2-CD1 3.79Å; F771-Y807 AromaticContact CE2-CE1 3.73Å; F771-Y807 HydrophobicContact CE2-CE1 3.73Å; F771-Y807 HydrophobicContact CZ-CD1 4.37Å; F771-Y807 AromaticContact CZ-CE1 3.88Å; F771-Y807 HydrophobicContact CZ-CE1 3.88Å; R798-Y807 CarbonylContact O-C 3.58Å; R798-Y807 WeakPolarHBondContact O-CA 3.35Å; Q799-Y807 HydrophobicContact CB-CD1 4.32Å; Q799-Y807 HydrophobicContact CB-CE1 4.33Å; Q799-Y807 HydrophobicContact CG-CE1 4.33Å; Y807-M822 PolarHBondContact N-O 3.41Å; Y807-M822 PolarHBondContact O-N 3.07Å; Y807-M822 VanDerWaalsContact O-O 3.07Å; Y807-V824 HydrophobicContact CD2-CB 4Å; Y807-V824 HydrophobicContact CD2-CG2 3.55Å; Y807-V824 HydrophobicContact CE2-CB 4.03Å; Y807-V824 HydrophobicContact CE2-CG2 4Å; Y807-V824 HydrophobicContact CG-CG2 4.3Å
808	V	94.9	Very high	86.1	Confident	8 Å²	8	40.1 Å²	40.1	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123	-175.1	-174.5	0	0	0	0	109.1	V797 R798 H819 L820	V797-V808 WeakPolarHBondContact CA-O 3.2Å; R798-V808 HydrophobicContact CG-CB 4.1Å; R798-V808 PolarHBondContact N-O 3.47Å; R798-V808 PolarHBondContact O-N 3.21Å; V808-H819 HydrophobicContact CG1-CB 3.82Å; V808-L820 WeakPolarHBondContact CA-O 3.43Å
809	L	96.8	Very high	86	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.9	165	171.8	63.9	0	0	0	107.5	F795 V797 F811 H819 L820 M822 M843 L844 F847 I852 L870	F795-L809 HydrophobicContact CB-CD1 3.99Å; F795-L809 HydrophobicContact CD2-CD1 3.63Å; F795-L809 HydrophobicContact CG-CD1 4.15Å; V797-L809 HydrophobicContact CG2-CD1 4.07Å; L809-F811 HydrophobicContact CD2-CD1 4.46Å; L809-F811 HydrophobicContact CG-CD1 4.15Å; L809-H819 CarbonylContact O-C 3.38Å; L809-H819 WeakPolarHBondContact O-CA 3.5Å; L809-L820 HydrophobicContact CB-CB 4.29Å; L809-L820 HydrophobicContact CD2-CD2 4.32Å; L809-L820 PolarHBondContact N-O 2.98Å; L809-L820 PolarHBondContact O-N 3.26Å; L809-M822 HydrophobicContact CB-CE 3.52Å; L809-M843 HydrophobicContact CD2-SD 4.14Å; L809-L844 HydrophobicContact CD1-CD2 3.88Å; L809-L844 HydrophobicContact CD2-CD2 4.47Å; L809-F847 HydrophobicContact CD2-CD2 4.37Å; L809-I852 HydrophobicContact CD2-CD1 4.46Å; L809-L870 HydrophobicContact CD1-CD1 4.39Å; L809-L870 HydrophobicContact CD2-CD1 4.07Å; L809-L870 HydrophobicContact CD2-CD2 4.44Å
810	T	96.2	Very high	86.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	174.7	-59.3	0	0	0	0	108.2	A780 V784 F795 L796 R798 K818 H819	A780-T810 HydrophobicContact CB-CG2 4.08Å; V784-T810 HydrophobicContact CG1-CG2 4.3Å; V784-T810 HydrophobicContact CG2-CG2 4.01Å; F795-T810 CarbonylContact C-O 3.47Å; F795-T810 VanDerWaalsContact CA-O 3.23Å; F795-T810 WeakPolarHBondContact CA-O 3.42Å; F795-T810 WeakPolarHBondContact CB-O 3.4Å; L796-T810 PolarHBondContact N-O 3.32Å; L796-T810 PolarHBondContact O-N 2.95Å; R798-T810 PolarHBondContact NE-OG1 3.41Å; T810-K818 WeakPolarHBondContact CA-O 3.19Å; T810-H819 WeakPolarHBondContact CG2-ND1 3.34Å; T810-H819 PolarHBondContact OG1-ND1 3.22Å
811	F	95.5	Very high	86.7	Confident	2 Å²	2	46 Å²	46	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.4	-176.6	62.9	-84.1	0	0	0	111.5	L794 F795 L809 A817 K818 L820 I852 L854 V868 L870	L794-F811 CarbonylContact O-C 3.55Å; L794-F811 WeakPolarHBondContact O-CA 3.43Å; F795-F811 HydrophobicContact CB-CB 3.7Å; L809-F811 HydrophobicContact CD2-CD1 4.46Å; L809-F811 HydrophobicContact CG-CD1 4.15Å; F811-A817 WeakPolarHBondContact O-CA 3.41Å; F811-K818 HydrophobicContact CD1-CB 4.31Å; F811-K818 HydrophobicContact CD2-CB 4.18Å; F811-K818 HydrophobicContact CE1-CB 3.84Å; F811-K818 HydrophobicContact CE2-CB 3.71Å; F811-K818 HydrophobicContact CE2-CG 4.2Å; F811-K818 HydrophobicContact CG-CB 4.48Å; F811-K818 HydrophobicContact CZ-CB 3.53Å; F811-K818 HydrophobicContact CZ-CG 4.34Å; F811-K818 PolarHBondContact N-O 2.85Å; F811-K818 PolarHBondContact O-N 2.88Å; F811-L820 HydrophobicContact CE1-CB 4.1Å; F811-I852 HydrophobicContact CD1-CD1 4.31Å; F811-I852 HydrophobicContact CD2-CD1 4.46Å; F811-I852 HydrophobicContact CE1-CD1 3.97Å; F811-I852 HydrophobicContact CE2-CD1 4.12Å; F811-I852 HydrophobicContact CZ-CD1 3.85Å; F811-I852 HydrophobicContact CZ-CG2 4.01Å; F811-L854 HydrophobicContact CE2-CD1 4.27Å; F811-L854 HydrophobicContact CE2-CD2 4.39Å; F811-L854 HydrophobicContact CZ-CD2 4.06Å; F811-V868 HydrophobicContact CD2-CB 4.31Å; F811-V868 HydrophobicContact CD2-CG1 3.86Å; F811-V868 HydrophobicContact CE2-CB 4Å; F811-V868 HydrophobicContact CE2-CG1 4.07Å; F811-V868 HydrophobicContact CE2-CG2 4.18Å; F811-L870 HydrophobicContact CB-CD2 4.02Å; F811-L870 HydrophobicContact CG-CD2 4.35Å
812	S	93.1	Very high	87.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.4	177.6	179.5	0	0	0	0	111.6	V784 G791 G793 L794	V784-S812 WeakPolarHBondContact O-CB 3.37Å; G791-S812 WeakPolarHBondContact O-CB 3.36Å; G791-S812 PolarHBondContact O-OG 3.34Å; G793-S812 PolarHBondContact N-O 2.89Å; L794-S812 PolarHBondContact O-N 2.94Å
813	C	90.5	Very high	87.5	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	108.3	177.1	178	0	0	0	0	108.1	G815 R816 K818 L854 V868	C813-G815 VanDerWaalsContact C-N 3.28Å; C813-G815 PolarHBondContact O-N 2.82Å; C813-R816 PolarHBondContact N-O 3.19Å; C813-R816 WeakPolarHBondContact O-CA 3.5Å; C813-R816 WeakPolarHBondContact O-CB 3.47Å; C813-R816 PolarHBondContact O-N 3.09Å; C813-K818 HydrophobicContact CB-CG 3.91Å; C813-L854 HydrophobicContact CB-CD1 3.92Å; C813-L854 WeakPolarHBondContact SG-CD1 3.41Å; C813-V868 HydrophobicContact CB-CG2 3.69Å; C813-V868 WeakPolarHBondContact SG-CG2 3.33Å
814	F	85.4	Confident	88	Confident	82 Å²	82	32.6 Å²	32.6	36%	0.36	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	46.3	-179.6	-54.4	-69.1	0	0	0	112.9	H792 R816	H792-F814 AromaticContact CE1-CE1 3.75Å; H792-F814 AromaticContact CE1-CE2 3.73Å; H792-F814 AromaticContact CE1-CZ 3.58Å; H792-F814 AromaticContact ND1-CD1 3.65Å; H792-F814 AromaticContact ND1-CE1 3.74Å; H792-F814 AromaticContact ND1-CG 3.85Å; H792-F814 PolarHBondContact ND1-N 3.23Å; F814-R816 PolarHBondContact O-N 3.48Å
815	G	84.2	Confident	88.2	Confident	27 Å²	27	32.6 Å²	32.6	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.5	-178.4	0	0	0	0	0	115	G788 C813	G788-G815 WeakPolarHBondContact O-CA 3.18Å; C813-G815 VanDerWaalsContact C-N 3.28Å; C813-G815 PolarHBondContact O-N 2.82Å
816	R	89.2	Confident	87.7	Confident	122 Å²	122	33.7 Å²	33.7	46%	0.46	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.1	178.2	-54.7	-177.7	69.1	158.8	5.7	110.3	C813 F814 E860	C813-R816 PolarHBondContact N-O 3.19Å; C813-R816 WeakPolarHBondContact O-CA 3.5Å; C813-R816 WeakPolarHBondContact O-CB 3.47Å; C813-R816 PolarHBondContact O-N 3.09Å; F814-R816 PolarHBondContact O-N 3.48Å; R816-E860 IonicContact NH1-OE1 3.78Å; R816-E860 PolarHBondContact NH1-OE1 3.15Å
817	A	92.1	Very high	86.6	Confident	23 Å²	23	39.5 Å²	39.5	19%	0.19	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.4	172.5	0	0	0	0	0	111.4	T781 V784 I785 F811	T781-A817 HydrophobicContact CG2-CB 3.53Å; V784-A817 HydrophobicContact CG2-CB 3.85Å; I785-A817 HydrophobicContact CG2-CB 3.91Å; F811-A817 WeakPolarHBondContact O-CA 3.41Å
818	K	93	Very high	85.4	Confident	65 Å²	65	40 Å²	40	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.9	171	-63.4	-65.6	-175.6	172.3	0	108.8	T810 F811 C813 L854	T810-K818 WeakPolarHBondContact CA-O 3.19Å; F811-K818 HydrophobicContact CD1-CB 4.31Å; F811-K818 HydrophobicContact CD2-CB 4.18Å; F811-K818 HydrophobicContact CE1-CB 3.84Å; F811-K818 HydrophobicContact CE2-CB 3.71Å; F811-K818 HydrophobicContact CE2-CG 4.2Å; F811-K818 HydrophobicContact CG-CB 4.48Å; F811-K818 HydrophobicContact CZ-CB 3.53Å; F811-K818 HydrophobicContact CZ-CG 4.34Å; F811-K818 PolarHBondContact N-O 2.85Å; F811-K818 PolarHBondContact O-N 2.88Å; C813-K818 HydrophobicContact CB-CG 3.91Å; K818-L854 HydrophobicContact CG-CD1 4.39Å; K818-L854 HydrophobicContact CG-CD2 4.32Å
819	H	93.3	Very high	84.4	Confident	56 Å²	56	41.8 Å²	41.8	26%	0.259	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.4	-178.2	-50.1	-73.2	0	0	0	109.7	R777 T781 V808 L809 T810	R777-H819 PolarHBondContact NE-CD2 3.38Å; R777-H819 VanDerWaalsContact NE-CD2 3.33Å; R777-H819 PolarHBondContact NE-NE2 2.78Å; T781-H819 PolarHBondContact OG1-CE1 3.36Å; V808-H819 HydrophobicContact CG1-CB 3.82Å; L809-H819 CarbonylContact O-C 3.38Å; L809-H819 WeakPolarHBondContact O-CA 3.5Å; T810-H819 WeakPolarHBondContact CG2-ND1 3.34Å; T810-H819 PolarHBondContact OG1-ND1 3.22Å
820	L	92.7	Very high	83.8	Confident	15 Å²	15	41.8 Å²	41.8	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.3	176.9	-175.2	59.2	0	0	0	109.1	V808 L809 F811 V832 Q833 F847 I852	V808-L820 WeakPolarHBondContact CA-O 3.43Å; L809-L820 HydrophobicContact CB-CB 4.29Å; L809-L820 HydrophobicContact CD2-CD2 4.32Å; L809-L820 PolarHBondContact N-O 2.98Å; L809-L820 PolarHBondContact O-N 3.26Å; F811-L820 HydrophobicContact CE1-CB 4.1Å; L820-V832 HydrophobicContact CD1-CG1 3.62Å; L820-V832 HydrophobicContact CD2-CG1 3.52Å; L820-V832 HydrophobicContact CG-CG1 3.44Å; L820-V832 VanDerWaalsContact CG-CG1 3.44Å; L820-Q833 HydrophobicContact CD1-CG 4.3Å; L820-F847 HydrophobicContact CD2-CE2 3.87Å; L820-F847 HydrophobicContact CD2-CZ 4.06Å; L820-I852 HydrophobicContact CD2-CG2 4.41Å
821	R	90.9	Very high	83.2	Confident	86 Å²	86	46.9 Å²	46.9	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.5	-178.4	-179.2	175.8	-86.8	-74.9	-3.2	109.9	S800 E806	S800-R821 PolarHBondContact OG-NH2 3.48Å; S800-R821 VanDerWaalsContact OG-NH2 3.15Å; E806-R821 VanDerWaalsContact CB-NH1 3.31Å; E806-R821 IonicContact OE1-NH1 3.92Å; E806-R821 PolarHBondContact OE1-NH1 2.7Å; E806-R821 WeakPolarHBondContact OE2-CD 3.49Å; E806-R821 WeakPolarHBondContact OE2-CG 2.93Å; E806-R821 IonicContact OE2-CZ 2.83Å; E806-R821 IonicContact OE2-NE 3.61Å; E806-R821 IonicContact OE2-NH1 2.78Å; E806-R821 PolarHBondContact OE2-NH1 2.87Å
822	M	88.2	Confident	82.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.2	176.9	77.3	-175.2	72.7	0	0	111.5	V797 Y807 L809 V824 R831 V832 V840 M843	V797-M822 HydrophobicContact CG1-CE 4.14Å; V797-M822 HydrophobicContact CG1-SD 4.43Å; V797-M822 HydrophobicContact CG2-CE 4.41Å; Y807-M822 PolarHBondContact N-O 3.41Å; Y807-M822 PolarHBondContact O-N 3.07Å; Y807-M822 VanDerWaalsContact O-O 3.07Å; L809-M822 HydrophobicContact CB-CE 3.52Å; M822-V824 HydrophobicContact CG-CG2 4.44Å; M822-V824 HydrophobicContact SD-CG2 4.48Å; M822-R831 WeakPolarHBondContact CA-O 3.42Å; M822-V832 HydrophobicContact CB-CG2 3.66Å; M822-V840 HydrophobicContact SD-CG1 4.22Å; M822-V840 HydrophobicContact SD-CG2 4.48Å; M822-M843 HydrophobicContact CE-CE 3.31Å; M822-M843 HydrophobicContact CE-SD 4.48Å; M822-M843 HydrophobicContact SD-CE 3.66Å
823	T	83.4	Confident	82.4	Confident	54 Å²	54	52.9 Å²	52.9	33%	0.331	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.7	172.7	-53.2	0	0	0	0	108.5	L825 R831	T823-L825 HydrophobicContact CG2-CD2 4.4Å; T823-R831 PolarHBondContact N-O 2.98Å; T823-R831 PolarHBondContact O-N 3.38Å
824	V	79.6	Confident	81.7	Confident	14 Å²	14	59.2 Å²	59.2	9%	0.085	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.5	175.4	-173.1	0	0	0	0	108.2	I761 Y807 M822 Q829 V840	I761-V824 HydrophobicContact CD1-CG1 4Å; I761-V824 HydrophobicContact CG1-CG1 4.37Å; I761-V824 HydrophobicContact CG2-CB 4.37Å; I761-V824 HydrophobicContact CG2-CG1 3.84Å; Y807-V824 HydrophobicContact CD2-CB 4Å; Y807-V824 HydrophobicContact CD2-CG2 3.55Å; Y807-V824 HydrophobicContact CE2-CB 4.03Å; Y807-V824 HydrophobicContact CE2-CG2 4Å; Y807-V824 HydrophobicContact CG-CG2 4.3Å; M822-V824 HydrophobicContact CG-CG2 4.44Å; M822-V824 HydrophobicContact SD-CG2 4.48Å; V824-Q829 WeakPolarHBondContact CA-O 3.31Å; V824-V840 HydrophobicContact CG1-CG2 4.31Å; V824-V840 HydrophobicContact CG2-CG2 3.63Å
825	L	72.4	Confident	81.8	Confident	54 Å²	54	57.8 Å²	57.8	28%	0.283	29%	0.285	S	S	.	.			trans	-80.2	160.9	-179.9	-62.8	175.3	0	0	0	110.6	T823 R827 G828 Q829 W836	T823-L825 HydrophobicContact CG2-CD2 4.4Å; L825-R827 PolarHBondContact O-N 3.39Å; L825-G828 PolarHBondContact O-N 3.33Å; L825-Q829 PolarHBondContact N-O 2.86Å; L825-W836 HydrophobicContact CD1-CH2 4.37Å; L825-W836 HydrophobicContact CD1-CZ3 3.72Å
826	G	56.3	Low	81.9	Confident	47 Å²	47	63.5 Å²	63.5	49%	0.485	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.6	-172.6	0	0	0	0	0	116.6	V757	V757-G826 WeakPolarHBondContact CG1-O 3.44Å
827	R	60.4	Low	81.8	Confident	156 Å²	156	58.7 Å²	58.7	59%	0.589	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	5.2	174.2	63.8	177.9	172.3	-79.6	-1.9	114.3	L825 Q829	L825-R827 PolarHBondContact O-N 3.39Å; R827-Q829 HydrophobicContact CG-CB 4.16Å; R827-Q829 HydrophobicContact CG-CG 3.94Å
828	G	65.7	Low	81.2	Confident	18 Å²	18	63.1 Å²	63.1	19%	0.186	30%	0.302	C	S	.	.	S	Bend	trans	91.6	-11.3	-177.1	0	0	0	0	0	115.2	L825 C830 S839	L825-G828 PolarHBondContact O-N 3.33Å; G828-C830 PolarHBondContact O-N 2.84Å; G828-S839 WeakPolarHBondContact O-CA 3.28Å
829	Q	74.2	Confident	80.6	Confident	46 Å²	46	61 Å²	61	22%	0.215	30%	0.295	C	S	.	.			trans	-62.1	134.1	177.9	-76	-166.6	-17.4	0	0	112.3	V824 L825 R827 F837 D838	V824-Q829 WeakPolarHBondContact CA-O 3.31Å; L825-Q829 PolarHBondContact N-O 2.86Å; R827-Q829 HydrophobicContact CG-CB 4.16Å; R827-Q829 HydrophobicContact CG-CG 3.94Å; Q829-F837 WeakPolarHBondContact CA-O 3.23Å; Q829-D838 WeakPolarHBondContact CA-O 3.33Å; Q829-D838 PolarHBondContact NE2-OD1 2.99Å
830	C	84.3	Confident	80.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.6	-177	-177.6	0	0	0	0	109.8	G828 F837 V840	G828-C830 PolarHBondContact O-N 2.84Å; C830-F837 HydrophobicContact CB-CB 4.29Å; C830-F837 PolarHBondContact N-O 2.9Å; C830-F837 PolarHBondContact O-N 3.47Å; C830-V840 HydrophobicContact CB-CG2 4.09Å
831	R	83.3	Confident	80.3	Confident	107 Å²	107	58.4 Å²	58.4	40%	0.404	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.7	173.4	-175.5	-169.4	169.5	-168.4	-2.8	110	M822 T823 Q833 L835 W836	M822-R831 WeakPolarHBondContact CA-O 3.42Å; T823-R831 PolarHBondContact N-O 2.98Å; T823-R831 PolarHBondContact O-N 3.38Å; R831-Q833 PolarHBondContact NE-O 3.44Å; R831-Q833 PolarHBondContact NH2-O 2.95Å; R831-L835 WeakPolarHBondContact CA-O 3.36Å; R831-W836 HydrophobicContact CB-CD2 4.35Å; R831-W836 HydrophobicContact CB-CE3 4.18Å; R831-W836 HydrophobicContact CB-CZ3 4.32Å; R831-W836 HydrophobicContact CG-CD2 4.06Å; R831-W836 HydrophobicContact CG-CE3 4.36Å; R831-W836 HydrophobicContact CG-CH2 4.46Å; R831-W836 HydrophobicContact CG-CZ2 4.16Å
832	V	88.2	Confident	80.2	Confident	2 Å²	2	57 Å²	57	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	109.5	175.9	-175.1	0	0	0	0	108.5	L820 M822 H834 L835 F837 M843 F847	L820-V832 HydrophobicContact CD1-CG1 3.62Å; L820-V832 HydrophobicContact CD2-CG1 3.52Å; L820-V832 HydrophobicContact CG-CG1 3.44Å; L820-V832 VanDerWaalsContact CG-CG1 3.44Å; M822-V832 HydrophobicContact CB-CG2 3.66Å; V832-H834 PolarHBondContact O-N 3.26Å; V832-L835 PolarHBondContact N-O 3.28Å; V832-L835 WeakPolarHBondContact O-CB 3.37Å; V832-L835 PolarHBondContact O-N 3.49Å; V832-F837 HydrophobicContact CB-CE2 4.26Å; V832-F837 HydrophobicContact CG2-CD2 4.46Å; V832-F837 HydrophobicContact CG2-CE2 4.2Å; V832-M843 HydrophobicContact CG2-CG 3.77Å; V832-M843 HydrophobicContact CG2-SD 4.36Å; V832-F847 HydrophobicContact CG1-CE2 4.5Å
833	Q	84	Confident	80.5	Confident	126 Å²	126	57 Å²	57	59%	0.589	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-111	-174.5	-54.5	178.1	6.6	0	0	112.3	L820 R831	L820-Q833 HydrophobicContact CD1-CG 4.3Å; R831-Q833 PolarHBondContact NE-O 3.44Å; R831-Q833 PolarHBondContact NH2-O 2.95Å
834	H	75.8	Confident	81.1	Confident	143 Å²	143	54.4 Å²	54.4	66%	0.662	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.9	176.4	61.3	-87.4	0	0	0	113.3	V832	V832-H834 PolarHBondContact O-N 3.26Å
835	L	85.8	Confident	81.6	Confident	52 Å²	52	57.7 Å²	57.7	27%	0.272	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.2	179.4	-59.1	175.4	0	0	0	111.2	R831 V832 F837 F847	R831-L835 WeakPolarHBondContact CA-O 3.36Å; V832-L835 PolarHBondContact N-O 3.28Å; V832-L835 WeakPolarHBondContact O-CB 3.37Å; V832-L835 PolarHBondContact O-N 3.49Å; L835-F837 HydrophobicContact CB-CE2 3.6Å; L835-F837 HydrophobicContact CB-CZ 3.73Å; L835-F837 HydrophobicContact CD1-CE2 4.46Å; L835-F837 HydrophobicContact CD1-CZ 3.99Å; L835-F837 HydrophobicContact CG-CZ 4.46Å; L835-F847 HydrophobicContact CD1-CE1 4.02Å; L835-F847 HydrophobicContact CD1-CZ 3.89Å
836	W	86.7	Confident	82.5	Confident	146 Å²	146	57.5 Å²	57.5	55%	0.553	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.8	178.6	-69.9	82.5	0	0	0	109.4	L825 R831	L825-W836 HydrophobicContact CD1-CH2 4.37Å; L825-W836 HydrophobicContact CD1-CZ3 3.72Å; R831-W836 HydrophobicContact CB-CD2 4.35Å; R831-W836 HydrophobicContact CB-CE3 4.18Å; R831-W836 HydrophobicContact CB-CZ3 4.32Å; R831-W836 HydrophobicContact CG-CD2 4.06Å; R831-W836 HydrophobicContact CG-CE3 4.36Å; R831-W836 HydrophobicContact CG-CH2 4.46Å; R831-W836 HydrophobicContact CG-CZ2 4.16Å
837	F	86.9	Confident	84.3	Confident	21 Å²	21	55.5 Å²	55.5	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.2	-179.5	-54.7	-81.2	0	0	0	109.3	Q829 C830 V832 L835 S839 D842 M843 H846 F847	Q829-F837 WeakPolarHBondContact CA-O 3.23Å; C830-F837 HydrophobicContact CB-CB 4.29Å; C830-F837 PolarHBondContact N-O 2.9Å; C830-F837 PolarHBondContact O-N 3.47Å; V832-F837 HydrophobicContact CB-CE2 4.26Å; V832-F837 HydrophobicContact CG2-CD2 4.46Å; V832-F837 HydrophobicContact CG2-CE2 4.2Å; L835-F837 HydrophobicContact CB-CE2 3.6Å; L835-F837 HydrophobicContact CB-CZ 3.73Å; L835-F837 HydrophobicContact CD1-CE2 4.46Å; L835-F837 HydrophobicContact CD1-CZ 3.99Å; L835-F837 HydrophobicContact CG-CZ 4.46Å; F837-S839 WeakPolarHBondContact CB-O 3.42Å; F837-S839 PolarHBondContact O-N 3.01Å; F837-D842 HydrophobicContact CB-CB 4.5Å; F837-M843 HydrophobicContact CB-CB 3.98Å; F837-M843 HydrophobicContact CD1-CB 4.1Å; F837-M843 HydrophobicContact CD2-CB 3.45Å; F837-M843 VanDerWaalsContact CD2-CB 3.45Å; F837-M843 HydrophobicContact CD2-CG 3.52Å; F837-M843 HydrophobicContact CE1-CB 4.47Å; F837-M843 HydrophobicContact CE2-CB 3.86Å; F837-M843 HydrophobicContact CE2-CG 3.47Å; F837-M843 VanDerWaalsContact CE2-CG 3.47Å; F837-M843 HydrophobicContact CG-CB 3.57Å; F837-M843 HydrophobicContact CG-CG 4.15Å; F837-M843 HydrophobicContact CZ-CB 4.34Å; F837-M843 HydrophobicContact CZ-CG 4.09Å; F837-H846 HydrophobicContact CD1-CB 4.3Å; F837-H846 HydrophobicContact CE1-CB 3.58Å; F837-H846 AromaticContact CE1-CD2 3.93Å; F837-H846 AromaticContact CE1-CG 3.51Å; F837-H846 AromaticContact CE1-ND1 3.83Å; F837-H846 HydrophobicContact CZ-CB 4.28Å; F837-H846 AromaticContact CZ-ND1 3.82Å; F837-F847 HydrophobicContact CE2-CE2 4.39Å; F837-F847 HydrophobicContact CE2-CZ 4.48Å; F837-F847 HydrophobicContact CZ-CE2 4.32Å; F837-F847 HydrophobicContact CZ-CZ 4.22Å
838	D	80.1	Confident	85.8	Confident	117 Å²	117	49.9 Å²	49.9	63%	0.626	23%	0.234	S	C	*	.	S	Bend	trans	-65.9	-27.2	178.1	-70.6	-45.5	0	0	0	112.3	Q829	Q829-D838 WeakPolarHBondContact CA-O 3.33Å; Q829-D838 PolarHBondContact NE2-OD1 2.99Å
839	S	81.4	Confident	86.9	Confident	20 Å²	20	53.3 Å²	53.3	14%	0.14	25%	0.252	C	S	.	.	S	Bend	trans	-150.7	168.7	173.9	73.9	0	0	0	0	113.2	G828 F837 F841 D842 M843	G828-S839 WeakPolarHBondContact O-CA 3.28Å; F837-S839 WeakPolarHBondContact CB-O 3.42Å; F837-S839 PolarHBondContact O-N 3.01Å; S839-F841 PolarHBondContact O-N 2.98Å; S839-F841 PolarHBondContact OG-N 3.47Å; S839-D842 WeakPolarHBondContact CB-OD2 3.43Å; S839-D842 PolarHBondContact N-OD2 2.9Å; S839-D842 PolarHBondContact O-N 2.87Å; S839-D842 PolarHBondContact OG-N 3.01Å; S839-D842 PolarHBondContact OG-OD2 2.79Å; S839-M843 PolarHBondContact O-N 2.68Å
840	V	88.9	Confident	87.5	Confident	3 Å²	3	56 Å²	56	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-33.4	169.9	-178.4	0	0	0	0	110.9	L765 W770 M822 V824 C830 M843 L844	L765-V840 HydrophobicContact CD2-CB 4.46Å; L765-V840 HydrophobicContact CD2-CG2 4.49Å; W770-V840 HydrophobicContact CH2-CB 4.46Å; W770-V840 HydrophobicContact CH2-CG1 3.69Å; W770-V840 HydrophobicContact CZ3-CG1 4.1Å; M822-V840 HydrophobicContact SD-CG1 4.22Å; M822-V840 HydrophobicContact SD-CG2 4.48Å; V824-V840 HydrophobicContact CG1-CG2 4.31Å; V824-V840 HydrophobicContact CG2-CG2 3.63Å; C830-V840 HydrophobicContact CB-CG2 4.09Å; V840-M843 HydrophobicContact CG1-CE 3.94Å; V840-M843 WeakPolarHBondContact O-CB 3.44Å; V840-M843 PolarHBondContact O-N 3.26Å; V840-L844 HydrophobicContact CG1-CD1 4.34Å; V840-L844 HydrophobicContact CG1-CG 4.45Å; V840-L844 WeakPolarHBondContact O-CG 3.13Å; V840-L844 PolarHBondContact O-N 3.38Å
841	F	90	Very high	87.6	Confident	14 Å²	14	61 Å²	61	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-44.6	178.3	-51.5	-77.8	0	0	0	111.6	M764 Y768 W770 S839 M843 L844 E845 R902	M764-F841 HydrophobicContact CE-CE2 4.39Å; Y768-F841 AromaticContact CD1-CE1 3.79Å; Y768-F841 HydrophobicContact CD1-CE1 3.79Å; Y768-F841 AromaticContact CD2-CE1 3.91Å; Y768-F841 HydrophobicContact CD2-CE1 3.91Å; Y768-F841 AromaticContact CD2-CZ 3.97Å; Y768-F841 HydrophobicContact CD2-CZ 3.97Å; Y768-F841 HydrophobicContact CE1-CD1 4.47Å; Y768-F841 AromaticContact CE1-CE1 3.48Å; Y768-F841 HydrophobicContact CE1-CE1 3.48Å; Y768-F841 VanDerWaalsContact CE1-CE1 3.48Å; Y768-F841 AromaticContact CE1-CZ 3.97Å; Y768-F841 HydrophobicContact CE1-CZ 3.97Å; Y768-F841 AromaticContact CE2-CE1 3.62Å; Y768-F841 HydrophobicContact CE2-CE1 3.62Å; Y768-F841 AromaticContact CE2-CZ 3.35Å; Y768-F841 HydrophobicContact CE2-CZ 3.35Å; Y768-F841 AromaticContact CG-CE1 3.99Å; Y768-F841 HydrophobicContact CG-CE1 3.99Å; Y768-F841 AromaticContact CZ-CE1 3.37Å; Y768-F841 AromaticContact CZ-CZ 3.33Å; Y768-F841 WeakPolarHBondContact OH-CZ 3.38Å; W770-F841 HydrophobicContact CH2-CE1 4.5Å; W770-F841 AromaticContact CZ2-CD1 3.94Å; W770-F841 HydrophobicContact CZ2-CD1 3.94Å; W770-F841 AromaticContact CZ2-CE1 3.67Å; W770-F841 HydrophobicContact CZ2-CE1 3.67Å; S839-F841 PolarHBondContact O-N 2.98Å; S839-F841 PolarHBondContact OG-N 3.47Å; F841-M843 VanDerWaalsContact C-N 3.29Å; F841-M843 PolarHBondContact O-N 2.92Å; F841-L844 PolarHBondContact O-N 2.82Å; F841-E845 WeakPolarHBondContact O-CB 2.99Å; F841-E845 PolarHBondContact O-N 3.34Å; F841-R902 HydrophobicContact CB-CG 4.31Å; F841-R902 HydrophobicContact CD1-CG 4.12Å; F841-R902 HydrophobicContact CG-CG 4.37Å
842	D	89.1	Confident	87.7	Confident	56 Å²	56	56.3 Å²	56.3	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-32.8	-179.2	-51.4	-45.4	0	0	0	111	F837 S839 H846 R902	F837-D842 HydrophobicContact CB-CB 4.5Å; S839-D842 WeakPolarHBondContact CB-OD2 3.43Å; S839-D842 PolarHBondContact N-OD2 2.9Å; S839-D842 PolarHBondContact O-N 2.87Å; S839-D842 PolarHBondContact OG-N 3.01Å; S839-D842 PolarHBondContact OG-OD2 2.79Å; D842-H846 WeakPolarHBondContact O-CB 3.49Å; D842-H846 PolarHBondContact O-N 2.92Å; D842-R902 IonicContact OD1-NH2 3.83Å; D842-R902 PolarHBondContact OD1-NH2 2.83Å
843	M	94.4	Very high	87	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-46.5	171.2	-179.4	-83.8	-59.6	0	0	112.2	L809 M822 V832 F837 S839 V840 F841 H846 F847	L809-M843 HydrophobicContact CD2-SD 4.14Å; M822-M843 HydrophobicContact CE-CE 3.31Å; M822-M843 HydrophobicContact CE-SD 4.48Å; M822-M843 HydrophobicContact SD-CE 3.66Å; V832-M843 HydrophobicContact CG2-CG 3.77Å; V832-M843 HydrophobicContact CG2-SD 4.36Å; F837-M843 HydrophobicContact CB-CB 3.98Å; F837-M843 HydrophobicContact CD1-CB 4.1Å; F837-M843 HydrophobicContact CD2-CB 3.45Å; F837-M843 VanDerWaalsContact CD2-CB 3.45Å; F837-M843 HydrophobicContact CD2-CG 3.52Å; F837-M843 HydrophobicContact CE1-CB 4.47Å; F837-M843 HydrophobicContact CE2-CB 3.86Å; F837-M843 HydrophobicContact CE2-CG 3.47Å; F837-M843 VanDerWaalsContact CE2-CG 3.47Å; F837-M843 HydrophobicContact CG-CB 3.57Å; F837-M843 HydrophobicContact CG-CG 4.15Å; F837-M843 HydrophobicContact CZ-CB 4.34Å; F837-M843 HydrophobicContact CZ-CG 4.09Å; S839-M843 PolarHBondContact O-N 2.68Å; V840-M843 HydrophobicContact CG1-CE 3.94Å; V840-M843 WeakPolarHBondContact O-CB 3.44Å; V840-M843 PolarHBondContact O-N 3.26Å; F841-M843 VanDerWaalsContact C-N 3.29Å; F841-M843 PolarHBondContact O-N 2.92Å; M843-H846 PolarHBondContact O-N 3.28Å; M843-F847 HydrophobicContact CG-CD2 4Å; M843-F847 HydrophobicContact CG-CE2 3.72Å; M843-F847 VanDerWaalsContact O-CD2 3.25Å; M843-F847 WeakPolarHBondContact O-CD2 3.41Å; M843-F847 PolarHBondContact O-N 2.9Å; M843-F847 VanDerWaalsContact O-N 3.09Å; M843-F847 HydrophobicContact SD-CD2 3.44Å; M843-F847 WeakPolarHBondContact SD-CD2 2.86Å; M843-F847 HydrophobicContact SD-CE2 3.54Å; M843-F847 VanDerWaalsContact SD-CE2 3.54Å
844	L	95.5	Very high	86.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-44.5	178.1	-67.8	176	0	0	0	111.1	W770 F795 V797 L809 V840 F841 F847 R848 L870 V901	W770-L844 HydrophobicContact CD2-CD1 3.89Å; W770-L844 HydrophobicContact CE3-CD1 4.05Å; W770-L844 HydrophobicContact CG-CD1 4.49Å; W770-L844 HydrophobicContact CH2-CD1 3.93Å; W770-L844 HydrophobicContact CZ2-CD1 3.8Å; W770-L844 HydrophobicContact CZ3-CD1 4.09Å; F795-L844 HydrophobicContact CD2-CD2 4.17Å; F795-L844 HydrophobicContact CE2-CD1 4.26Å; F795-L844 HydrophobicContact CE2-CD2 3.75Å; F795-L844 HydrophobicContact CE2-CG 4.5Å; V797-L844 HydrophobicContact CG2-CD1 4.38Å; V797-L844 HydrophobicContact CG2-CD2 4.04Å; L809-L844 HydrophobicContact CD1-CD2 3.88Å; L809-L844 HydrophobicContact CD2-CD2 4.47Å; V840-L844 HydrophobicContact CG1-CD1 4.34Å; V840-L844 HydrophobicContact CG1-CG 4.45Å; V840-L844 WeakPolarHBondContact O-CG 3.13Å; V840-L844 PolarHBondContact O-N 3.38Å; F841-L844 PolarHBondContact O-N 2.82Å; L844-F847 PolarHBondContact O-N 2.91Å; L844-R848 WeakPolarHBondContact O-CG 3.04Å; L844-R848 PolarHBondContact O-N 3.15Å; L844-R848 VanDerWaalsContact O-N 3.11Å; L844-L870 HydrophobicContact CD2-CD1 3.97Å; L844-V901 HydrophobicContact CB-CB 4.42Å; L844-V901 HydrophobicContact CB-CG1 4.17Å; L844-V901 HydrophobicContact CB-CG2 4.26Å; L844-V901 HydrophobicContact CD1-CB 4.33Å; L844-V901 HydrophobicContact CD1-CG1 4.47Å
845	E	89.6	Confident	85.4	Confident	83 Å²	83	58.2 Å²	58.2	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-37.7	178.8	-159.6	64.8	-148.5	0	0	112	F841 R848 T849	F841-E845 WeakPolarHBondContact O-CB 2.99Å; F841-E845 PolarHBondContact O-N 3.34Å; E845-R848 WeakPolarHBondContact O-CB 2.98Å; E845-R848 PolarHBondContact O-N 2.79Å; E845-T849 PolarHBondContact O-OG1 3.01Å
846	H	91.1	Very high	83.6	Confident	50 Å²	50	58.1 Å²	58.1	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-50	172.4	173.3	-86.2	0	0	0	110.9	F837 D842 M843 R848 T849 H850	F837-H846 HydrophobicContact CD1-CB 4.3Å; F837-H846 HydrophobicContact CE1-CB 3.58Å; F837-H846 AromaticContact CE1-CD2 3.93Å; F837-H846 AromaticContact CE1-CG 3.51Å; F837-H846 AromaticContact CE1-ND1 3.83Å; F837-H846 HydrophobicContact CZ-CB 4.28Å; F837-H846 AromaticContact CZ-ND1 3.82Å; D842-H846 WeakPolarHBondContact O-CB 3.49Å; D842-H846 PolarHBondContact O-N 2.92Å; M843-H846 PolarHBondContact O-N 3.28Å; H846-R848 PolarHBondContact O-N 3.49Å; H846-T849 PolarHBondContact O-N 2.91Å; H846-T849 PolarHBondContact O-OG1 3.42Å; H846-H850 AromaticContact CD2-CG 3.88Å; H846-H850 AromaticContact CD2-ND1 3.6Å; H846-H850 AromaticContact CE1-CG 3.86Å; H846-H850 AromaticContact NE2-CG 3.56Å; H846-H850 AromaticContact NE2-ND1 3.79Å; H846-H850 WeakPolarHBondContact O-CB 3.08Å; H846-H850 PolarHBondContact O-N 2.93Å; H846-H850 PolarHBondContact O-ND1 2.85Å
847	F	94.8	Very high	81.7	Confident	5 Å²	5	56.8 Å²	56.8	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-74.6	-5.6	180	-66.1	-51.1	0	0	0	114.8	L809 L820 V832 L835 F837 M843 L844 H850 I852 L870	L809-F847 HydrophobicContact CD2-CD2 4.37Å; L820-F847 HydrophobicContact CD2-CE2 3.87Å; L820-F847 HydrophobicContact CD2-CZ 4.06Å; V832-F847 HydrophobicContact CG1-CE2 4.5Å; L835-F847 HydrophobicContact CD1-CE1 4.02Å; L835-F847 HydrophobicContact CD1-CZ 3.89Å; F837-F847 HydrophobicContact CE2-CE2 4.39Å; F837-F847 HydrophobicContact CE2-CZ 4.48Å; F837-F847 HydrophobicContact CZ-CE2 4.32Å; F837-F847 HydrophobicContact CZ-CZ 4.22Å; M843-F847 HydrophobicContact CG-CD2 4Å; M843-F847 HydrophobicContact CG-CE2 3.72Å; M843-F847 VanDerWaalsContact O-CD2 3.25Å; M843-F847 WeakPolarHBondContact O-CD2 3.41Å; M843-F847 PolarHBondContact O-N 2.9Å; M843-F847 VanDerWaalsContact O-N 3.09Å; M843-F847 HydrophobicContact SD-CD2 3.44Å; M843-F847 WeakPolarHBondContact SD-CD2 2.86Å; M843-F847 HydrophobicContact SD-CE2 3.54Å; M843-F847 VanDerWaalsContact SD-CE2 3.54Å; L844-F847 PolarHBondContact O-N 2.91Å; F847-H850 WeakPolarHBondContact CA-O 2.94Å; F847-I852 HydrophobicContact CB-CD1 4.1Å; F847-I852 HydrophobicContact CB-CG1 3.92Å; F847-I852 HydrophobicContact CD1-CB 4.48Å; F847-I852 HydrophobicContact CD1-CD1 4.33Å; F847-I852 HydrophobicContact CD1-CG1 3.41Å; F847-I852 VanDerWaalsContact CD1-CG1 3.41Å; F847-I852 HydrophobicContact CD2-CD1 4.49Å; F847-I852 HydrophobicContact CD2-CG1 4.36Å; F847-I852 HydrophobicContact CE1-CG1 3.94Å; F847-I852 HydrophobicContact CG-CD1 4.09Å; F847-I852 HydrophobicContact CG-CG1 3.66Å; F847-L870 HydrophobicContact CB-CD1 3.7Å; F847-L870 HydrophobicContact CB-CG 3.8Å; F847-L870 PolarHBondContact O-N 3.23Å
848	R	91.8	Very high	79.8	Confident	39 Å²	39	60.7 Å²	60.7	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-76.9	-22	164.9	-74.2	-169.5	155.2	-173.2	-4	113.4	L844 E845 H846 L870 T871 G898 G899	L844-R848 WeakPolarHBondContact O-CG 3.04Å; L844-R848 PolarHBondContact O-N 3.15Å; L844-R848 VanDerWaalsContact O-N 3.11Å; E845-R848 WeakPolarHBondContact O-CB 2.98Å; E845-R848 PolarHBondContact O-N 2.79Å; H846-R848 PolarHBondContact O-N 3.49Å; R848-L870 HydrophobicContact CG-CB 3.8Å; R848-L870 WeakPolarHBondContact CG-O 3.45Å; R848-T871 VanDerWaalsContact CZ-O 3.32Å; R848-T871 PolarHBondContact NE-O 3.25Å; R848-T871 PolarHBondContact NH2-O 3.16Å; R848-G898 PolarHBondContact NH1-O 3.42Å; R848-G898 PolarHBondContact NH2-O 3.28Å; R848-G899 PolarHBondContact NH1-O 2.91Å; R848-G899 PolarHBondContact NH2-O 3.24Å; R848-G899 VanDerWaalsContact NH2-O 3.17Å
849	T	88.4	Confident	78.4	Confident	90 Å²	90	66.9 Å²	66.9	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-115.1	-25.5	-177.2	50.4	0	0	0	0	113.1	E845 H846 L869	E845-T849 PolarHBondContact O-OG1 3.01Å; H846-T849 PolarHBondContact O-N 2.91Å; H846-T849 PolarHBondContact O-OG1 3.42Å; T849-L869 VanDerWaalsContact C-CD2 3.45Å
850	H	87.1	Confident	76.9	Confident	102 Å²	102	70 Å²	70	47%	0.472	36%	0.358	S	S	.	.	S	Bend	trans	-115.5	123	-179.3	-60	77.6	0	0	0	109.6	H846 F847 I852	H846-H850 AromaticContact CD2-CG 3.88Å; H846-H850 AromaticContact CD2-ND1 3.6Å; H846-H850 AromaticContact CE1-CG 3.86Å; H846-H850 AromaticContact NE2-CG 3.56Å; H846-H850 AromaticContact NE2-ND1 3.79Å; H846-H850 WeakPolarHBondContact O-CB 3.08Å; H846-H850 PolarHBondContact O-N 2.93Å; H846-H850 PolarHBondContact O-ND1 2.85Å; F847-H850 WeakPolarHBondContact CA-O 2.94Å; H850-I852 PolarHBondContact O-N 2.81Å
851	H	86.6	Confident	74.8	Confident	106 Å²	106	72.1 Å²	72.1	49%	0.491	38%	0.382	S	S	.	.			trans	-62.3	129.8	-176.3	-72.3	-122.8	0	0	0	110.4	P853 G867 L869	H851-P853 WeakPolarHBondContact O-CD 3.36Å; H851-G867 PolarHBondContact ND1-O 2.83Å; H851-L869 HydrophobicContact CB-CD2 4.4Å; H851-L869 VanDerWaalsContact CD2-CD2 3.48Å; H851-L869 WeakPolarHBondContact CD2-CD2 3.4Å; H851-L869 WeakPolarHBondContact NE2-CD1 3.48Å
852	I	86.2	Confident	72.7	Confident	7 Å²	7	77.1 Å²	77.1	4%	0.036	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-66	116	170.2	-59.9	168.7	0	0	0	107.3	L809 F811 L820 F847 H850 L854 G867 V868 L870	L809-I852 HydrophobicContact CD2-CD1 4.46Å; F811-I852 HydrophobicContact CD1-CD1 4.31Å; F811-I852 HydrophobicContact CD2-CD1 4.46Å; F811-I852 HydrophobicContact CE1-CD1 3.97Å; F811-I852 HydrophobicContact CE2-CD1 4.12Å; F811-I852 HydrophobicContact CZ-CD1 3.85Å; F811-I852 HydrophobicContact CZ-CG2 4.01Å; L820-I852 HydrophobicContact CD2-CG2 4.41Å; F847-I852 HydrophobicContact CB-CD1 4.1Å; F847-I852 HydrophobicContact CB-CG1 3.92Å; F847-I852 HydrophobicContact CD1-CB 4.48Å; F847-I852 HydrophobicContact CD1-CD1 4.33Å; F847-I852 HydrophobicContact CD1-CG1 3.41Å; F847-I852 VanDerWaalsContact CD1-CG1 3.41Å; F847-I852 HydrophobicContact CD2-CD1 4.49Å; F847-I852 HydrophobicContact CD2-CG1 4.36Å; F847-I852 HydrophobicContact CE1-CG1 3.94Å; F847-I852 HydrophobicContact CG-CD1 4.09Å; F847-I852 HydrophobicContact CG-CG1 3.66Å; H850-I852 PolarHBondContact O-N 2.81Å; I852-L854 HydrophobicContact CG2-CD2 4.46Å; I852-L854 PolarHBondContact O-N 3.11Å; I852-L854 VanDerWaalsContact O-N 3.08Å; I852-G867 WeakPolarHBondContact O-CA 3.41Å; I852-V868 PolarHBondContact N-O 3.33Å; I852-V868 PolarHBondContact O-N 3.24Å; I852-L870 HydrophobicContact CD1-CD2 3.97Å; I852-L870 HydrophobicContact CD1-CG 4.33Å
853	P	73.1	Confident	70.8	Confident	115 Å²	115	80.1 Å²	80.1	75%	0.747	44%	0.44	S	S	*	.			trans	-65.8	113.4	179.3	-18.2	32	0	0	0	109.2	H851	H851-P853 WeakPolarHBondContact O-CD 3.36Å
854	L	68.5	Low	68.7	Low	48 Å²	48	80.9 Å²	80.9	25%	0.251	45%	0.446	S	S	.	.			trans	-105.6	125.8	173.1	-68.4	178.9	0	0	0	108.7	F811 C813 K818 I852 T856 V868	F811-L854 HydrophobicContact CE2-CD1 4.27Å; F811-L854 HydrophobicContact CE2-CD2 4.39Å; F811-L854 HydrophobicContact CZ-CD2 4.06Å; C813-L854 HydrophobicContact CB-CD1 3.92Å; C813-L854 WeakPolarHBondContact SG-CD1 3.41Å; K818-L854 HydrophobicContact CG-CD1 4.39Å; K818-L854 HydrophobicContact CG-CD2 4.32Å; I852-L854 HydrophobicContact CG2-CD2 4.46Å; I852-L854 PolarHBondContact O-N 3.11Å; I852-L854 VanDerWaalsContact O-N 3.08Å; L854-T856 PolarHBondContact O-N 3.4Å; L854-V868 HydrophobicContact CD1-CB 4.36Å; L854-V868 HydrophobicContact CD1-CG2 3.43Å; L854-V868 VanDerWaalsContact CD1-CG2 3.43Å; L854-V868 HydrophobicContact CG-CG2 4.44Å
855	Q	57.8	Low	66.6	Low	149 Å²	149	86.5 Å²	86.5	70%	0.696	48%	0.476	S	S	*	.			trans	-74.2	106.4	166.2	-63.8	-163.2	-11.4	0	0	107.5
856	T	48.7	Very low	65.2	Low	50 Å²	50	84.4 Å²	84.4	31%	0.307	48%	0.476	S	S	.	.			trans	-73.7	138	176.4	121.8	0	0	0	0	109	L854 A858 N865	L854-T856 PolarHBondContact O-N 3.4Å; T856-A858 PolarHBondContact O-N 3.28Å; T856-N865 WeakPolarHBondContact CG2-OD1 3.44Å
857	N	46.1	Very low	64.4	Low	117 Å²	117	82.8 Å²	82.8	63%	0.626	47%	0.474	S	S	*	.			trans	-70	123.5	165.5	-70.3	-34	0	0	0	106.7	R859 E860	N857-R859 PolarHBondContact O-N 3.42Å; N857-E860 PolarHBondContact O-N 3.17Å
858	A	47.9	Very low	64.1	Low	103 Å²	103	82.6 Å²	82.6	85%	0.851	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	7.4	-173.9	0	0	0	0	0	117.2	T856	T856-A858 PolarHBondContact O-N 3.28Å
859	R	49.4	Very low	64.1	Low	248 Å²	248	83 Å²	83	94%	0.936	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.8	174.3	-72.6	-174.2	177.1	-175.5	-1.7	113.5	N857	N857-R859 PolarHBondContact O-N 3.42Å
860	E	49.3	Very low	64.4	Low	84 Å²	84	79 Å²	79	39%	0.393	45%	0.452	S	S	.	.	S	Bend	trans	-96.9	125.2	175.1	-63.1	-175.2	-156.3	0	0	107.9	R816 N857 S864	R816-E860 IonicContact NH1-OE1 3.78Å; R816-E860 PolarHBondContact NH1-OE1 3.15Å; N857-E860 PolarHBondContact O-N 3.17Å; E860-S864 PolarHBondContact O-OG 3.43Å
861	G	45.6	Very low	64.7	Low	49 Å²	49	76.8 Å²	76.8	51%	0.505	45%	0.447	S	S	.	.			trans	-58.1	175.6	-165.8	0	0	0	0	0	115.6	S863 S864	G861-S863 PolarHBondContact O-N 3.23Å; G861-S864 WeakPolarHBondContact O-CB 3.3Å; G861-S864 PolarHBondContact O-N 3.41Å; G861-S864 PolarHBondContact O-OG 2.97Å
862	P	46.5	Very low	65	Low	118 Å²	118	74.6 Å²	74.6	77%	0.766	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-58.9	-20.4	-169.6	21.1	-32	0	0	0	115.3	S864	P862-S864 PolarHBondContact O-N 3.26Å
863	S	47.8	Very low	65.5	Low	119 Å²	119	74.3 Å²	74.3	83%	0.832	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-68.7	-12.7	172	-80	0	0	0	0	114.4	G861	G861-S863 PolarHBondContact O-N 3.23Å
864	S	51.7	Low	66.4	Low	16 Å²	16	68.9 Å²	68.9	11%	0.112	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-88.5	-4.4	-179	70.4	0	0	0	0	114.4	E860 G861 P862 G866	E860-S864 PolarHBondContact O-OG 3.43Å; G861-S864 WeakPolarHBondContact O-CB 3.3Å; G861-S864 PolarHBondContact O-N 3.41Å; G861-S864 PolarHBondContact O-OG 2.97Å; P862-S864 PolarHBondContact O-N 3.26Å; S864-G866 PolarHBondContact O-N 2.85Å; S864-G866 VanDerWaalsContact O-N 3.09Å
865	N	50.1	Low	67.4	Low	119 Å²	119	67 Å²	67	64%	0.636	39%	0.392	S	S	*	.			trans	-70.4	0.8	178.8	-76.8	-8.9	0	0	0	113.9	T856 G867	T856-N865 WeakPolarHBondContact CG2-OD1 3.44Å; N865-G867 PolarHBondContact O-N 3.13Å
866	G	60.5	Low	68.7	Low	38 Å²	38	61.1 Å²	61.1	39%	0.392	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-74.1	121.7	173.1	0	0	0	0	0	110.6	S864	S864-G866 PolarHBondContact O-N 2.85Å; S864-G866 VanDerWaalsContact O-N 3.09Å
867	G	75.4	Confident	69.8	Low	17 Å²	17	62.8 Å²	62.8	18%	0.175	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-60.1	167.2	165.3	0	0	0	0	0	111	H851 I852 N865	H851-G867 PolarHBondContact ND1-O 2.83Å; I852-G867 WeakPolarHBondContact O-CA 3.41Å; N865-G867 PolarHBondContact O-N 3.13Å
868	V	87.1	Confident	70.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-99.6	131.1	-175.2	177.7	0	0	0	0	110.3	F811 C813 I852 L854	F811-V868 HydrophobicContact CD2-CB 4.31Å; F811-V868 HydrophobicContact CD2-CG1 3.86Å; F811-V868 HydrophobicContact CE2-CB 4Å; F811-V868 HydrophobicContact CE2-CG1 4.07Å; F811-V868 HydrophobicContact CE2-CG2 4.18Å; C813-V868 HydrophobicContact CB-CG2 3.69Å; C813-V868 WeakPolarHBondContact SG-CG2 3.33Å; I852-V868 PolarHBondContact N-O 3.33Å; I852-V868 PolarHBondContact O-N 3.24Å; L854-V868 HydrophobicContact CD1-CB 4.36Å; L854-V868 HydrophobicContact CD1-CG2 3.43Å; L854-V868 VanDerWaalsContact CD1-CG2 3.43Å; L854-V868 HydrophobicContact CG-CG2 4.44Å
869	L	92.5	Very high	70.9	Confident	48 Å²	48	61.2 Å²	61.2	25%	0.251	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-93.7	141.6	164.1	-68.5	174.2	0	0	0	109.6	G793 T849 H851	G793-L869 WeakPolarHBondContact CA-O 3.44Å; T849-L869 VanDerWaalsContact C-CD2 3.45Å; H851-L869 HydrophobicContact CB-CD2 4.4Å; H851-L869 VanDerWaalsContact CD2-CD2 3.48Å; H851-L869 WeakPolarHBondContact CD2-CD2 3.4Å; H851-L869 WeakPolarHBondContact NE2-CD1 3.48Å
870	L	95.3	Very high	70.8	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-69.9	132	169.9	-61.8	-173.2	0	0	0	109.3	F795 L809 F811 L844 F847 R848 I852	F795-L870 HydrophobicContact CB-CD2 3.83Å; F795-L870 HydrophobicContact CD1-CB 3.74Å; F795-L870 HydrophobicContact CD1-CD1 4.19Å; F795-L870 HydrophobicContact CD1-CD2 3.91Å; F795-L870 HydrophobicContact CD1-CG 4.15Å; F795-L870 HydrophobicContact CD2-CD1 4.27Å; F795-L870 HydrophobicContact CE1-CB 3.8Å; F795-L870 HydrophobicContact CE1-CD1 4.28Å; F795-L870 HydrophobicContact CE1-CG 4.48Å; F795-L870 HydrophobicContact CE2-CD1 4.35Å; F795-L870 HydrophobicContact CG-CB 4.48Å; F795-L870 HydrophobicContact CG-CD1 4.19Å; F795-L870 HydrophobicContact CG-CD2 3.89Å; F795-L870 HydrophobicContact CG-CG 4.41Å; F795-L870 HydrophobicContact CZ-CD1 4.35Å; L809-L870 HydrophobicContact CD1-CD1 4.39Å; L809-L870 HydrophobicContact CD2-CD1 4.07Å; L809-L870 HydrophobicContact CD2-CD2 4.44Å; F811-L870 HydrophobicContact CB-CD2 4.02Å; F811-L870 HydrophobicContact CG-CD2 4.35Å; L844-L870 HydrophobicContact CD2-CD1 3.97Å; F847-L870 HydrophobicContact CB-CD1 3.7Å; F847-L870 HydrophobicContact CB-CG 3.8Å; F847-L870 PolarHBondContact O-N 3.23Å; R848-L870 HydrophobicContact CG-CB 3.8Å; R848-L870 WeakPolarHBondContact CG-O 3.45Å; I852-L870 HydrophobicContact CD1-CD2 3.97Å; I852-L870 HydrophobicContact CD1-CG 4.33Å
871	T	92.8	Very high	70.4	Confident	57 Å²	57	57.4 Å²	57.4	35%	0.35	35%	0.354	S	S	.	.			trans	-110.6	-92.1	-179.8	50.4	0	0	0	0	108.9	H792 G793 L794 R848	H792-T871 PolarHBondContact O-OG1 3.05Å; G793-T871 WeakPolarHBondContact CA-OG1 3.44Å; G793-T871 PolarHBondContact O-N 2.9Å; G793-T871 VanDerWaalsContact O-N 3.09Å; G793-T871 PolarHBondContact O-OG1 3.2Å; L794-T871 PolarHBondContact N-OG1 3.12Å; R848-T871 VanDerWaalsContact CZ-O 3.32Å; R848-T871 PolarHBondContact NE-O 3.25Å; R848-T871 PolarHBondContact NH2-O 3.16Å
872	D	94.1	Very high	70.4	Confident	60 Å²	60	60.9 Å²	60.9	32%	0.321	37%	0.368	S	S	.	.			trans	-99	158.1	-179.6	-58.4	-89.7	0	0	0	111.3	L794 F795 G898	L794-D872 WeakPolarHBondContact CA-O 3.19Å; L794-D872 HydrophobicContact CD1-CB 3.89Å; L794-D872 WeakPolarHBondContact CD1-O 3.15Å; F795-D872 WeakPolarHBondContact CD1-O 3.38Å; F795-D872 VanDerWaalsContact CE1-O 3.31Å; F795-D872 WeakPolarHBondContact CE1-O 3.48Å; F795-D872 PolarHBondContact N-O 3.38Å; D872-G898 WeakPolarHBondContact OD1-CA 3.48Å; D872-G898 PolarHBondContact OD1-N 3.37Å
873	Y	94.8	Very high	70.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.7	169.6	58.1	-102.1	0	0	0	112.2	P769 W770 F795 I875 T896 H897	P769-Y873 HydrophobicContact CB-CE2 3.92Å; P769-Y873 HydrophobicContact CG-CD2 4.38Å; P769-Y873 HydrophobicContact CG-CE2 3.45Å; P769-Y873 VanDerWaalsContact CG-CE2 3.45Å; W770-Y873 HydrophobicContact CB-CD1 4.31Å; W770-Y873 HydrophobicContact CB-CD2 3.81Å; W770-Y873 HydrophobicContact CB-CG 3.66Å; W770-Y873 HydrophobicContact CG-CG 4.49Å; F795-Y873 HydrophobicContact CZ-CD1 4.24Å; F795-Y873 HydrophobicContact CZ-CG 4.48Å; F795-Y873 CarbonylContact O-C 3.47Å; F795-Y873 WeakPolarHBondContact O-CA 3.37Å; Y873-I875 HydrophobicContact CD2-CG1 4.34Å; Y873-I875 HydrophobicContact CE2-CG1 4.08Å; Y873-T896 CarbonylContact O-C 3.57Å; Y873-T896 VanDerWaalsContact O-CA 3.23Å; Y873-T896 WeakPolarHBondContact O-CA 3.44Å; Y873-H897 VanDerWaalsContact CD1-O 3.24Å; Y873-H897 WeakPolarHBondContact CD1-O 3.34Å; Y873-H897 HydrophobicContact CE1-CB 4.48Å; Y873-H897 AromaticContact CE1-ND1 3.7Å; Y873-H897 WeakPolarHBondContact CE1-O 3.34Å; Y873-H897 HydrophobicContact CE2-CB 3.85Å; Y873-H897 AromaticContact CZ-CG 3.97Å; Y873-H897 AromaticContact CZ-ND1 3.31Å; Y873-H897 VanDerWaalsContact CZ-ND1 3.31Å; Y873-H897 PolarHBondContact N-O 3.33Å; Y873-H897 PolarHBondContact O-N 2.9Å; Y873-H897 PolarHBondContact OH-ND1 3.02Å
874	V	92.4	Very high	69.9	Low	2 Å²	2	62.8 Å²	62.8	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.8	171.8	-174.4	0	0	0	0	109.3	H772 L783 V784 L794 F795 L796 A876	H772-V874 PolarHBondContact NE2-O 2.85Å; L783-V874 HydrophobicContact CB-CG1 4.33Å; L783-V874 HydrophobicContact CD1-CG1 4.34Å; V784-V874 HydrophobicContact CG1-CG2 4.36Å; L794-V874 HydrophobicContact CD1-CG2 3.9Å; L794-V874 HydrophobicContact CD2-CG2 3.95Å; L794-V874 HydrophobicContact CG-CG2 3.83Å; F795-V874 PolarHBondContact O-N 3.2Å; L796-V874 HydrophobicContact CB-CB 4.49Å; L796-V874 HydrophobicContact CD2-CB 4.34Å; L796-V874 HydrophobicContact CD2-CG2 4.42Å; V874-A876 PolarHBondContact O-N 2.66Å
875	I	89.8	Confident	69.4	Low	9 Å²	9	73.5 Å²	73.5	5%	0.046	39%	0.391	C	S	.	.			trans	-80.5	117.7	-176.6	-59.7	163.7	0	0	0	110.4	P769 Y873 W877 M895 H897 L908	P769-I875 HydrophobicContact CB-CB 4.49Å; P769-I875 HydrophobicContact CB-CG2 3.88Å; Y873-I875 HydrophobicContact CD2-CG1 4.34Å; Y873-I875 HydrophobicContact CE2-CG1 4.08Å; I875-W877 HydrophobicContact CD1-CZ2 4.22Å; I875-W877 HydrophobicContact CG2-CD2 3.79Å; I875-W877 VanDerWaalsContact CG2-CE2 3.43Å; I875-W877 HydrophobicContact CG2-CE3 4.48Å; I875-W877 HydrophobicContact CG2-CG 4.02Å; I875-W877 HydrophobicContact CG2-CZ2 3.85Å; I875-W877 PolarHBondContact O-N 2.69Å; I875-M895 WeakPolarHBondContact CB-O 3.34Å; I875-M895 HydrophobicContact CD1-CB 3.89Å; I875-M895 WeakPolarHBondContact CG1-O 3.39Å; I875-M895 PolarHBondContact N-O 3.03Å; I875-H897 HydrophobicContact CD1-CB 4.03Å; I875-H897 HydrophobicContact CG1-CB 4.26Å; I875-L908 HydrophobicContact CD1-CD2 3.73Å; I875-L908 HydrophobicContact CG1-CD2 3.94Å; I875-L908 HydrophobicContact CG2-CD2 4.24Å
876	A	85.2	Confident	69.2	Low	25 Å²	25	70.9 Å²	70.9	21%	0.207	38%	0.379	C	S	.	.			trans	-80	100.5	162.7	0	0	0	0	0	108.8	P769 F771 V874	P769-A876 VanDerWaalsContact O-CB 3.28Å; P769-A876 WeakPolarHBondContact O-CB 3.36Å; P769-A876 PolarHBondContact O-N 3.08Å; F771-A876 WeakPolarHBondContact O-CB 3.41Å; V874-A876 PolarHBondContact O-N 2.66Å
877	W	71.2	Confident	68.7	Low	85 Å²	85	73.2 Å²	73.2	32%	0.322	39%	0.386	S	S	.	.			trans	-75.7	131.8	170	-67.8	101.4	0	0	0	109.6	I875 M895 E909	I875-W877 HydrophobicContact CD1-CZ2 4.22Å; I875-W877 HydrophobicContact CG2-CD2 3.79Å; I875-W877 VanDerWaalsContact CG2-CE2 3.43Å; I875-W877 HydrophobicContact CG2-CE3 4.48Å; I875-W877 HydrophobicContact CG2-CG 4.02Å; I875-W877 HydrophobicContact CG2-CZ2 3.85Å; I875-W877 PolarHBondContact O-N 2.69Å; W877-M895 HydrophobicContact CZ2-CE 3.78Å; W877-M895 HydrophobicContact CZ2-SD 4.02Å; W877-M895 PolarHBondContact NE1-SD 3.29Å; W877-E909 HydrophobicContact CZ3-CB 4.48Å
878	P	60.5	Low	67.5	Low	77 Å²	77	77.5 Å²	77.5	50%	0.5	41%	0.41	S	S	.	.			trans	-57.2	140	168.4	23.4	-30.1	0	0	0	108.7	N880	P878-N880 PolarHBondContact O-N 3.26Å
879	P	56.3	Low	65.8	Low	109 Å²	109	81.4 Å²	81.4	71%	0.708	44%	0.443	S	S	*	.			trans	-61.3	109.9	175.2	23.9	-31	0	0	0	107.9	Q881	P879-Q881 PolarHBondContact O-N 3.4Å; P879-Q881 VanDerWaalsContact O-N 3.07Å
880	N	49	Very low	64.1	Low	130 Å²	130	80.2 Å²	80.2	70%	0.695	44%	0.436	S	S	*	.	S	Bend	trans	-60	-22.5	-178.9	-101.3	-4.3	0	0	0	111.9	P878	P878-N880 PolarHBondContact O-N 3.26Å
881	Q	40.5	Very low	62.3	Low	122 Å²	122	83.9 Å²	83.9	57%	0.57	46%	0.461	S	S	*	.	S	Bend	trans	-149.5	142.8	173.7	-63.5	-179.3	0	0	0	110.7	P879 H883 Q884	P879-Q881 PolarHBondContact O-N 3.4Å; P879-Q881 VanDerWaalsContact O-N 3.07Å; Q881-H883 PolarHBondContact O-N 3Å; Q881-Q884 PolarHBondContact O-N 3.5Å
882	P	45.8	Very low	60.9	Low	123 Å²	123	86.4 Å²	86.4	80%	0.799	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.9	-179.3	23	-32.3	0	0	0	114.8
883	H	42.5	Very low	59.4	Low	174 Å²	174	85.5 Å²	85.5	81%	0.806	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	1.1	-177.6	-61.6	-51.4	0	0	0	115	Q881 R885	Q881-H883 PolarHBondContact O-N 3Å; H883-R885 PolarHBondContact O-N 3.17Å
884	Q	41.4	Very low	58.1	Low	102 Å²	102	88 Å²	88	48%	0.477	47%	0.469	S	S	.	.			trans	-92.9	89.3	173.7	-119.1	173.4	22.7	0	0	109.5	Q881 T886	Q881-Q884 PolarHBondContact O-N 3.5Å; Q884-T886 PolarHBondContact O-N 3.21Å
885	R	40.6	Very low	57.7	Low	242 Å²	242	91.7 Å²	91.7	91%	0.913	49%	0.487	S	S	*	.			trans	-70.4	108.7	160.7	-71.4	-173.7	-174	-178	3.3	106.6	H883 T887	H883-R885 PolarHBondContact O-N 3.17Å; R885-T887 PolarHBondContact O-N 3.12Å
886	T	45.8	Very low	57.7	Low	64 Å²	64	94.5 Å²	94.5	39%	0.393	51%	0.505	S	S	.	.			trans	-61.4	133.2	171.2	56.5	0	0	0	0	107.7	Q884 D890 N893	Q884-T886 PolarHBondContact O-N 3.21Å; T886-D890 HydrophobicContact CG2-CB 4.43Å; T886-N893 WeakPolarHBondContact CB-OD1 3.36Å; T886-N893 PolarHBondContact OG1-ND2 3.43Å; T886-N893 VanDerWaalsContact OG1-ND2 3.13Å; T886-N893 PolarHBondContact OG1-OD1 3.08Å
887	T	50.1	Low	57.8	Low	87 Å²	87	95 Å²	95	53%	0.534	50%	0.503	S	S	.	.			trans	-69.2	153.8	170.4	55.1	0	0	0	0	108.1	R885 A889 D890 N893	R885-T887 PolarHBondContact O-N 3.12Å; T887-A889 PolarHBondContact O-N 2.83Å; T887-D890 WeakPolarHBondContact O-CB 3.3Å; T887-D890 PolarHBondContact O-N 2.86Å; T887-N893 PolarHBondContact O-ND2 3.33Å
888	P	51.2	Low	58.5	Low	106 Å²	106	92.7 Å²	92.7	69%	0.688	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-17	171.3	-23.9	32.7	0	0	0	113.2	Y894	P888-Y894 WeakPolarHBondContact O-CE2 3.33Å; P888-Y894 VanDerWaalsContact O-CZ 3.28Å; P888-Y894 PolarHBondContact O-OH 2.97Å
889	A	50.4	Low	59.8	Low	82 Å²	82	90.3 Å²	90.3	68%	0.678	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.9	176.6	0	0	0	0	0	114.5	T887 P891	T887-A889 PolarHBondContact O-N 2.83Å; A889-P891 WeakPolarHBondContact O-CD 3.18Å
890	D	57.6	Low	61.2	Low	23 Å²	23	87.8 Å²	87.8	12%	0.123	48%	0.48	C	S	.	.			trans	-67.6	118.3	179	-167.5	-30.8	0	0	0	109.7	T886 T887 R892 N893 Y894	T886-D890 HydrophobicContact CG2-CB 4.43Å; T887-D890 WeakPolarHBondContact O-CB 3.3Å; T887-D890 PolarHBondContact O-N 2.86Å; D890-R892 PolarHBondContact O-N 2.78Å; D890-R892 VanDerWaalsContact O-N 3.09Å; D890-R892 VanDerWaalsContact OD1-CB 3.29Å; D890-R892 WeakPolarHBondContact OD1-CB 3.21Å; D890-R892 WeakPolarHBondContact OD1-CG 3.32Å; D890-R892 PolarHBondContact OD1-N 3.12Å; D890-R892 IonicContact OD1-NE 2.78Å; D890-R892 PolarHBondContact OD1-NE 2.78Å; D890-R892 VanDerWaalsContact OD1-NE 3.14Å; D890-R892 IonicContact OD1-NH2 4Å; D890-R892 IonicContact OD2-CZ 3.75Å; D890-R892 IonicContact OD2-NE 2.65Å; D890-R892 PolarHBondContact OD2-NE 2.78Å; D890-R892 IonicContact OD2-NH2 2.78Å; D890-R892 PolarHBondContact OD2-NH2 3.38Å; D890-N893 WeakPolarHBondContact O-CB 3.24Å; D890-N893 PolarHBondContact O-N 2.84Å; D890-Y894 WeakPolarHBondContact O-CD2 3.49Å
891	P	57.7	Low	63.1	Low	83 Å²	83	81.6 Å²	81.6	54%	0.539	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-60	-22.7	-179	23.7	-33.5	0	0	0	112.8	A889 N893 Y894	A889-P891 WeakPolarHBondContact O-CD 3.18Å; P891-N893 PolarHBondContact O-N 2.67Å; P891-Y894 PolarHBondContact O-N 3.47Å; P891-Y894 VanDerWaalsContact O-N 3.14Å
892	R	61.6	Low	65.3	Low	110 Å²	110	81.9 Å²	81.9	42%	0.415	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.2	176.6	-68.6	179.2	-75.1	179.6	-1	113.2	D890 Y894 M895	D890-R892 PolarHBondContact O-N 2.78Å; D890-R892 VanDerWaalsContact O-N 3.09Å; D890-R892 VanDerWaalsContact OD1-CB 3.29Å; D890-R892 WeakPolarHBondContact OD1-CB 3.21Å; D890-R892 WeakPolarHBondContact OD1-CG 3.32Å; D890-R892 PolarHBondContact OD1-N 3.12Å; D890-R892 IonicContact OD1-NE 2.78Å; D890-R892 PolarHBondContact OD1-NE 2.78Å; D890-R892 VanDerWaalsContact OD1-NE 3.14Å; D890-R892 IonicContact OD1-NH2 4Å; D890-R892 IonicContact OD2-CZ 3.75Å; D890-R892 IonicContact OD2-NE 2.65Å; D890-R892 PolarHBondContact OD2-NE 2.78Å; D890-R892 IonicContact OD2-NH2 2.78Å; D890-R892 PolarHBondContact OD2-NH2 3.38Å; R892-Y894 PolarHBondContact O-N 3.34Å; R892-M895 HydrophobicContact CG-SD 4.37Å
893	N	62.5	Low	67.1	Low	41 Å²	41	78.5 Å²	78.5	22%	0.219	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-67	-14.8	178.1	-68.9	-21.1	0	0	0	112.8	L783 T886 T887 D890 P891	L783-N893 WeakPolarHBondContact CD2-O 3.09Å; T886-N893 WeakPolarHBondContact CB-OD1 3.36Å; T886-N893 PolarHBondContact OG1-ND2 3.43Å; T886-N893 VanDerWaalsContact OG1-ND2 3.13Å; T886-N893 PolarHBondContact OG1-OD1 3.08Å; T887-N893 PolarHBondContact O-ND2 3.33Å; D890-N893 WeakPolarHBondContact O-CB 3.24Å; D890-N893 PolarHBondContact O-N 2.84Å; P891-N893 PolarHBondContact O-N 2.67Å
894	Y	69	Low	69	Low	51 Å²	51	72.2 Å²	72.2	20%	0.2	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-121.4	10.1	-169.7	-55.9	-69.1	0	0	0	113.6	L783 Q786 P888 D890 P891 R892 T896	L783-Y894 HydrophobicContact CD2-CD1 3.85Å; L783-Y894 HydrophobicContact CD2-CE1 3.77Å; Q786-Y894 HydrophobicContact CB-CD1 4.31Å; Q786-Y894 HydrophobicContact CB-CE1 4.37Å; Q786-Y894 VanDerWaalsContact CD-CE1 3.41Å; Q786-Y894 HydrophobicContact CG-CD1 4.18Å; Q786-Y894 HydrophobicContact CG-CE1 4.11Å; Q786-Y894 VanDerWaalsContact NE2-CD2 3.29Å; Q786-Y894 VanDerWaalsContact NE2-CG 3.28Å; P888-Y894 WeakPolarHBondContact O-CE2 3.33Å; P888-Y894 VanDerWaalsContact O-CZ 3.28Å; P888-Y894 PolarHBondContact O-OH 2.97Å; D890-Y894 WeakPolarHBondContact O-CD2 3.49Å; P891-Y894 PolarHBondContact O-N 3.47Å; P891-Y894 VanDerWaalsContact O-N 3.14Å; R892-Y894 PolarHBondContact O-N 3.34Å; Y894-T896 PolarHBondContact O-N 3.18Å
895	M	83.2	Confident	70.6	Confident	81 Å²	81	68.4 Å²	68.4	40%	0.399	38%	0.377	S	S	.	.			trans	-67.4	136.1	176.1	-65.2	177.8	65.3	0	0	110.2	I875 W877 R892	I875-M895 WeakPolarHBondContact CB-O 3.34Å; I875-M895 HydrophobicContact CD1-CB 3.89Å; I875-M895 WeakPolarHBondContact CG1-O 3.39Å; I875-M895 PolarHBondContact N-O 3.03Å; W877-M895 HydrophobicContact CZ2-CE 3.78Å; W877-M895 HydrophobicContact CZ2-SD 4.02Å; W877-M895 PolarHBondContact NE1-SD 3.29Å; R892-M895 HydrophobicContact CG-SD 4.37Å
896	T	89.6	Confident	72.2	Confident	67 Å²	67	63.1 Å²	63.1	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158	-179.7	65.9	0	0	0	0	110.8	L794 Y873 Y894	L794-T896 HydrophobicContact CD1-CG2 3.47Å; L794-T896 VanDerWaalsContact CD1-CG2 3.47Å; L794-T896 HydrophobicContact CD2-CG2 4.14Å; L794-T896 HydrophobicContact CG-CG2 4.47Å; Y873-T896 CarbonylContact O-C 3.57Å; Y873-T896 VanDerWaalsContact O-CA 3.23Å; Y873-T896 WeakPolarHBondContact O-CA 3.44Å; Y894-T896 PolarHBondContact O-N 3.18Å
897	H	87.2	Confident	73.6	Confident	36 Å²	36	62.4 Å²	62.4	17%	0.167	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	131	173.7	177.4	-100	0	0	0	111.7	Y873 I875 G899 L908	Y873-H897 VanDerWaalsContact CD1-O 3.24Å; Y873-H897 WeakPolarHBondContact CD1-O 3.34Å; Y873-H897 HydrophobicContact CE1-CB 4.48Å; Y873-H897 AromaticContact CE1-ND1 3.7Å; Y873-H897 WeakPolarHBondContact CE1-O 3.34Å; Y873-H897 HydrophobicContact CE2-CB 3.85Å; Y873-H897 AromaticContact CZ-CG 3.97Å; Y873-H897 AromaticContact CZ-ND1 3.31Å; Y873-H897 VanDerWaalsContact CZ-ND1 3.31Å; Y873-H897 PolarHBondContact N-O 3.33Å; Y873-H897 PolarHBondContact O-N 2.9Å; Y873-H897 PolarHBondContact OH-ND1 3.02Å; I875-H897 HydrophobicContact CD1-CB 4.03Å; I875-H897 HydrophobicContact CG1-CB 4.26Å; H897-G899 WeakPolarHBondContact CE1-CA 3.24Å; H897-G899 PolarHBondContact CE1-N 2.97Å; H897-G899 VanDerWaalsContact CE1-N 3.27Å; H897-G899 PolarHBondContact ND1-N 3.48Å; H897-L908 HydrophobicContact CB-CD1 4.36Å; H897-L908 HydrophobicContact CB-CD2 4.46Å; H897-L908 VanDerWaalsContact CD2-CD1 3.45Å; H897-L908 WeakPolarHBondContact CD2-CD1 3.22Å
898	G	87.2	Confident	74.9	Confident	37 Å²	37	58.8 Å²	58.8	38%	0.381	34%	0.337	S	S	.	.			trans	-94.5	-5.5	-177.4	0	0	0	0	0	115.3	R848 D872	R848-G898 PolarHBondContact NH1-O 3.42Å; R848-G898 PolarHBondContact NH2-O 3.28Å; D872-G898 WeakPolarHBondContact OD1-CA 3.48Å; D872-G898 PolarHBondContact OD1-N 3.37Å
899	G	86.2	Confident	76	Confident	27 Å²	27	58.1 Å²	58.1	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-71.5	-166.9	-180	0	0	0	0	0	113.5	R848 H897 V901	R848-G899 PolarHBondContact NH1-O 2.91Å; R848-G899 PolarHBondContact NH2-O 3.24Å; R848-G899 VanDerWaalsContact NH2-O 3.17Å; H897-G899 WeakPolarHBondContact CE1-CA 3.24Å; H897-G899 PolarHBondContact CE1-N 2.97Å; H897-G899 VanDerWaalsContact CE1-N 3.27Å; H897-G899 PolarHBondContact ND1-N 3.48Å; G899-V901 PolarHBondContact O-N 3Å
900	S	86.6	Confident	77.1	Confident	56 Å²	56	58.7 Å²	58.7	39%	0.392	31%	0.313	S	S	.	.			trans	-55.8	133.5	-173.6	-176.6	0	0	0	0	113	R902 M903	S900-R902 PolarHBondContact O-N 2.96Å; S900-R902 VanDerWaalsContact O-N 3.15Å; S900-R902 PolarHBondContact OG-N 3.39Å; S900-R902 VanDerWaalsContact OG-N 3.13Å; S900-M903 WeakPolarHBondContact O-CB 3.4Å; S900-M903 PolarHBondContact O-N 3.03Å
901	V	88.4	Confident	77.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.7	170.8	-58.8	0	0	0	0	112.7	W770 F795 L844 G899 M903	W770-V901 PolarHBondContact NE1-O 3.38Å; F795-V901 HydrophobicContact CZ-CG1 4.08Å; L844-V901 HydrophobicContact CB-CB 4.42Å; L844-V901 HydrophobicContact CB-CG1 4.17Å; L844-V901 HydrophobicContact CB-CG2 4.26Å; L844-V901 HydrophobicContact CD1-CB 4.33Å; L844-V901 HydrophobicContact CD1-CG1 4.47Å; G899-V901 PolarHBondContact O-N 3Å; V901-M903 VanDerWaalsContact C-N 3.35Å
902	R	86.3	Confident	78.5	Confident	127 Å²	127	59.6 Å²	59.6	48%	0.479	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-2.2	174.9	-62.5	178.7	173.9	-89.7	1.6	112.7	F841 D842 S900 T904	F841-R902 HydrophobicContact CB-CG 4.31Å; F841-R902 HydrophobicContact CD1-CG 4.12Å; F841-R902 HydrophobicContact CG-CG 4.37Å; D842-R902 IonicContact OD1-NH2 3.83Å; D842-R902 PolarHBondContact OD1-NH2 2.83Å; S900-R902 PolarHBondContact O-N 2.96Å; S900-R902 VanDerWaalsContact O-N 3.15Å; S900-R902 PolarHBondContact OG-N 3.39Å; S900-R902 VanDerWaalsContact OG-N 3.13Å; R902-T904 PolarHBondContact O-N 2.76Å
903	M	83.6	Confident	78.9	Confident	53 Å²	53	60 Å²	60	26%	0.261	33%	0.331	S	S	.	.			trans	-68.1	127.4	174.9	-164.3	72.5	75.4	0	0	110.3	P769 S900 V901 S907 L908	P769-M903 VanDerWaalsContact CD-O 3.24Å; P769-M903 WeakPolarHBondContact CD-O 3.24Å; S900-M903 WeakPolarHBondContact O-CB 3.4Å; S900-M903 PolarHBondContact O-N 3.03Å; V901-M903 VanDerWaalsContact C-N 3.35Å; M903-S907 VanDerWaalsContact SD-CB 3.51Å; M903-L908 HydrophobicContact CG-CB 4.26Å
904	T	83	Confident	79.1	Confident	42 Å²	42	64 Å²	64	26%	0.258	35%	0.348	S	S	.	.			trans	-80.7	159.2	175.8	72.1	0	0	0	0	111.2	K767 Y768 R902 H906 S907 L908	K767-T904 WeakPolarHBondContact O-CA 3.24Å; Y768-T904 HydrophobicContact CE1-CG2 4.23Å; R902-T904 PolarHBondContact O-N 2.76Å; T904-H906 VanDerWaalsContact C-N 3.26Å; T904-H906 PolarHBondContact O-N 2.91Å; T904-S907 PolarHBondContact O-N 2.97Å; T904-S907 VanDerWaalsContact O-N 3.17Å; T904-S907 PolarHBondContact OG1-N 3.28Å; T904-S907 PolarHBondContact OG1-OG 3.12Å; T904-L908 PolarHBondContact O-N 2.83Å
905	A	75.6	Confident	78.6	Confident	22 Å²	22	68.7 Å²	68.7	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-57.1	-40.8	177.5	0	0	0	0	0	112.1	K767 L908 E909	K767-A905 PolarHBondContact O-N 3.33Å; A905-L908 PolarHBondContact O-N 3.15Å; A905-E909 PolarHBondContact O-N 2.7Å
906	H	72.8	Confident	76.8	Confident	131 Å²	131	67.5 Å²	67.5	61%	0.606	38%	0.38	S	S	*	.	H	α-helix	trans	-64.4	-42.7	176.4	-178	-69.5	0	0	0	112.6	T904 L908 E909 Q910	T904-H906 VanDerWaalsContact C-N 3.26Å; T904-H906 PolarHBondContact O-N 2.91Å; H906-L908 VanDerWaalsContact C-N 3.3Å; H906-L908 PolarHBondContact O-N 3.49Å; H906-E909 PolarHBondContact O-N 3.32Å; H906-Q910 PolarHBondContact O-N 3.48Å
907	S	75.9	Confident	74.1	Confident	49 Å²	49	71.9 Å²	71.9	34%	0.343	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-36	177.1	-56.4	0	0	0	0	111.9	M903 T904 L911	M903-S907 VanDerWaalsContact SD-CB 3.51Å; T904-S907 PolarHBondContact O-N 2.97Å; T904-S907 VanDerWaalsContact O-N 3.17Å; T904-S907 PolarHBondContact OG1-N 3.28Å; T904-S907 PolarHBondContact OG1-OG 3.12Å; S907-L911 WeakPolarHBondContact O-CB 3.19Å; S907-L911 PolarHBondContact O-N 2.86Å
908	L	77.8	Confident	71.6	Confident	11 Å²	11	76 Å²	76	6%	0.058	43%	0.426	C	S	.	.	H	α-helix	trans	-67.9	-40.4	175.8	-175.2	62.8	0	0	0	111.9	P769 I875 H897 M903 T904 A905 H906 L911 A912	P769-L908 HydrophobicContact CB-CD2 4.16Å; P769-L908 HydrophobicContact CG-CD2 4.04Å; I875-L908 HydrophobicContact CD1-CD2 3.73Å; I875-L908 HydrophobicContact CG1-CD2 3.94Å; I875-L908 HydrophobicContact CG2-CD2 4.24Å; H897-L908 HydrophobicContact CB-CD1 4.36Å; H897-L908 HydrophobicContact CB-CD2 4.46Å; H897-L908 VanDerWaalsContact CD2-CD1 3.45Å; H897-L908 WeakPolarHBondContact CD2-CD1 3.22Å; M903-L908 HydrophobicContact CG-CB 4.26Å; T904-L908 PolarHBondContact O-N 2.83Å; A905-L908 PolarHBondContact O-N 3.15Å; H906-L908 VanDerWaalsContact C-N 3.3Å; H906-L908 PolarHBondContact O-N 3.49Å; L908-L911 PolarHBondContact O-N 2.92Å; L908-A912 PolarHBondContact O-N 3.11Å
909	E	74.1	Confident	69.1	Low	91 Å²	91	83 Å²	83	43%	0.425	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-44.8	174.1	-175.4	173.9	-156.2	0	0	111.6	W877 A905 H906 L911 A912 I913	W877-E909 HydrophobicContact CZ3-CB 4.48Å; A905-E909 PolarHBondContact O-N 2.7Å; H906-E909 PolarHBondContact O-N 3.32Å; E909-L911 VanDerWaalsContact C-N 3.34Å; E909-L911 PolarHBondContact O-N 3.43Å; E909-A912 WeakPolarHBondContact O-CB 3.04Å; E909-A912 PolarHBondContact O-N 3.24Å; E909-I913 HydrophobicContact CG-CD1 4.3Å; E909-I913 WeakPolarHBondContact O-CG1 3.33Å; E909-I913 PolarHBondContact O-N 3.36Å
910	Q	74	Confident	66.4	Low	94 Å²	94	89.1 Å²	89.1	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-62	-41.6	176.2	-172.7	178.1	-15.4	0	0	112.2	H906 A912 I913 E914	H906-Q910 PolarHBondContact O-N 3.48Å; Q910-A912 VanDerWaalsContact C-N 3.3Å; Q910-A912 PolarHBondContact O-N 2.66Å; Q910-I913 PolarHBondContact O-N 2.98Å; Q910-E914 PolarHBondContact NE2-OE1 3.28Å; Q910-E914 WeakPolarHBondContact O-CG 3.13Å; Q910-E914 PolarHBondContact O-N 2.9Å
911	L	74.4	Confident	63.6	Low	68 Å²	68	93.9 Å²	93.9	36%	0.356	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-39	175.3	-169	109.1	0	0	0	111.6	S907 L908 E909 I913 E914 Q915	S907-L911 WeakPolarHBondContact O-CB 3.19Å; S907-L911 PolarHBondContact O-N 2.86Å; L908-L911 PolarHBondContact O-N 2.92Å; E909-L911 VanDerWaalsContact C-N 3.34Å; E909-L911 PolarHBondContact O-N 3.43Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 PolarHBondContact O-N 2.74Å; L911-E914 PolarHBondContact O-N 3.04Å; L911-Q915 HydrophobicContact CG-CG 4.43Å; L911-Q915 WeakPolarHBondContact O-CB 3.43Å; L911-Q915 WeakPolarHBondContact O-CG 3.48Å; L911-Q915 PolarHBondContact O-N 3.49Å
912	A	69.7	Low	60.8	Low	57 Å²	57	101.8 Å²	101.8	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-35.7	175.7	0	0	0	0	0	112.2	L908 E909 Q910 G916	L908-A912 PolarHBondContact O-N 3.11Å; E909-A912 WeakPolarHBondContact O-CB 3.04Å; E909-A912 PolarHBondContact O-N 3.24Å; Q910-A912 VanDerWaalsContact C-N 3.3Å; Q910-A912 PolarHBondContact O-N 2.66Å; A912-G916 PolarHBondContact O-N 3.05Å
913	I	70.4	Confident	58.1	Low	120 Å²	120	101 Å²	101	62%	0.615	53%	0.532	S	S	*	.	H	α-helix	trans	-70.2	-43.1	174.9	-64.5	164.7	0	0	0	111.1	E909 Q910 L911 G916	E909-I913 HydrophobicContact CG-CD1 4.3Å; E909-I913 WeakPolarHBondContact O-CG1 3.33Å; E909-I913 PolarHBondContact O-N 3.36Å; Q910-I913 PolarHBondContact O-N 2.98Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 PolarHBondContact O-N 2.74Å; I913-G916 WeakPolarHBondContact O-CA 3.46Å; I913-G916 PolarHBondContact O-N 3.21Å; I913-G916 VanDerWaalsContact O-N 3.14Å
914	E	65.4	Low	55.4	Low	125 Å²	125	105.7 Å²	105.7	58%	0.584	56%	0.557	S	S	*	*	H	α-helix	trans	-68.2	-37.4	-179.5	-73.1	174.6	-171.3	0	0	112.7	Q910 L911 G916	Q910-E914 PolarHBondContact NE2-OE1 3.28Å; Q910-E914 WeakPolarHBondContact O-CG 3.13Å; Q910-E914 PolarHBondContact O-N 2.9Å; L911-E914 PolarHBondContact O-N 3.04Å; E914-G916 PolarHBondContact O-N 3.39Å
915	Q	58.5	Low	52.8	Low	148 Å²	148	113.1 Å²	113.1	69%	0.692	58%	0.58	S	S	*	*	H	α-helix	trans	-71.7	-19.3	172.5	-69.4	-83.9	-24	0	0	112.2	L911 Q917	L911-Q915 HydrophobicContact CG-CG 4.43Å; L911-Q915 WeakPolarHBondContact O-CB 3.43Å; L911-Q915 WeakPolarHBondContact O-CG 3.48Å; L911-Q915 PolarHBondContact O-N 3.49Å; Q915-Q917 PolarHBondContact O-N 3Å
916	G	46.7	Very low	50.4	Low	56 Å²	56	119.6 Å²	119.6	58%	0.577	61%	0.607	S	S	*	*			trans	-68.6	47.8	172.3	0	0	0	0	0	114	A912 I913 E914	A912-G916 PolarHBondContact O-N 3.05Å; I913-G916 WeakPolarHBondContact O-CA 3.46Å; I913-G916 PolarHBondContact O-N 3.21Å; I913-G916 VanDerWaalsContact O-N 3.14Å; E914-G916 PolarHBondContact O-N 3.39Å
917	Q	32.8	Very low	48.2	Very low	159 Å²	159	117.1 Å²	117.1	74%	0.743	62%	0.617	S	S	*	*			trans	-69	140.7	150.9	-82.7	-175.5	-15.4	0	0	108.5	Q915 Q919	Q915-Q917 PolarHBondContact O-N 3Å; Q917-Q919 PolarHBondContact O-N 3.4Å
918	P	35	Very low	45.8	Very low	124 Å²	124	125.7 Å²	125.7	81%	0.805	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	15.9	-157.9	-16.2	30.8	0	0	0	117.1
919	Q	33.2	Very low	43.4	Very low	183 Å²	183	129 Å²	129	86%	0.855	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	3.6	-164	-128.8	152.9	13.4	0	0	116.2	Q917	Q917-Q919 PolarHBondContact O-N 3.4Å
920	Q	30.3	Very low	41.3	Very low	155 Å²	155	132.9 Å²	132.9	72%	0.724	69%	0.689	S	S	*	*	S	Bend	trans	-129.2	4.2	177.9	-92.8	177.9	8.2	0	0	116.3	Q922 T923	Q920-Q922 PolarHBondContact O-N 2.99Å; Q920-Q922 VanDerWaalsContact O-N 3.08Å; Q920-T923 PolarHBondContact O-N 2.81Å
921	Q	28.8	Very low	39.1	Very low	157 Å²	157	134.6 Å²	134.6	73%	0.734	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-2.8	176.7	-141.9	147.9	25.6	0	0	113.6
922	Q	28.3	Very low	36.9	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-9.6	177.5	-99.5	-179.2	-4.9	0	0	115.9	Q920	Q920-Q922 PolarHBondContact O-N 2.99Å; Q920-Q922 VanDerWaalsContact O-N 3.08Å
923	T	29.1	Very low	35	Very low	110 Å²	110	142.8 Å²	142.8	68%	0.675	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-15.7	-175.5	-18.6	0	0	0	0	114.8	Q920	Q920-T923 PolarHBondContact O-N 2.81Å
924	I	28.3	Very low	33.1	Very low	152 Å²	152	145.1 Å²	145.1	78%	0.779	74%	0.736	S	S	*	*	S	Bend	trans	-90.6	-17.3	178	-63.1	176.1	0	0	0	112.5
925	W	27	Very low	31.3	Very low	198 Å²	198	148.8 Å²	148.8	75%	0.75	75%	0.751	S	S	*	*	S	Bend	trans	-93.3	3.7	178.5	-70.5	103.9	0	0	0	115.3
926	Q	26.4	Very low	30.2	Very low	158 Å²	158	151.3 Å²	151.3	74%	0.738	78%	0.776	S	S	*	*			trans	-102	16.7	-178.9	-78.4	-172.5	-11.4	0	0	115.2	R928	Q926-R928 PolarHBondContact O-N 2.65Å
927	G	25.4	Very low	29.3	Very low	80 Å²	80	156.1 Å²	156.1	83%	0.825	79%	0.786	S	S	*	*			trans	-72	34.9	166.3	0	0	0	0	0	114.3	A929	G927-A929 PolarHBondContact O-N 3.14Å
928	R	26	Very low	29.1	Very low	228 Å²	228	155.9 Å²	155.9	86%	0.86	79%	0.789	S	S	*	*			trans	-91.7	83.3	165.2	-168.5	172.9	-174.5	154	0.1	106.5	Q926 E930	Q926-R928 PolarHBondContact O-N 2.65Å; R928-E930 PolarHBondContact O-N 3.39Å; R928-E930 VanDerWaalsContact O-N 3.07Å
929	A	26.7	Very low	28.8	Very low	80 Å²	80	157.7 Å²	157.7	66%	0.661	79%	0.788	S	S	*	*			trans	-54.7	114.4	167.2	0	0	0	0	0	108.1	G927 N931	G927-A929 PolarHBondContact O-N 3.14Å; A929-N931 VanDerWaalsContact C-N 3.35Å; A929-N931 PolarHBondContact O-N 2.98Å
930	E	30.1	Very low	28.6	Very low	173 Å²	173	156.2 Å²	156.2	81%	0.808	78%	0.784	S	S	*	*			trans	-59.6	100.5	164.1	-66.4	176.6	159.5	0	0	106.9	R928 T932	R928-E930 PolarHBondContact O-N 3.39Å; R928-E930 VanDerWaalsContact O-N 3.07Å; E930-T932 PolarHBondContact O-N 3.04Å
931	N	29.3	Very low	28.5	Very low	130 Å²	130	156.3 Å²	156.3	70%	0.695	79%	0.788	S	S	*	*			trans	-68.2	80.5	162	-78.6	-15.6	0	0	0	107.2	A929 Y933	A929-N931 VanDerWaalsContact C-N 3.35Å; A929-N931 PolarHBondContact O-N 2.98Å; N931-Y933 VanDerWaalsContact C-N 3.33Å; N931-Y933 HydrophobicContact CB-CE2 4.27Å; N931-Y933 WeakPolarHBondContact O-CD2 3.22Å; N931-Y933 PolarHBondContact O-N 3.49Å
932	T	28.5	Very low	28.4	Very low	105 Å²	105	156.2 Å²	156.2	64%	0.644	79%	0.791	S	S	*	*			trans	-67.3	97.7	163.3	-55.5	0	0	0	0	107.1	E930 Q934	E930-T932 PolarHBondContact O-N 3.04Å; T932-Q934 HydrophobicContact CG2-CG 4.24Å; T932-Q934 PolarHBondContact O-N 3.39Å
933	Y	28.6	Very low	28.4	Very low	192 Å²	192	155.6 Å²	155.6	75%	0.753	79%	0.793	S	S	*	*			trans	-62	98.7	162.4	-71.6	-91.6	0	0	0	107.9	N931 F935	N931-Y933 VanDerWaalsContact C-N 3.33Å; N931-Y933 HydrophobicContact CB-CE2 4.27Å; N931-Y933 WeakPolarHBondContact O-CD2 3.22Å; N931-Y933 PolarHBondContact O-N 3.49Å; Y933-F935 PolarHBondContact O-N 3.22Å
934	Q	29.9	Very low	28.4	Very low	169 Å²	169	159.1 Å²	159.1	79%	0.79	80%	0.802	S	S	*	*			trans	-77.7	102.4	163.5	-75.5	-156.9	-20	0	0	108.1	T932 T936	T932-Q934 HydrophobicContact CG2-CG 4.24Å; T932-Q934 PolarHBondContact O-N 3.39Å; Q934-T936 PolarHBondContact O-N 3.16Å
935	F	28	Very low	28.4	Very low	203 Å²	203	159.7 Å²	159.7	89%	0.89	80%	0.804	S	S	*	*			trans	-65.2	119.1	155	-85.1	-95.3	0	0	0	107.8	Y933	Y933-F935 PolarHBondContact O-N 3.22Å
936	T	35	Very low	28.5	Very low	200 Å²	200	156.2 Å²	156.2	100%	1.227	81%	0.808	S	S	*	*			trans	-114.2	0	153.4	52.3	0	0	0	0	108.6	Q934	Q934-T936 PolarHBondContact O-N 3.16Å

Retrieved 936 of 936 residues in 661.6 ms (Link to these results)

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