A0A5K4F1C0_SCHMA Loading...

Anaphase-promoting complex subunit 4

AlphaFold DB , UniProt , Accession A0A5K4F1C0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 888 aa.

						>A0A5K4F1C0_SCHMA|A0A5K4F1C0
MFFCSNMVVDFTYSLVETRQLVKTKIVACLWSPKTDLIALGSDSGCVSVHRYKMTCIWECDKSDLGSVSNLTWRPDGKILTASFSSGKVCFFVVGDGFVFHELQFPSTIDYLLWTNYQSSATNINNSDSDINYLRNNVATYFPDVKHLSTFKSDVNFSSSDVCKYAQLLRDIDGNKYFPILTVYSKNTVYFYGFGVFEIAAYNLHSATLNTLNHTGTSKLVSCHLSAEQNILLITESFLNVEGQFYVVCHKIPCDGFQKFGYQLMRLSSQAYSIKITKSLLDWSFNQVCICWEDMILEMDAKFTKYARERLKHNKDWSLCVELLQFILFGHCCPELRKFLVEDWTAASLKRTGTATLKAYESIKTICFQQIQFFLQRLLFHVSEVLGSLRDTELYHELQIPPSTALNLLRTIGMTLQKTQELQLVIEKSLTQLRAFFKWLYGAILEQSGRVLPNDFPRVNLAERELVINFITDSLQPVFVQGELQNYQVDLVEQYIRSGEVYKPLEVVAQSSLKNDKERASLRKALEEIIDQSDETLLPDGLYHYCSRTTLADLIQKKMNCEIKNLIKLPLDKSTIRGCLDISCQTRQILLTGESPNLLNSGVHLTTINCFEESAEMKSSQIILKNNNNNKPKTILMAYTMGDEKSGFNSLLTIELNSNSDKSEFKIMNGVELFLDAIPGDTNPANLPYELQDMQFYSSQVLLLIVSRRSKHSKVSSIRSSPKINVSSMKIDESLLNRELSSLTPTNNDLMHSWLVMVPIRDILNGVENFSGELLKQTNTTASIVNESIRTNLPRRNLSEFITRGNIEALPWHAIKLTTNGDRSIVFVLFENHSTCRVYLMERPEPDETMVVDDSANESHLQATNNGNNVGVGDTGVVAETSRVIGKV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	40.2	Very low	237 Å²	237	125.6 Å²	125.6	100%	1.167	65%	0.654	S	S	*	*				0	121.9	0	-122.8	171.8	-157.4	0	0	106.3	F3	M1-F3 PolarHBondContact O-N 2.82Å
2	F	25.5	Very low	43.8	Very low	198 Å²	198	120.1 Å²	120.1	87%	0.868	63%	0.63	S	S	*	*			trans	-59.5	114.4	-160.9	-73.7	-100.2	0	0	0	114
3	F	27.9	Very low	47.4	Very low	215 Å²	215	112.9 Å²	112.9	94%	0.943	59%	0.59	S	S	*	*			trans	-125.2	81.4	152.8	-88.1	-81.8	0	0	0	107.1	M1	M1-F3 PolarHBondContact O-N 2.82Å
4	C	24.4	Very low	50.5	Low	104 Å²	104	107.4 Å²	107.4	70%	0.703	57%	0.565	S	S	*	*			trans	-93.3	143.3	166.9	-110.2	0	0	0	0	108.4
5	S	26.7	Very low	53.3	Low	104 Å²	104	105.4 Å²	105.4	73%	0.727	56%	0.555	S	S	*	*			trans	78.8	88.2	150.9	-39.7	0	0	0	0	117.8
6	N	28.9	Very low	55.8	Low	171 Å²	171	101.3 Å²	101.3	91%	0.914	54%	0.535	S	S	*	.			trans	-167.6	5.6	142.7	-96	-13.6	0	0	0	113.3
7	M	34.4	Very low	57.9	Low	133 Å²	133	98.9 Å²	98.9	66%	0.655	52%	0.52	S	S	*	.			trans	-91.6	123.6	172.5	-75.3	-178.2	178.7	0	0	109.3
8	V	51	Low	59.9	Low	60 Å²	60	96.6 Å²	96.6	36%	0.364	51%	0.511	S	S	.	.			trans	158.4	122	142.1	166.7	0	0	0	0	106.3	D10 T803	V8-D10 PolarHBondContact O-N 3.08Å; V8-T803 HydrophobicContact CG2-CG2 4.32Å
9	V	55.2	Low	61.6	Low	33 Å²	33	97.1 Å²	97.1	20%	0.2	51%	0.505	C	S	.	.			trans	-67.2	103.4	165.1	-170.3	0	0	0	0	106	F11 V701 P759	V9-F11 HydrophobicContact CB-CD2 4.46Å; V9-F11 HydrophobicContact CG1-CD2 3.24Å; V9-F11 HydrophobicContact CG1-CE2 3.43Å; V9-F11 VanDerWaalsContact CG1-CE2 3.43Å; V9-F11 HydrophobicContact CG1-CG 4.38Å; V9-F11 PolarHBondContact O-N 3.04Å; V9-V701 HydrophobicContact CG1-CG2 4.09Å; V9-V701 HydrophobicContact CG2-CG2 4.23Å; V9-P759 HydrophobicContact CG2-CB 3.98Å
10	D	63.8	Low	63	Low	103 Å²	103	98.1 Å²	98.1	55%	0.551	51%	0.507	S	S	*	.			trans	-72	76.4	-179.1	-71.8	-30	0	0	0	110.1	V8 R843 P844	V8-D10 PolarHBondContact O-N 3.08Å; D10-R843 WeakPolarHBondContact O-CA 3.5Å; D10-R843 WeakPolarHBondContact O-CG 3.14Å; D10-P844 HydrophobicContact CB-CG 4.06Å; D10-P844 VanDerWaalsContact O-CD 3.22Å; D10-P844 WeakPolarHBondContact O-CD 3.17Å
11	F	74.4	Confident	64	Low	24 Å²	24	94.9 Å²	94.9	11%	0.105	49%	0.491	C	S	.	.			trans	-123.5	140	165.8	-72.3	-67.4	0	0	0	109.5	V9 M757 M841 E842 R843	V9-F11 HydrophobicContact CB-CD2 4.46Å; V9-F11 HydrophobicContact CG1-CD2 3.24Å; V9-F11 HydrophobicContact CG1-CE2 3.43Å; V9-F11 VanDerWaalsContact CG1-CE2 3.43Å; V9-F11 HydrophobicContact CG1-CG 4.38Å; V9-F11 PolarHBondContact O-N 3.04Å; F11-M757 HydrophobicContact CB-CE 3.64Å; F11-M757 HydrophobicContact CB-SD 4.2Å; F11-M757 HydrophobicContact CD2-SD 4.41Å; F11-M841 HydrophobicContact CB-CE 4.03Å; F11-M841 HydrophobicContact CD1-CB 4.21Å; F11-E842 CarbonylContact C-O 3.59Å; F11-E842 VanDerWaalsContact CA-O 3.24Å; F11-E842 WeakPolarHBondContact CA-O 3.28Å; F11-R843 HydrophobicContact CD1-CG 3.59Å; F11-R843 HydrophobicContact CE1-CG 3.37Å; F11-R843 HydrophobicContact CZ-CG 4.13Å
12	T	83.3	Confident	65.7	Low	59 Å²	59	89.7 Å²	89.7	36%	0.362	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.1	170.8	56.6	0	0	0	0	109.9	E842	T12-E842 PolarHBondContact N-O 3.13Å; T12-E842 PolarHBondContact O-N 3.37Å; T12-E842 VanDerWaalsContact O-N 3.09Å; T12-E842 PolarHBondContact OG1-O 3.36Å
13	Y	90	Very high	67.9	Low	27 Å²	27	88.5 Å²	88.5	11%	0.106	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.5	173.7	-65.7	-78.1	0	0	0	109.9	L703 L755 M757 E808 M841	Y13-L703 WeakPolarHBondContact OH-CD2 3.28Å; Y13-L755 HydrophobicContact CD1-CD2 3.76Å; Y13-L755 HydrophobicContact CE1-CD2 3.31Å; Y13-L755 HydrophobicContact CE1-CG 3.83Å; Y13-L755 HydrophobicContact CE2-CG 4.48Å; Y13-M757 WeakPolarHBondContact OH-CB 3.47Å; Y13-M757 PolarHBondContact OH-N 3.2Å; Y13-E808 HydrophobicContact CD2-CB 3.53Å; Y13-E808 HydrophobicContact CE2-CB 4.08Å; Y13-E808 HydrophobicContact CG-CB 3.88Å; Y13-M841 HydrophobicContact CD1-CE 3.58Å; Y13-M841 HydrophobicContact CD1-SD 3.19Å; Y13-M841 WeakPolarHBondContact CD1-SD 3.47Å; Y13-M841 HydrophobicContact CE1-CE 3.42Å; Y13-M841 VanDerWaalsContact CE1-CE 3.42Å; Y13-M841 HydrophobicContact CE1-SD 3.28Å; Y13-M841 WeakPolarHBondContact CE1-SD 3.4Å; Y13-M841 HydrophobicContact CE2-CE 4.49Å; Y13-M841 HydrophobicContact CG-CE 4.17Å; Y13-M841 HydrophobicContact CG-SD 4.17Å
14	S	91.3	Very high	70.2	Confident	35 Å²	35	80.1 Å²	80.1	25%	0.245	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.4	173.7	179.1	0	0	0	0	108.8	V16 Y839 L840 E842	S14-V16 PolarHBondContact O-N 3.02Å; S14-Y839 CarbonylContact O-C 3.51Å; S14-Y839 VanDerWaalsContact O-CA 3.26Å; S14-Y839 WeakPolarHBondContact O-CA 3.49Å; S14-L840 PolarHBondContact N-O 3.28Å; S14-L840 PolarHBondContact O-N 3.11Å; S14-E842 VanDerWaalsContact CB-CD 3.47Å; S14-E842 WeakPolarHBondContact CB-OE1 3.05Å; S14-E842 PolarHBondContact OG-OE1 2.83Å
15	L	92.7	Very high	73.3	Confident	78 Å²	78	80.7 Å²	80.7	41%	0.408	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	120	179.8	177	66.9	0	0	0	110	R837 Y839	L15-R837 HydrophobicContact CD1-CB 4.21Å; L15-R837 HydrophobicContact CD1-CG 3.98Å; L15-Y839 HydrophobicContact CB-CD1 4.13Å; L15-Y839 HydrophobicContact CB-CE1 3.96Å; L15-Y839 HydrophobicContact CD1-CD1 4.15Å; L15-Y839 HydrophobicContact CD1-CE1 3.76Å; L15-Y839 HydrophobicContact CD1-CE2 4.39Å; L15-Y839 HydrophobicContact CG-CE1 4.44Å
16	V	92.5	Very high	76.5	Confident	40 Å²	40	76 Å²	76	24%	0.242	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-52.6	177.1	-178.9	0	0	0	0	111.3	S14 Y52 K53 V838 L840	S14-V16 PolarHBondContact O-N 3.02Å; V16-Y52 HydrophobicContact CG1-CD2 3.89Å; V16-Y52 HydrophobicContact CG1-CE2 3.71Å; V16-Y52 HydrophobicContact CG2-CE2 4.42Å; V16-K53 HydrophobicContact CG1-CG 4.16Å; V16-V838 HydrophobicContact CB-CG1 4.48Å; V16-V838 WeakPolarHBondContact CB-O 3.44Å; V16-V838 PolarHBondContact N-O 3.45Å; V16-L840 HydrophobicContact CG2-CB 4.12Å; V16-L840 HydrophobicContact CG2-CD1 3.51Å; V16-L840 HydrophobicContact CG2-CG 3.52Å
17	E	92	Very high	79.5	Confident	61 Å²	61	70.4 Å²	70.4	29%	0.285	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	141.6	-167.5	-169.2	67.9	-142.9	0	0	110.9	R19 M54 R837 V838	E17-R19 HydrophobicContact CG-CB 4.48Å; E17-M54 HydrophobicContact CG-CB 4.35Å; E17-M54 HydrophobicContact CG-CG 4.19Å; E17-R837 WeakPolarHBondContact O-CA 3.38Å; E17-V838 PolarHBondContact N-O 3.28Å; E17-V838 PolarHBondContact O-N 3.29Å
18	T	93.2	Very high	82.3	Confident	56 Å²	56	64.3 Å²	64.3	34%	0.344	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.2	164.1	-60.4	0	0	0	0	108.1	W812 T835 R837	T18-W812 HydrophobicContact CG2-CH2 4.26Å; T18-W812 HydrophobicContact CG2-CZ3 4.03Å; T18-T835 HydrophobicContact CG2-CG2 4.47Å; T18-R837 HydrophobicContact CG2-CG 4.02Å; T18-R837 WeakPolarHBondContact OG1-CG 3.4Å; T18-R837 PolarHBondContact OG1-NE 3.3Å; T18-R837 VanDerWaalsContact OG1-NE 3.13Å
19	R	92	Very high	84.3	Confident	106 Å²	106	61.9 Å²	61.9	40%	0.4	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.7	-173.3	-167.2	88.9	177.3	-163	0.4	110.4	E17 L21 M54 T835 C836	E17-R19 HydrophobicContact CG-CB 4.48Å; R19-L21 HydrophobicContact CG-CD2 4.19Å; R19-L21 HydrophobicContact CG-CG 4.41Å; R19-M54 HydrophobicContact CB-CB 4.1Å; R19-M54 HydrophobicContact CB-CG 4.06Å; R19-M54 HydrophobicContact CG-CB 3.97Å; R19-M54 HydrophobicContact CG-CG 4.43Å; R19-T835 CarbonylContact O-C 3.47Å; R19-T835 WeakPolarHBondContact O-CA 3.45Å; R19-C836 PolarHBondContact N-O 3.35Å; R19-C836 PolarHBondContact O-N 3.16Å
20	Q	90	Very high	86.2	Confident	118 Å²	118	62.6 Å²	62.6	55%	0.551	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.3	166.7	-172	174.8	12.8	0	0	109.8	V22 S834	Q20-V22 PolarHBondContact O-N 3.15Å; Q20-S834 CarbonylContact C-O 3.59Å
21	L	84	Confident	87.7	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.162	30%	0.296	C	S	.	.			trans	-92.2	92.3	179.7	-65.7	169.7	0	0	0	108.5	R19 K23 I26 L40 M54 S834	R19-L21 HydrophobicContact CG-CD2 4.19Å; R19-L21 HydrophobicContact CG-CG 4.41Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 3.03Å; L21-I26 HydrophobicContact CB-CD1 4.47Å; L21-I26 HydrophobicContact CD1-CD1 3.43Å; L21-I26 VanDerWaalsContact CD1-CD1 3.43Å; L21-I26 HydrophobicContact CD1-CG1 4.41Å; L21-I26 HydrophobicContact CG-CD1 4.49Å; L21-L40 HydrophobicContact CD1-CD1 3.6Å; L21-M54 HydrophobicContact CD1-CE 4.06Å; L21-S834 PolarHBondContact N-O 3.43Å; L21-S834 WeakPolarHBondContact O-CB 3.41Å
22	V	67.1	Low	88.7	Confident	128 Å²	128	57 Å²	57	78%	0.776	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.7	-166.2	-175.6	0	0	0	0	114	Q20	Q20-V22 PolarHBondContact O-N 3.15Å
23	K	71.2	Confident	89	Confident	172 Å²	172	56.5 Å²	56.5	75%	0.748	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-32.1	-165.7	-68.5	-174.1	179.2	179.3	0	114.8	L21	L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 3.03Å
24	T	75.9	Confident	88.9	Confident	40 Å²	40	59.8 Å²	59.8	25%	0.245	30%	0.304	C	S	.	.	S	Bend	trans	-155.9	157.6	-168.2	56.9	0	0	0	0	111.5	S42 S44	T24-S42 WeakPolarHBondContact OG1-CB 3.06Å; T24-S44 VanDerWaalsContact CG2-OG 3.29Å; T24-S44 WeakPolarHBondContact CG2-OG 3.44Å
25	K	90.7	Very high	88.9	Confident	116 Å²	116	60.3 Å²	60.3	50%	0.504	31%	0.306	S	S	.	.			trans	-87.6	127.5	175.2	-64.2	178.5	-179	175.4	0	109.5	S42 D43 H833	K25-S42 CarbonylContact O-C 3.48Å; K25-S42 WeakPolarHBondContact O-CA 2.87Å; K25-S42 WeakPolarHBondContact O-CB 3.44Å; K25-D43 HydrophobicContact CB-CB 4.49Å; K25-D43 WeakPolarHBondContact CB-OD2 3.24Å; K25-D43 PolarHBondContact N-OD1 3.22Å; K25-D43 PolarHBondContact O-N 3Å; K25-H833 HydrophobicContact CB-CB 3.75Å; K25-H833 HydrophobicContact CG-CB 4.12Å
26	I	93	Very high	88.9	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.1	178.4	-55.8	165.2	0	0	0	108.7	L21 A28 C29 L40 L829 H833	L21-I26 HydrophobicContact CB-CD1 4.47Å; L21-I26 HydrophobicContact CD1-CD1 3.43Å; L21-I26 VanDerWaalsContact CD1-CD1 3.43Å; L21-I26 HydrophobicContact CD1-CG1 4.41Å; L21-I26 HydrophobicContact CG-CD1 4.49Å; I26-A28 WeakPolarHBondContact CG2-O 3.49Å; I26-C29 HydrophobicContact CG2-CB 4.4Å; I26-L40 HydrophobicContact CD1-CD1 4.41Å; I26-L40 HydrophobicContact CG2-CD2 4.48Å; I26-L829 HydrophobicContact CB-CD1 4.19Å; I26-L829 HydrophobicContact CB-CD2 4.24Å; I26-L829 HydrophobicContact CD1-CD1 3.86Å; I26-L829 HydrophobicContact CG2-CD2 4.2Å; I26-H833 WeakPolarHBondContact CB-O 3.39Å; I26-H833 WeakPolarHBondContact CG1-O 3.36Å; I26-H833 PolarHBondContact N-O 3.21Å; I26-H833 PolarHBondContact O-ND1 3.02Å
27	V	91.9	Very high	89.1	Confident	54 Å²	54	58.3 Å²	58.3	33%	0.327	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-28.7	178.7	-64.1	0	0	0	0	111.7	G41 S42 D43 V68	V27-G41 WeakPolarHBondContact CG2-O 3.48Å; V27-G41 PolarHBondContact N-O 3.49Å; V27-S42 VanDerWaalsContact CG2-C 3.48Å; V27-D43 HydrophobicContact CG1-CB 3.79Å; V27-V68 HydrophobicContact CG2-CB 4.2Å; V27-V68 WeakPolarHBondContact CG2-O 3.49Å
28	A	92.2	Very high	89.3	Confident	6 Å²	6	55.4 Å²	55.4	5%	0.05	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139	177.4	0	0	0	0	0	110.9	I26 L40 G41 V68 L71	I26-A28 WeakPolarHBondContact CG2-O 3.49Å; A28-L40 CarbonylContact O-C 3.58Å; A28-L40 WeakPolarHBondContact O-CA 3.42Å; A28-G41 PolarHBondContact N-O 3.39Å; A28-G41 PolarHBondContact O-N 3.03Å; A28-V68 HydrophobicContact CB-CG1 4.3Å; A28-L71 HydrophobicContact CB-CB 4.49Å; A28-L71 HydrophobicContact CB-CD1 3.75Å; A28-L71 HydrophobicContact CB-CG 3.86Å
29	C	94.2	Very high	89.5	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	138.7	174.5	53.7	0	0	0	0	109.3	I26 A39 L40 T818 F827	I26-C29 HydrophobicContact CG2-CB 4.4Å; C29-A39 VanDerWaalsContact CA-O 3.29Å; C29-A39 WeakPolarHBondContact CA-O 3.44Å; C29-L40 HydrophobicContact CB-CD2 3.71Å; C29-T818 HydrophobicContact CB-CG2 4.4Å; C29-F827 HydrophobicContact CB-CD1 4.42Å; C29-F827 HydrophobicContact CB-CE1 4.01Å
30	L	94.9	Very high	89.6	Confident	47 Å²	47	47.9 Å²	47.9	25%	0.246	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	130.9	179.5	-170.1	68	0	0	0	111.7	A39 L71 W73	L30-A39 PolarHBondContact N-O 2.82Å; L30-A39 PolarHBondContact O-N 3.46Å; L30-L71 WeakPolarHBondContact CD2-O 3.22Å; L30-W73 PolarHBondContact O-NE1 3Å
31	W	95.4	Very high	89.9	Confident	9 Å²	9	42.3 Å²	42.3	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	145.9	172	-71.3	105.9	0	0	0	112.7	I38 W73 T818 N820 I825 F827 V838	W31-I38 HydrophobicContact CD2-CB 4.03Å; W31-I38 HydrophobicContact CD2-CD1 4.22Å; W31-I38 HydrophobicContact CD2-CG1 4.24Å; W31-I38 HydrophobicContact CE3-CB 3.6Å; W31-I38 HydrophobicContact CE3-CG1 4.32Å; W31-I38 HydrophobicContact CH2-CB 4.09Å; W31-I38 HydrophobicContact CH2-CD1 4.45Å; W31-I38 HydrophobicContact CH2-CG2 4.35Å; W31-I38 HydrophobicContact CZ2-CD1 4.11Å; W31-I38 HydrophobicContact CZ3-CB 3.62Å; W31-I38 HydrophobicContact CZ3-CG2 4.13Å; W31-W73 PolarHBondContact O-NE1 3.35Å; W31-T818 VanDerWaalsContact CD1-C 3.43Å; W31-T818 VanDerWaalsContact CD1-O 3.3Å; W31-T818 HydrophobicContact CG-CG2 4.5Å; W31-T818 PolarHBondContact NE1-O 3.4Å; W31-N820 HydrophobicContact CB-CB 3.91Å; W31-N820 HydrophobicContact CG-CB 4.25Å; W31-I825 HydrophobicContact CD2-CD1 3.76Å; W31-I825 HydrophobicContact CD2-CG1 4.12Å; W31-I825 HydrophobicContact CE3-CD1 3.41Å; W31-I825 VanDerWaalsContact CE3-CD1 3.41Å; W31-I825 HydrophobicContact CE3-CG1 4.27Å; W31-I825 HydrophobicContact CH2-CD1 4Å; W31-I825 HydrophobicContact CZ2-CB 4.27Å; W31-I825 HydrophobicContact CZ2-CD1 4.26Å; W31-I825 HydrophobicContact CZ2-CG1 4.36Å; W31-I825 HydrophobicContact CZ3-CD1 3.57Å; W31-I825 HydrophobicContact CZ3-CG1 4.5Å; W31-F827 HydrophobicContact CZ2-CB 3.72Å; W31-V838 HydrophobicContact CH2-CG1 4.11Å; W31-V838 HydrophobicContact CZ2-CG1 4.08Å; W31-V838 HydrophobicContact CZ2-CG2 4.47Å
32	S	94.3	Very high	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.			trans	-62.3	137.6	164.2	169.3	0	0	0	0	109.3	K34 T35 L37 N820	S32-K34 VanDerWaalsContact C-N 3.27Å; S32-K34 PolarHBondContact O-N 3.14Å; S32-K34 PolarHBondContact OG-N 3.09Å; S32-T35 WeakPolarHBondContact CB-OG1 3.49Å; S32-T35 PolarHBondContact OG-N 2.83Å; S32-T35 PolarHBondContact OG-OG1 3Å; S32-L37 VanDerWaalsContact CB-O 3.29Å; S32-L37 WeakPolarHBondContact CB-O 3.17Å; S32-L37 PolarHBondContact N-O 2.78Å; S32-N820 PolarHBondContact O-ND2 2.98Å
33	P	89.5	Confident	91.7	Very high	49 Å²	49	38.1 Å²	38.1	32%	0.318	19%	0.194	S	C	.	.	S	Bend	trans	-69.2	-24.6	179.4	26.7	-34	0	0	0	112.7	W73 N820	P33-W73 VanDerWaalsContact CD-CB 3.5Å; P33-W73 HydrophobicContact CG-CB 4.27Å; P33-N820 PolarHBondContact O-ND2 3.28Å; P33-N820 VanDerWaalsContact O-ND2 3.17Å
34	K	88.1	Confident	92.7	Very high	96 Å²	96	32.1 Å²	32.1	42%	0.417	17%	0.174	S	C	.	.	S	Bend	trans	-113.1	-25.1	-172.4	-68.8	-160.6	177	176	0	115	S32 P75 R823	S32-K34 VanDerWaalsContact C-N 3.27Å; S32-K34 PolarHBondContact O-N 3.14Å; S32-K34 PolarHBondContact OG-N 3.09Å; K34-P75 WeakPolarHBondContact CE-O 3.47Å; K34-R823 PolarHBondContact O-NE 3.49Å; K34-R823 PolarHBondContact O-NH2 3.24Å
35	T	92	Very high	93.6	Very high	46 Å²	46	30.2 Å²	30.2	28%	0.282	16%	0.162	S	C	.	.	S	Bend	trans	-121	168.3	-171.2	57.8	0	0	0	0	110.8	S32 L37	S32-T35 WeakPolarHBondContact CB-OG1 3.49Å; S32-T35 PolarHBondContact OG-N 2.83Å; S32-T35 PolarHBondContact OG-OG1 3Å; T35-L37 PolarHBondContact O-N 2.68Å; T35-L37 WeakPolarHBondContact OG1-CG 3.38Å
36	D	92.9	Very high	93.8	Very high	57 Å²	57	25 Å²	25	31%	0.305	14%	0.14	S	C	.	.	S	Bend	trans	-77.7	26.9	175.4	67.1	-38.8	0	0	0	112.8	R51 Y52	D36-R51 CarbonylContact O-C 3.59Å; D36-Y52 HydrophobicContact CB-CD1 3.98Å; D36-Y52 PolarHBondContact O-N 2.87Å; D36-Y52 WeakPolarHBondContact OD2-CD1 3.33Å
37	L	95.9	Very high	93.9	Very high	19 Å²	19	24.8 Å²	24.8	10%	0.099	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.1	-174.7	-57.9	-175.3	0	0	0	110.9	S32 T35 V49 H50 R51 I57 W73 V94	S32-L37 VanDerWaalsContact CB-O 3.29Å; S32-L37 WeakPolarHBondContact CB-O 3.17Å; S32-L37 PolarHBondContact N-O 2.78Å; T35-L37 PolarHBondContact O-N 2.68Å; T35-L37 WeakPolarHBondContact OG1-CG 3.38Å; L37-V49 HydrophobicContact CB-CG1 4.05Å; L37-V49 HydrophobicContact CD1-CG1 4.21Å; L37-H50 CarbonylContact C-O 3.55Å; L37-H50 VanDerWaalsContact CA-O 3.31Å; L37-H50 WeakPolarHBondContact CA-O 3.48Å; L37-R51 HydrophobicContact CD2-CG 3.91Å; L37-I57 HydrophobicContact CD1-CD1 4.24Å; L37-I57 HydrophobicContact CD2-CD1 3.3Å; L37-I57 HydrophobicContact CG-CD1 4.38Å; L37-W73 HydrophobicContact CB-CH2 4.14Å; L37-W73 HydrophobicContact CB-CZ2 4.48Å; L37-V94 HydrophobicContact CD1-CG1 3.72Å
38	I	96.3	Very high	94.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.7	172	-170.1	168.7	0	0	0	110.2	W31 L40 V49 H50 M54 T818 F827	W31-I38 HydrophobicContact CD2-CB 4.03Å; W31-I38 HydrophobicContact CD2-CD1 4.22Å; W31-I38 HydrophobicContact CD2-CG1 4.24Å; W31-I38 HydrophobicContact CE3-CB 3.6Å; W31-I38 HydrophobicContact CE3-CG1 4.32Å; W31-I38 HydrophobicContact CH2-CB 4.09Å; W31-I38 HydrophobicContact CH2-CD1 4.45Å; W31-I38 HydrophobicContact CH2-CG2 4.35Å; W31-I38 HydrophobicContact CZ2-CD1 4.11Å; W31-I38 HydrophobicContact CZ3-CB 3.62Å; W31-I38 HydrophobicContact CZ3-CG2 4.13Å; I38-L40 HydrophobicContact CD1-CD2 3.96Å; I38-L40 HydrophobicContact CG1-CD2 3.99Å; I38-V49 CarbonylContact O-C 3.57Å; I38-V49 WeakPolarHBondContact O-CA 3.26Å; I38-H50 HydrophobicContact CG2-CB 3.88Å; I38-H50 PolarHBondContact N-O 2.79Å; I38-H50 PolarHBondContact O-N 3.2Å; I38-M54 HydrophobicContact CG2-SD 4.27Å; I38-T818 HydrophobicContact CD1-CG2 4.1Å; I38-F827 HydrophobicContact CD1-CB 3.83Å; I38-F827 HydrophobicContact CD1-CD1 3.99Å; I38-F827 HydrophobicContact CD1-CD2 3.32Å; I38-F827 HydrophobicContact CD1-CE1 4.35Å; I38-F827 HydrophobicContact CD1-CE2 3.76Å; I38-F827 HydrophobicContact CD1-CG 3.45Å; I38-F827 VanDerWaalsContact CD1-CG 3.45Å; I38-F827 HydrophobicContact CD1-CZ 4.25Å
39	A	97.1	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.6	169.6	0	0	0	0	0	109.7	C29 L30 S48 V49 L71 W73 L80	C29-A39 VanDerWaalsContact CA-O 3.29Å; C29-A39 WeakPolarHBondContact CA-O 3.44Å; L30-A39 PolarHBondContact N-O 2.82Å; L30-A39 PolarHBondContact O-N 3.46Å; A39-S48 CarbonylContact C-O 3.53Å; A39-S48 WeakPolarHBondContact CA-O 3.49Å; A39-V49 HydrophobicContact CB-CG2 4.29Å; A39-L71 HydrophobicContact CB-CD1 4.1Å; A39-W73 HydrophobicContact CB-CZ2 3.6Å; A39-L80 HydrophobicContact CB-CD1 3.61Å; A39-L80 HydrophobicContact CB-CD2 3.65Å; A39-L80 HydrophobicContact CB-CG 4.3Å
40	L	95.6	Very high	94.4	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138	176	-52.3	177.3	0	0	0	109.4	L21 I26 A28 C29 I38 V47 S48 H50 M54 F827	L21-L40 HydrophobicContact CD1-CD1 3.6Å; I26-L40 HydrophobicContact CD1-CD1 4.41Å; I26-L40 HydrophobicContact CG2-CD2 4.48Å; A28-L40 CarbonylContact O-C 3.58Å; A28-L40 WeakPolarHBondContact O-CA 3.42Å; C29-L40 HydrophobicContact CB-CD2 3.71Å; I38-L40 HydrophobicContact CD1-CD2 3.96Å; I38-L40 HydrophobicContact CG1-CD2 3.99Å; L40-V47 WeakPolarHBondContact O-CA 3.27Å; L40-S48 PolarHBondContact N-O 3.03Å; L40-S48 PolarHBondContact O-N 3.5Å; L40-H50 VanDerWaalsContact CD1-CD2 3.49Å; L40-H50 WeakPolarHBondContact CD1-CD2 3.35Å; L40-M54 HydrophobicContact CD1-CE 3.84Å; L40-F827 HydrophobicContact CD2-CE2 4.4Å; L40-F827 HydrophobicContact CD2-CZ 4.06Å
41	G	95.8	Very high	94.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.5	177.4	0	0	0	0	0	110.1	V27 A28 C46	V27-G41 WeakPolarHBondContact CG2-O 3.48Å; V27-G41 PolarHBondContact N-O 3.49Å; A28-G41 PolarHBondContact N-O 3.39Å; A28-G41 PolarHBondContact O-N 3.03Å; G41-C46 CarbonylContact C-O 3.59Å; G41-C46 WeakPolarHBondContact CA-O 3.14Å
42	S	94.8	Very high	94.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	162.3	-177.7	73.1	0	0	0	0	114.2	T24 K25 V27 S44 G45 C46 V68	T24-S42 WeakPolarHBondContact OG1-CB 3.06Å; K25-S42 CarbonylContact O-C 3.48Å; K25-S42 WeakPolarHBondContact O-CA 2.87Å; K25-S42 WeakPolarHBondContact O-CB 3.44Å; V27-S42 VanDerWaalsContact CG2-C 3.48Å; S42-S44 PolarHBondContact O-N 2.75Å; S42-S44 PolarHBondContact OG-N 3.19Å; S42-S44 PolarHBondContact OG-OG 2.87Å; S42-G45 PolarHBondContact O-N 3.39Å; S42-G45 PolarHBondContact OG-N 3.11Å; S42-C46 PolarHBondContact N-O 3.49Å; S42-C46 WeakPolarHBondContact OG-CA 3.37Å; S42-C46 VanDerWaalsContact OG-CB 3.25Å; S42-C46 WeakPolarHBondContact OG-CB 3.4Å; S42-C46 PolarHBondContact OG-N 3.46Å; S42-C46 PolarHBondContact OG-O 2.87Å; S42-V68 PolarHBondContact O-N 3.32Å; S42-V68 VanDerWaalsContact O-N 3.12Å
43	D	93.7	Very high	94.2	Very high	67 Å²	67	33.4 Å²	33.4	36%	0.358	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.6	169.1	64.2	-17.3	0	0	0	113.2	K25 V27 G45 S67	K25-D43 HydrophobicContact CB-CB 4.49Å; K25-D43 WeakPolarHBondContact CB-OD2 3.24Å; K25-D43 PolarHBondContact N-OD1 3.22Å; K25-D43 PolarHBondContact O-N 3Å; V27-D43 HydrophobicContact CG1-CB 3.79Å; D43-G45 VanDerWaalsContact C-N 3.26Å; D43-G45 PolarHBondContact O-N 2.92Å; D43-S67 WeakPolarHBondContact CA-OG 3.37Å; D43-S67 WeakPolarHBondContact O-CA 3.29Å; D43-S67 VanDerWaalsContact O-CB 3.25Å; D43-S67 WeakPolarHBondContact O-CB 3.21Å
44	S	92.7	Very high	94.3	Very high	47 Å²	47	31.1 Å²	31.1	33%	0.329	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.7	176	74.6	0	0	0	0	114.4	T24 S42 S63	T24-S44 VanDerWaalsContact CG2-OG 3.29Å; T24-S44 WeakPolarHBondContact CG2-OG 3.44Å; S42-S44 PolarHBondContact O-N 2.75Å; S42-S44 PolarHBondContact OG-N 3.19Å; S42-S44 PolarHBondContact OG-OG 2.87Å; S44-S63 VanDerWaalsContact O-CA 3.25Å; S44-S63 WeakPolarHBondContact O-CA 3.21Å; S44-S63 VanDerWaalsContact O-CB 3.25Å; S44-S63 WeakPolarHBondContact O-CB 3.49Å
45	G	93.6	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	87.3	12.9	-176.7	0	0	0	0	0	114.9	S42 D43 K62 G66	S42-G45 PolarHBondContact O-N 3.39Å; S42-G45 PolarHBondContact OG-N 3.11Å; D43-G45 VanDerWaalsContact C-N 3.26Å; D43-G45 PolarHBondContact O-N 2.92Å; G45-K62 CarbonylContact O-C 3.53Å; G45-K62 WeakPolarHBondContact O-CA 3.36Å; G45-K62 WeakPolarHBondContact O-CB 3.48Å; G45-K62 PolarHBondContact O-N 3.19Å; G45-G66 WeakPolarHBondContact CA-O 3.33Å
46	C	95.3	Very high	94.7	Very high	5 Å²	5	31 Å²	31	3%	0.034	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134	175.8	-176.8	0	0	0	0	111.2	G41 S42 E59	G41-C46 CarbonylContact C-O 3.59Å; G41-C46 WeakPolarHBondContact CA-O 3.14Å; S42-C46 PolarHBondContact N-O 3.49Å; S42-C46 WeakPolarHBondContact OG-CA 3.37Å; S42-C46 VanDerWaalsContact OG-CB 3.25Å; S42-C46 WeakPolarHBondContact OG-CB 3.4Å; S42-C46 PolarHBondContact OG-N 3.46Å; S42-C46 PolarHBondContact OG-O 2.87Å; C46-E59 VanDerWaalsContact SG-CD 3.56Å; C46-E59 WeakPolarHBondContact SG-CG 3.37Å; C46-E59 PolarHBondContact SG-OE1 3.38Å
47	V	96.6	Very high	94.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.7	173.1	-177.8	0	0	0	0	108.6	L40 W58 C60 V68 L71 L80 A82 F84 F92	L40-V47 WeakPolarHBondContact O-CA 3.27Å; V47-W58 HydrophobicContact CG1-CH2 4.16Å; V47-W58 HydrophobicContact CG1-CZ3 4.17Å; V47-W58 WeakPolarHBondContact O-CZ3 3.31Å; V47-C60 PolarHBondContact N-O 3.12Å; V47-C60 PolarHBondContact O-N 2.99Å; V47-V68 HydrophobicContact CG2-CG2 3.82Å; V47-L71 HydrophobicContact CG1-CD2 4.23Å; V47-L80 HydrophobicContact CG1-CD2 3.91Å; V47-A82 HydrophobicContact CG2-CB 3.87Å; V47-F84 HydrophobicContact CG2-CE1 4.22Å; V47-F84 HydrophobicContact CG2-CZ 4.01Å; V47-F92 HydrophobicContact CB-CZ 4.36Å; V47-F92 HydrophobicContact CG2-CZ 4.21Å
48	S	95.4	Very high	94.7	Very high	13 Å²	13	31.6 Å²	31.6	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.7	179	58.5	0	0	0	0	111.9	A39 L40 H50 W58	A39-S48 CarbonylContact C-O 3.53Å; A39-S48 WeakPolarHBondContact CA-O 3.49Å; L40-S48 PolarHBondContact N-O 3.03Å; L40-S48 PolarHBondContact O-N 3.5Å; S48-H50 WeakPolarHBondContact CB-NE2 3.26Å; S48-H50 PolarHBondContact OG-NE2 3.35Å; S48-W58 WeakPolarHBondContact CA-O 3.49Å
49	V	96.7	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.8	173.6	173.2	0	0	0	0	109.4	L37 I38 A39 I57 W58 W73 L80	L37-V49 HydrophobicContact CB-CG1 4.05Å; L37-V49 HydrophobicContact CD1-CG1 4.21Å; I38-V49 CarbonylContact O-C 3.57Å; I38-V49 WeakPolarHBondContact O-CA 3.26Å; A39-V49 HydrophobicContact CB-CG2 4.29Å; V49-I57 HydrophobicContact CG1-CD1 4.33Å; V49-I57 WeakPolarHBondContact O-CB 3.46Å; V49-I57 PolarHBondContact O-N 3Å; V49-W58 HydrophobicContact CB-CD2 4.29Å; V49-W58 HydrophobicContact CB-CZ2 3.89Å; V49-W58 HydrophobicContact CG2-CD2 4.44Å; V49-W58 HydrophobicContact CG2-CH2 3.7Å; V49-W58 HydrophobicContact CG2-CZ2 3.21Å; V49-W58 HydrophobicContact CG2-CZ3 4.46Å; V49-W58 PolarHBondContact N-O 2.71Å; V49-W73 HydrophobicContact CG1-CH2 4.09Å; V49-W73 HydrophobicContact CG1-CZ2 4.49Å; V49-W73 HydrophobicContact CG2-CH2 4.09Å; V49-W73 HydrophobicContact CG2-CZ2 4.25Å; V49-L80 HydrophobicContact CG2-CD2 3.81Å
50	H	95.2	Very high	94.5	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.5	-177.7	-57.9	-106.9	0	0	0	110	L37 I38 L40 S48 M54 T55 C56	L37-H50 CarbonylContact C-O 3.55Å; L37-H50 VanDerWaalsContact CA-O 3.31Å; L37-H50 WeakPolarHBondContact CA-O 3.48Å; I38-H50 HydrophobicContact CG2-CB 3.88Å; I38-H50 PolarHBondContact N-O 2.79Å; I38-H50 PolarHBondContact O-N 3.2Å; L40-H50 VanDerWaalsContact CD1-CD2 3.49Å; L40-H50 WeakPolarHBondContact CD1-CD2 3.35Å; S48-H50 WeakPolarHBondContact CB-NE2 3.26Å; S48-H50 PolarHBondContact OG-NE2 3.35Å; H50-M54 HydrophobicContact CB-CE 4.46Å; H50-T55 CarbonylContact C-O 3.58Å; H50-T55 VanDerWaalsContact CA-O 3.24Å; H50-T55 WeakPolarHBondContact CA-O 3.47Å; H50-C56 VanDerWaalsContact ND1-CA 3.34Å; H50-C56 WeakPolarHBondContact ND1-CA 3.39Å; H50-C56 PolarHBondContact ND1-N 2.82Å
51	R	94.7	Very high	94.5	Very high	142 Å²	142	42.5 Å²	42.5	54%	0.536	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	168.1	163.6	-64.7	-168.5	179.8	-173	-0.6	110.6	D36 L37 K53 M54 T55 I57	D36-R51 CarbonylContact O-C 3.59Å; L37-R51 HydrophobicContact CD2-CG 3.91Å; R51-K53 PolarHBondContact O-N 3.42Å; R51-K53 VanDerWaalsContact O-N 3.15Å; R51-M54 VanDerWaalsContact O-CA 3.32Å; R51-M54 WeakPolarHBondContact O-CA 3.2Å; R51-M54 PolarHBondContact O-N 3.37Å; R51-T55 PolarHBondContact N-O 3.43Å; R51-I57 HydrophobicContact CG-CD1 3.89Å; R51-I57 HydrophobicContact CG-CG1 4.13Å
52	Y	92.5	Very high	94.3	Very high	37 Å²	37	44.5 Å²	44.5	15%	0.145	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.9	-179.3	80	-78.8	0	0	0	114.7	V16 D36 M54 V838 L840	V16-Y52 HydrophobicContact CG1-CD2 3.89Å; V16-Y52 HydrophobicContact CG1-CE2 3.71Å; V16-Y52 HydrophobicContact CG2-CE2 4.42Å; D36-Y52 HydrophobicContact CB-CD1 3.98Å; D36-Y52 PolarHBondContact O-N 2.87Å; D36-Y52 WeakPolarHBondContact OD2-CD1 3.33Å; Y52-M54 PolarHBondContact O-N 3.36Å; Y52-M54 VanDerWaalsContact O-N 3.16Å; Y52-V838 WeakPolarHBondContact O-CG1 3.5Å; Y52-V838 WeakPolarHBondContact O-CG2 3.4Å; Y52-L840 HydrophobicContact CE2-CD1 4.42Å
53	K	92.9	Very high	94.1	Very high	103 Å²	103	47.7 Å²	47.7	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	16	170.1	-58.2	-169.7	-177.9	-173.3	0	114	V16 R51 T55	V16-K53 HydrophobicContact CG1-CG 4.16Å; R51-K53 PolarHBondContact O-N 3.42Å; R51-K53 VanDerWaalsContact O-N 3.15Å; K53-T55 PolarHBondContact O-N 2.88Å
54	M	93	Very high	94.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.261	C	S	.	.			trans	57.3	30.8	-178.1	-56.3	-56.9	-59.2	0	0	114.6	E17 R19 L21 I38 L40 H50 R51 Y52 F827 V838	E17-M54 HydrophobicContact CG-CB 4.35Å; E17-M54 HydrophobicContact CG-CG 4.19Å; R19-M54 HydrophobicContact CB-CB 4.1Å; R19-M54 HydrophobicContact CB-CG 4.06Å; R19-M54 HydrophobicContact CG-CB 3.97Å; R19-M54 HydrophobicContact CG-CG 4.43Å; L21-M54 HydrophobicContact CD1-CE 4.06Å; I38-M54 HydrophobicContact CG2-SD 4.27Å; L40-M54 HydrophobicContact CD1-CE 3.84Å; H50-M54 HydrophobicContact CB-CE 4.46Å; R51-M54 VanDerWaalsContact O-CA 3.32Å; R51-M54 WeakPolarHBondContact O-CA 3.2Å; R51-M54 PolarHBondContact O-N 3.37Å; Y52-M54 PolarHBondContact O-N 3.36Å; Y52-M54 VanDerWaalsContact O-N 3.16Å; M54-F827 HydrophobicContact CE-CE2 4.02Å; M54-F827 HydrophobicContact SD-CD2 4.29Å; M54-F827 HydrophobicContact SD-CE2 3.94Å; M54-V838 HydrophobicContact CG-CG2 4.07Å; M54-V838 HydrophobicContact SD-CG2 3.84Å
55	T	93.5	Very high	94.2	Very high	81 Å²	81	48.3 Å²	48.3	50%	0.497	25%	0.248	S	C	.	.			trans	-83.1	116.5	169.9	-53.8	0	0	0	0	109.3	H50 R51 K53 I57	H50-T55 CarbonylContact C-O 3.58Å; H50-T55 VanDerWaalsContact CA-O 3.24Å; H50-T55 WeakPolarHBondContact CA-O 3.47Å; R51-T55 PolarHBondContact N-O 3.43Å; K53-T55 PolarHBondContact O-N 2.88Å; T55-I57 PolarHBondContact O-N 2.86Å
56	C	93.7	Very high	94.2	Very high	57 Å²	57	49.5 Å²	49.5	39%	0.385	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126	177.8	-169.5	0	0	0	0	111	H50 W58	H50-C56 VanDerWaalsContact ND1-CA 3.34Å; H50-C56 WeakPolarHBondContact ND1-CA 3.39Å; H50-C56 PolarHBondContact ND1-N 2.82Å; C56-W58 PolarHBondContact SG-O 2.92Å
57	I	95	Very high	94.1	Very high	70 Å²	70	51 Å²	51	36%	0.359	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-49.2	174.2	-57.6	-174.5	0	0	0	109.5	L37 V49 R51 T55	L37-I57 HydrophobicContact CD1-CD1 4.24Å; L37-I57 HydrophobicContact CD2-CD1 3.3Å; L37-I57 HydrophobicContact CG-CD1 4.38Å; V49-I57 HydrophobicContact CG1-CD1 4.33Å; V49-I57 WeakPolarHBondContact O-CB 3.46Å; V49-I57 PolarHBondContact O-N 3Å; R51-I57 HydrophobicContact CG-CD1 3.89Å; R51-I57 HydrophobicContact CG-CG1 4.13Å; T55-I57 PolarHBondContact O-N 2.86Å
58	W	95.6	Very high	94.1	Very high	20 Å²	20	51.2 Å²	51.2	8%	0.076	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159.9	176	56.7	-102.9	0	0	0	110.2	V47 S48 V49 C56 C60 L80 F92 V94	V47-W58 HydrophobicContact CG1-CH2 4.16Å; V47-W58 HydrophobicContact CG1-CZ3 4.17Å; V47-W58 WeakPolarHBondContact O-CZ3 3.31Å; S48-W58 WeakPolarHBondContact CA-O 3.49Å; V49-W58 HydrophobicContact CB-CD2 4.29Å; V49-W58 HydrophobicContact CB-CZ2 3.89Å; V49-W58 HydrophobicContact CG2-CD2 4.44Å; V49-W58 HydrophobicContact CG2-CH2 3.7Å; V49-W58 HydrophobicContact CG2-CZ2 3.21Å; V49-W58 HydrophobicContact CG2-CZ3 4.46Å; V49-W58 PolarHBondContact N-O 2.71Å; C56-W58 PolarHBondContact SG-O 2.92Å; W58-C60 HydrophobicContact CE3-CB 4.34Å; W58-C60 HydrophobicContact CZ3-CB 4.12Å; W58-L80 HydrophobicContact CH2-CD2 3.96Å; W58-L80 HydrophobicContact CZ2-CD2 4.31Å; W58-F92 HydrophobicContact CH2-CB 4.1Å; W58-F92 HydrophobicContact CH2-CD1 4.02Å; W58-F92 HydrophobicContact CH2-CG 4.18Å; W58-F92 HydrophobicContact CZ2-CB 4.42Å; W58-F92 HydrophobicContact CZ3-CD1 4.25Å; W58-V94 PolarHBondContact NE1-O 3.46Å
59	E	94.6	Very high	93.9	Very high	104 Å²	104	52.4 Å²	52.4	49%	0.486	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134	179	-175.2	174	-178.4	0	0	107.7	C46	C46-E59 VanDerWaalsContact SG-CD 3.56Å; C46-E59 WeakPolarHBondContact SG-CG 3.37Å; C46-E59 PolarHBondContact SG-OE1 3.38Å
60	C	94.4	Very high	93.7	Very high	28 Å²	28	54.2 Å²	54.2	19%	0.189	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.7	179.8	-174.1	0	0	0	0	109.2	V47 W58 F92	V47-C60 PolarHBondContact N-O 3.12Å; V47-C60 PolarHBondContact O-N 2.99Å; W58-C60 HydrophobicContact CE3-CB 4.34Å; W58-C60 HydrophobicContact CZ3-CB 4.12Å; C60-F92 HydrophobicContact CB-CE1 4.08Å
61	D	93.9	Very high	93.8	Very high	102 Å²	102	54.5 Å²	54.5	55%	0.545	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.6	176.2	-172.8	6.4	0	0	0	110.6	S63	D61-S63 VanDerWaalsContact OD1-CB 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.18Å; D61-S63 PolarHBondContact OD1-N 3.06Å; D61-S63 PolarHBondContact OD1-OG 2.93Å; D61-S63 VanDerWaalsContact OD1-OG 3.14Å
62	K	92.8	Very high	93.8	Very high	43 Å²	43	48 Å²	48	19%	0.187	27%	0.267	C	S	.	.			trans	-127.3	39.6	175.5	-71	-71.7	-172.3	161.9	0	110.4	G45 D64 L65 F84 E102	G45-K62 CarbonylContact O-C 3.53Å; G45-K62 WeakPolarHBondContact O-CA 3.36Å; G45-K62 WeakPolarHBondContact O-CB 3.48Å; G45-K62 PolarHBondContact O-N 3.19Å; K62-D64 WeakPolarHBondContact CA-OD1 3.24Å; K62-D64 PolarHBondContact O-N 2.91Å; K62-D64 VanDerWaalsContact O-N 3.13Å; K62-L65 HydrophobicContact CB-CD1 4.21Å; K62-L65 HydrophobicContact CB-CG 4.36Å; K62-L65 HydrophobicContact CD-CD1 4.18Å; K62-L65 WeakPolarHBondContact O-CB 3.43Å; K62-L65 PolarHBondContact O-N 3.22Å; K62-F84 HydrophobicContact CB-CE1 3.65Å; K62-F84 HydrophobicContact CB-CZ 3.75Å; K62-F84 HydrophobicContact CG-CE1 4.46Å; K62-F84 HydrophobicContact CG-CZ 4.07Å; K62-E102 IonicContact NZ-OE1 2.71Å
63	S	90.9	Very high	94	Very high	69 Å²	69	46.7 Å²	46.7	48%	0.483	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-55.2	-25.9	178.7	49.4	0	0	0	0	114.2	S44 D61 L65 G66	S44-S63 VanDerWaalsContact O-CA 3.25Å; S44-S63 WeakPolarHBondContact O-CA 3.21Å; S44-S63 VanDerWaalsContact O-CB 3.25Å; S44-S63 WeakPolarHBondContact O-CB 3.49Å; D61-S63 VanDerWaalsContact OD1-CB 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.18Å; D61-S63 PolarHBondContact OD1-N 3.06Å; D61-S63 PolarHBondContact OD1-OG 2.93Å; D61-S63 VanDerWaalsContact OD1-OG 3.14Å; S63-L65 PolarHBondContact O-N 2.92Å; S63-G66 PolarHBondContact O-N 3.3Å; S63-G66 VanDerWaalsContact O-N 3.16Å
64	D	93.9	Very high	94	Very high	120 Å²	120	42 Å²	42	64%	0.642	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.8	-23.6	172.6	66.4	-56.6	0	0	0	113.6	K62	K62-D64 WeakPolarHBondContact CA-OD1 3.24Å; K62-D64 PolarHBondContact O-N 2.91Å; K62-D64 VanDerWaalsContact O-N 3.13Å
65	L	93.6	Very high	93.7	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-94.3	-4.8	179.5	-54.6	-172.5	0	0	0	113.3	K62 S63 F84 S86 K88	K62-L65 HydrophobicContact CB-CD1 4.21Å; K62-L65 HydrophobicContact CB-CG 4.36Å; K62-L65 HydrophobicContact CD-CD1 4.18Å; K62-L65 WeakPolarHBondContact O-CB 3.43Å; K62-L65 PolarHBondContact O-N 3.22Å; S63-L65 PolarHBondContact O-N 2.92Å; L65-F84 HydrophobicContact CB-CB 3.82Å; L65-F84 HydrophobicContact CB-CD1 3.9Å; L65-F84 HydrophobicContact CB-CD2 4.24Å; L65-F84 HydrophobicContact CB-CG 3.72Å; L65-F84 HydrophobicContact CD1-CD2 3.79Å; L65-F84 HydrophobicContact CD1-CE2 3.93Å; L65-F84 HydrophobicContact CD1-CG 4.14Å; L65-F84 HydrophobicContact CD1-CZ 4.38Å; L65-F84 WeakPolarHBondContact O-CB 3.19Å; L65-S86 WeakPolarHBondContact O-CB 3.34Å; L65-S86 PolarHBondContact O-N 2.69Å; L65-S86 VanDerWaalsContact O-N 3.12Å; L65-S86 PolarHBondContact O-OG 3.06Å; L65-K88 HydrophobicContact CD1-CB 4.17Å; L65-K88 HydrophobicContact CD1-CD 4.04Å; L65-K88 HydrophobicContact CD2-CD 3.61Å; L65-K88 HydrophobicContact CD2-CG 4.41Å; L65-K88 HydrophobicContact CG-CD 4.46Å
66	G	93.3	Very high	93.4	Very high	24 Å²	24	40.6 Å²	40.6	25%	0.247	23%	0.233	C	C	.	.			trans	79	-166.9	-176	0	0	0	0	0	114	G45 S63 S85	G45-G66 WeakPolarHBondContact CA-O 3.33Å; S63-G66 PolarHBondContact O-N 3.3Å; S63-G66 VanDerWaalsContact O-N 3.16Å; G66-S85 WeakPolarHBondContact CA-OG 3.39Å
67	S	94.2	Very high	93.3	Very high	38 Å²	38	38.2 Å²	38.2	27%	0.266	22%	0.218	S	C	.	.	S	Bend	trans	-56	142.1	-177.4	179.6	0	0	0	0	112.8	D43 S69 F84 S85	D43-S67 WeakPolarHBondContact CA-OG 3.37Å; D43-S67 WeakPolarHBondContact O-CA 3.29Å; D43-S67 VanDerWaalsContact O-CB 3.25Å; D43-S67 WeakPolarHBondContact O-CB 3.21Å; S67-S69 PolarHBondContact O-N 3.24Å; S67-F84 CarbonylContact O-C 3.59Å; S67-F84 WeakPolarHBondContact O-CA 3.35Å; S67-S85 PolarHBondContact N-OG 2.89Å; S67-S85 VanDerWaalsContact N-OG 3.13Å; S67-S85 PolarHBondContact O-N 3.48Å
68	V	95.5	Very high	93.1	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.9	167.6	-178.8	0	0	0	0	108.8	V27 A28 S42 V47 L71 S83 F84	V27-V68 HydrophobicContact CG2-CB 4.2Å; V27-V68 WeakPolarHBondContact CG2-O 3.49Å; A28-V68 HydrophobicContact CB-CG1 4.3Å; S42-V68 PolarHBondContact O-N 3.32Å; S42-V68 VanDerWaalsContact O-N 3.12Å; V47-V68 HydrophobicContact CG2-CG2 3.82Å; V68-L71 HydrophobicContact CG1-CD2 4.1Å; V68-L71 HydrophobicContact CG1-CG 4.16Å; V68-S83 CarbonylContact C-O 3.57Å; V68-S83 WeakPolarHBondContact CA-O 3.32Å; V68-F84 HydrophobicContact CG2-CD1 4.18Å; V68-F84 HydrophobicContact CG2-CE1 3.88Å
69	S	92.3	Very high	93.1	Very high	39 Å²	39	38 Å²	38	27%	0.273	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-47.6	178.3	56.6	0	0	0	0	112.4	S67 S83	S67-S69 PolarHBondContact O-N 3.24Å; S69-S83 PolarHBondContact N-O 3.24Å; S69-S83 VanDerWaalsContact OG-C 3.31Å; S69-S83 WeakPolarHBondContact OG-CB 3.39Å; S69-S83 PolarHBondContact OG-O 2.86Å; S69-S83 PolarHBondContact OG-OG 3.04Å
70	N	93.1	Very high	93.2	Very high	38 Å²	38	33 Å²	33	20%	0.203	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.1	177.9	-48.4	90.7	0	0	0	111.6	A82 S83 I109 L112	N70-A82 WeakPolarHBondContact O-CA 3.19Å; N70-S83 WeakPolarHBondContact CA-OG 3.45Å; N70-S83 VanDerWaalsContact CB-OG 3.3Å; N70-S83 WeakPolarHBondContact CB-OG 3.27Å; N70-S83 PolarHBondContact N-OG 2.76Å; N70-S83 PolarHBondContact O-N 2.79Å; N70-S83 PolarHBondContact O-OG 3.43Å; N70-S83 PolarHBondContact OD1-OG 2.78Å; N70-I109 PolarHBondContact OD1-O 3.39Å; N70-L112 HydrophobicContact CB-CB 3.74Å; N70-L112 HydrophobicContact CB-CD2 4.33Å
71	L	95.7	Very high	93.3	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.089	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.7	172.1	-67.7	171.9	0	0	0	109.4	A28 L30 A39 V47 V68 L80 T81 A82	A28-L71 HydrophobicContact CB-CB 4.49Å; A28-L71 HydrophobicContact CB-CD1 3.75Å; A28-L71 HydrophobicContact CB-CG 3.86Å; L30-L71 WeakPolarHBondContact CD2-O 3.22Å; A39-L71 HydrophobicContact CB-CD1 4.1Å; V47-L71 HydrophobicContact CG1-CD2 4.23Å; V68-L71 HydrophobicContact CG1-CD2 4.1Å; V68-L71 HydrophobicContact CG1-CG 4.16Å; L71-L80 HydrophobicContact CD2-CD1 4.48Å; L71-T81 CarbonylContact C-O 3.6Å; L71-T81 WeakPolarHBondContact CA-O 3.31Å; L71-A82 HydrophobicContact CD2-CB 3.5Å; L71-A82 VanDerWaalsContact CD2-CB 3.5Å
72	T	95.6	Very high	93.5	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.4	172	-172.2	0	0	0	0	111.2	T81 L112 W114 L181	T72-T81 PolarHBondContact N-O 3.28Å; T72-T81 PolarHBondContact O-N 2.66Å; T72-L112 HydrophobicContact CG2-CB 4.45Å; T72-L112 HydrophobicContact CG2-CD2 3.68Å; T72-L112 HydrophobicContact CG2-CG 3.55Å; T72-W114 HydrophobicContact CG2-CG 4.31Å; T72-W114 PolarHBondContact OG1-N 2.85Å; T72-L181 HydrophobicContact CG2-CD1 4Å
73	W	95.4	Very high	93.7	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.038	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.7	177.3	-71	92.4	0	0	0	110.3	L30 W31 P33 L37 A39 V49 L80 V94 W114	L30-W73 PolarHBondContact O-NE1 3Å; W31-W73 PolarHBondContact O-NE1 3.35Å; P33-W73 VanDerWaalsContact CD-CB 3.5Å; P33-W73 HydrophobicContact CG-CB 4.27Å; L37-W73 HydrophobicContact CB-CH2 4.14Å; L37-W73 HydrophobicContact CB-CZ2 4.48Å; A39-W73 HydrophobicContact CB-CZ2 3.6Å; V49-W73 HydrophobicContact CG1-CH2 4.09Å; V49-W73 HydrophobicContact CG1-CZ2 4.49Å; V49-W73 HydrophobicContact CG2-CH2 4.09Å; V49-W73 HydrophobicContact CG2-CZ2 4.25Å; W73-L80 HydrophobicContact CD2-CD1 3.91Å; W73-L80 HydrophobicContact CE3-CB 4.31Å; W73-L80 HydrophobicContact CG-CD1 4.16Å; W73-L80 HydrophobicContact CZ2-CD1 4.26Å; W73-L80 HydrophobicContact CZ3-CB 4.44Å; W73-V94 HydrophobicContact CE3-CG2 3.87Å; W73-V94 HydrophobicContact CH2-CG1 3.88Å; W73-V94 HydrophobicContact CH2-CG2 4.01Å; W73-V94 HydrophobicContact CZ3-CB 4.04Å; W73-V94 HydrophobicContact CZ3-CG1 3.59Å; W73-V94 HydrophobicContact CZ3-CG2 3.21Å; W73-W114 VanDerWaalsContact C-CD1 3.42Å; W73-W114 VanDerWaalsContact O-CB 3.25Å; W73-W114 WeakPolarHBondContact O-CB 3.43Å
74	R	92.9	Very high	94	Very high	6 Å²	6	21.5 Å²	21.5	2%	0.023	13%	0.125	C	C	.	.			trans	-59.8	143.6	165.7	-168.5	171.6	78.4	-180	2.3	108.3	D76 G77 I79 W114 P179	R74-D76 WeakPolarHBondContact CG-OD1 3.34Å; R74-D76 IonicContact CZ-OD1 3.87Å; R74-D76 IonicContact CZ-OD2 2.78Å; R74-D76 VanDerWaalsContact CZ-OD2 3.23Å; R74-D76 VanDerWaalsContact NE-CG 3.27Å; R74-D76 IonicContact NE-OD1 2.81Å; R74-D76 PolarHBondContact NE-OD1 3.45Å; R74-D76 IonicContact NE-OD2 2.62Å; R74-D76 PolarHBondContact NE-OD2 3.03Å; R74-D76 VanDerWaalsContact NE-OD2 3.1Å; R74-D76 IonicContact NH2-OD1 3.17Å; R74-D76 IonicContact NH2-OD2 3.87Å; R74-D76 PolarHBondContact NH2-OD2 3.13Å; R74-D76 PolarHBondContact O-N 2.85Å; R74-G77 PolarHBondContact O-N 2.83Å; R74-I79 HydrophobicContact CB-CB 3.86Å; R74-I79 WeakPolarHBondContact CB-O 3.14Å; R74-I79 VanDerWaalsContact CZ-CG1 3.46Å; R74-I79 PolarHBondContact N-O 3.22Å; R74-W114 HydrophobicContact CB-CD2 4.23Å; R74-W114 HydrophobicContact CB-CG 4.34Å; R74-W114 HydrophobicContact CG-CD2 4.2Å; R74-W114 HydrophobicContact CG-CE3 4.24Å; R74-W114 HydrophobicContact CG-CH2 4.5Å; R74-W114 HydrophobicContact CG-CZ2 4.46Å; R74-W114 HydrophobicContact CG-CZ3 4.42Å; R74-P179 HydrophobicContact CG-CB 3.97Å
75	P	88.7	Confident	94	Very high	30 Å²	30	18.4 Å²	18.4	20%	0.195	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.3	-168.3	-25.8	39.7	0	0	0	113.9	K34 G77 W114 N116	K34-P75 WeakPolarHBondContact CE-O 3.47Å; P75-G77 VanDerWaalsContact C-N 3.32Å; P75-W114 HydrophobicContact CG-CB 4.27Å; P75-N116 HydrophobicContact CB-CB 3.93Å; P75-N116 HydrophobicContact CG-CB 3.86Å
76	D	87	Confident	94	Very high	21 Å²	21	20.3 Å²	20.3	11%	0.112	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.9	173.1	71	-12.6	0	0	0	114.6	R74 K78	R74-D76 WeakPolarHBondContact CG-OD1 3.34Å; R74-D76 IonicContact CZ-OD1 3.87Å; R74-D76 IonicContact CZ-OD2 2.78Å; R74-D76 VanDerWaalsContact CZ-OD2 3.23Å; R74-D76 VanDerWaalsContact NE-CG 3.27Å; R74-D76 IonicContact NE-OD1 2.81Å; R74-D76 PolarHBondContact NE-OD1 3.45Å; R74-D76 IonicContact NE-OD2 2.62Å; R74-D76 PolarHBondContact NE-OD2 3.03Å; R74-D76 VanDerWaalsContact NE-OD2 3.1Å; R74-D76 IonicContact NH2-OD1 3.17Å; R74-D76 IonicContact NH2-OD2 3.87Å; R74-D76 PolarHBondContact NH2-OD2 3.13Å; R74-D76 PolarHBondContact O-N 2.85Å; D76-K78 PolarHBondContact O-N 3.41Å; D76-K78 PolarHBondContact OD1-N 3.33Å; D76-K78 VanDerWaalsContact OD1-N 3.13Å
77	G	90.7	Very high	94.1	Very high	7 Å²	7	19.2 Å²	19.2	7%	0.072	12%	0.115	C	C	.	.	S	Bend	trans	71.9	7.3	179.5	0	0	0	0	0	114.9	R74 P75	R74-G77 PolarHBondContact O-N 2.83Å; P75-G77 VanDerWaalsContact C-N 3.32Å
78	K	91.3	Very high	94.2	Very high	84 Å²	84	20.1 Å²	20.1	37%	0.365	11%	0.114	S	C	.	.	S	Bend	trans	-92.3	-25.8	-175.6	-64.1	-173.6	179.4	176	0	114	D76 V94 D171	D76-K78 PolarHBondContact O-N 3.41Å; D76-K78 PolarHBondContact OD1-N 3.33Å; D76-K78 VanDerWaalsContact OD1-N 3.13Å; K78-V94 WeakPolarHBondContact O-CB 3.16Å; K78-V94 WeakPolarHBondContact O-CG2 3.49Å; K78-V94 PolarHBondContact O-N 3.19Å; K78-V94 VanDerWaalsContact O-N 3.08Å; K78-D171 VanDerWaalsContact CD-OD2 3.3Å; K78-D171 WeakPolarHBondContact CD-OD2 3.04Å; K78-D171 IonicContact NZ-OD1 3.02Å; K78-D171 PolarHBondContact NZ-OD1 2.93Å; K78-D171 IonicContact NZ-OD2 3.57Å
79	I	94.6	Very high	94.3	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	-179.5	-57.8	-56.1	0	0	0	109.4	R74 F91 F92 V93 F100 L168	R74-I79 HydrophobicContact CB-CB 3.86Å; R74-I79 WeakPolarHBondContact CB-O 3.14Å; R74-I79 VanDerWaalsContact CZ-CG1 3.46Å; R74-I79 PolarHBondContact N-O 3.22Å; I79-F91 HydrophobicContact CG2-CB 4.28Å; I79-F91 HydrophobicContact CG2-CD1 4.24Å; I79-F92 WeakPolarHBondContact CA-O 3.31Å; I79-V93 HydrophobicContact CD1-CG2 4.24Å; I79-F100 HydrophobicContact CD1-CD1 4.34Å; I79-F100 HydrophobicContact CD1-CE1 3.59Å; I79-F100 HydrophobicContact CD1-CZ 4.26Å; I79-F100 HydrophobicContact CG1-CE1 4.23Å; I79-F100 HydrophobicContact CG2-CE1 3.97Å; I79-F100 HydrophobicContact CG2-CZ 4.42Å; I79-L168 HydrophobicContact CD1-CD2 3.67Å
80	L	97.2	Very high	94.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.7	167.9	173.3	69	0	0	0	108.3	A39 V47 V49 W58 L71 W73 F92 V94	A39-L80 HydrophobicContact CB-CD1 3.61Å; A39-L80 HydrophobicContact CB-CD2 3.65Å; A39-L80 HydrophobicContact CB-CG 4.3Å; V47-L80 HydrophobicContact CG1-CD2 3.91Å; V49-L80 HydrophobicContact CG2-CD2 3.81Å; W58-L80 HydrophobicContact CH2-CD2 3.96Å; W58-L80 HydrophobicContact CZ2-CD2 4.31Å; L71-L80 HydrophobicContact CD2-CD1 4.48Å; W73-L80 HydrophobicContact CD2-CD1 3.91Å; W73-L80 HydrophobicContact CE3-CB 4.31Å; W73-L80 HydrophobicContact CG-CD1 4.16Å; W73-L80 HydrophobicContact CZ2-CD1 4.26Å; W73-L80 HydrophobicContact CZ3-CB 4.44Å; L80-F92 HydrophobicContact CB-CB 4.29Å; L80-F92 PolarHBondContact N-O 3.34Å; L80-F92 PolarHBondContact O-N 3.3Å; L80-V94 HydrophobicContact CB-CG2 4.11Å
81	T	97.8	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.1	175.2	-54.5	0	0	0	0	109.1	L71 T72 V89 C90 F91 L112 W114	L71-T81 CarbonylContact C-O 3.6Å; L71-T81 WeakPolarHBondContact CA-O 3.31Å; T72-T81 PolarHBondContact N-O 3.28Å; T72-T81 PolarHBondContact O-N 2.66Å; T81-V89 HydrophobicContact CG2-CG1 3.26Å; T81-C90 WeakPolarHBondContact CA-O 3.47Å; T81-F91 HydrophobicContact CG2-CD1 4.22Å; T81-F91 HydrophobicContact CG2-CD2 4.33Å; T81-F91 HydrophobicContact CG2-CE1 4.15Å; T81-F91 HydrophobicContact CG2-CE2 4.24Å; T81-F91 HydrophobicContact CG2-CG 4.31Å; T81-F91 HydrophobicContact CG2-CZ 4.17Å; T81-F91 WeakPolarHBondContact OG1-CD1 3.43Å; T81-L112 HydrophobicContact CG2-CD2 4.02Å; T81-W114 PolarHBondContact OG1-NE1 3.4Å
82	A	97.6	Very high	94.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.8	175.3	0	0	0	0	0	110.1	V47 N70 L71 F84 V89 C90 F92	V47-A82 HydrophobicContact CG2-CB 3.87Å; N70-A82 WeakPolarHBondContact O-CA 3.19Å; L71-A82 HydrophobicContact CD2-CB 3.5Å; L71-A82 VanDerWaalsContact CD2-CB 3.5Å; A82-F84 HydrophobicContact CB-CE2 4.26Å; A82-F84 HydrophobicContact CB-CZ 4.27Å; A82-V89 CarbonylContact O-C 3.59Å; A82-V89 VanDerWaalsContact O-CA 3.29Å; A82-V89 WeakPolarHBondContact O-CA 3.39Å; A82-C90 PolarHBondContact N-O 2.98Å; A82-C90 PolarHBondContact O-N 3.01Å; A82-F92 HydrophobicContact CB-CD2 4.43Å; A82-F92 HydrophobicContact CB-CE2 3.68Å; A82-F92 HydrophobicContact CB-CZ 4.48Å
83	S	96.9	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.3	170.5	53.4	0	0	0	0	110.4	V68 S69 N70 K88	V68-S83 CarbonylContact C-O 3.57Å; V68-S83 WeakPolarHBondContact CA-O 3.32Å; S69-S83 PolarHBondContact N-O 3.24Å; S69-S83 VanDerWaalsContact OG-C 3.31Å; S69-S83 WeakPolarHBondContact OG-CB 3.39Å; S69-S83 PolarHBondContact OG-O 2.86Å; S69-S83 PolarHBondContact OG-OG 3.04Å; N70-S83 WeakPolarHBondContact CA-OG 3.45Å; N70-S83 VanDerWaalsContact CB-OG 3.3Å; N70-S83 WeakPolarHBondContact CB-OG 3.27Å; N70-S83 PolarHBondContact N-OG 2.76Å; N70-S83 PolarHBondContact O-N 2.79Å; N70-S83 PolarHBondContact O-OG 3.43Å; N70-S83 PolarHBondContact OD1-OG 2.78Å; S83-K88 CarbonylContact C-O 3.49Å; S83-K88 WeakPolarHBondContact CA-O 3.28Å
84	F	96.6	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158.2	-175.5	-59.3	-90.7	0	0	0	111.1	V47 K62 L65 S67 V68 A82 S86 G87 K88 C90 F92	V47-F84 HydrophobicContact CG2-CE1 4.22Å; V47-F84 HydrophobicContact CG2-CZ 4.01Å; K62-F84 HydrophobicContact CB-CE1 3.65Å; K62-F84 HydrophobicContact CB-CZ 3.75Å; K62-F84 HydrophobicContact CG-CE1 4.46Å; K62-F84 HydrophobicContact CG-CZ 4.07Å; L65-F84 HydrophobicContact CB-CB 3.82Å; L65-F84 HydrophobicContact CB-CD1 3.9Å; L65-F84 HydrophobicContact CB-CD2 4.24Å; L65-F84 HydrophobicContact CB-CG 3.72Å; L65-F84 HydrophobicContact CD1-CD2 3.79Å; L65-F84 HydrophobicContact CD1-CE2 3.93Å; L65-F84 HydrophobicContact CD1-CG 4.14Å; L65-F84 HydrophobicContact CD1-CZ 4.38Å; L65-F84 WeakPolarHBondContact O-CB 3.19Å; S67-F84 CarbonylContact O-C 3.59Å; S67-F84 WeakPolarHBondContact O-CA 3.35Å; V68-F84 HydrophobicContact CG2-CD1 4.18Å; V68-F84 HydrophobicContact CG2-CE1 3.88Å; A82-F84 HydrophobicContact CB-CE2 4.26Å; A82-F84 HydrophobicContact CB-CZ 4.27Å; F84-S86 PolarHBondContact O-N 2.71Å; F84-S86 VanDerWaalsContact O-N 3.11Å; F84-G87 PolarHBondContact O-N 2.85Å; F84-K88 HydrophobicContact CD2-CB 4.5Å; F84-K88 PolarHBondContact N-O 3.12Å; F84-C90 HydrophobicContact CE2-CB 3.93Å; F84-F92 HydrophobicContact CZ-CZ 4.36Å
85	S	94.1	Very high	94.2	Very high	55 Å²	55	18.8 Å²	18.8	39%	0.385	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.9	175.7	59.7	0	0	0	0	114.2	G66 S67 G87 T108	G66-S85 WeakPolarHBondContact CA-OG 3.39Å; S67-S85 PolarHBondContact N-OG 2.89Å; S67-S85 VanDerWaalsContact N-OG 3.13Å; S67-S85 PolarHBondContact O-N 3.48Å; S85-G87 PolarHBondContact O-N 2.88Å; S85-T108 WeakPolarHBondContact O-CG2 3.47Å
86	S	94.4	Very high	94.2	Very high	48 Å²	48	20.6 Å²	20.6	34%	0.336	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-6.6	169.8	55.9	0	0	0	0	115	L65 F84 K88 Q104	L65-S86 WeakPolarHBondContact O-CB 3.34Å; L65-S86 PolarHBondContact O-N 2.69Å; L65-S86 VanDerWaalsContact O-N 3.12Å; L65-S86 PolarHBondContact O-OG 3.06Å; F84-S86 PolarHBondContact O-N 2.71Å; F84-S86 VanDerWaalsContact O-N 3.11Å; S86-K88 VanDerWaalsContact C-N 3.27Å; S86-Q104 PolarHBondContact O-NE2 2.98Å
87	G	94	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	80.1	6.2	-172.7	0	0	0	0	0	114	F84 S85 F105 S107	F84-G87 PolarHBondContact O-N 2.85Å; S85-G87 PolarHBondContact O-N 2.88Å; G87-F105 WeakPolarHBondContact O-CB 3.49Å; G87-F105 PolarHBondContact O-N 2.82Å; G87-S107 WeakPolarHBondContact CA-O 3.37Å
88	K	96.5	Very high	94.5	Very high	58 Å²	58	21.3 Å²	21.3	25%	0.252	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	146.6	170.2	-75	-159.6	-166.6	175.2	0	111.7	L65 S83 F84 S86 L103 Q104	L65-K88 HydrophobicContact CD1-CB 4.17Å; L65-K88 HydrophobicContact CD1-CD 4.04Å; L65-K88 HydrophobicContact CD2-CD 3.61Å; L65-K88 HydrophobicContact CD2-CG 4.41Å; L65-K88 HydrophobicContact CG-CD 4.46Å; S83-K88 CarbonylContact C-O 3.49Å; S83-K88 WeakPolarHBondContact CA-O 3.28Å; F84-K88 HydrophobicContact CD2-CB 4.5Å; F84-K88 PolarHBondContact N-O 3.12Å; S86-K88 VanDerWaalsContact C-N 3.27Å; K88-L103 CarbonylContact C-O 3.54Å; K88-L103 WeakPolarHBondContact CA-O 3.3Å; K88-Q104 VanDerWaalsContact CE-OE1 3.29Å
89	V	97.4	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.7	172.4	-176.7	0	0	0	0	108.2	T81 A82 F91 E102 L103 F105 I109 L112	T81-V89 HydrophobicContact CG2-CG1 3.26Å; A82-V89 CarbonylContact O-C 3.59Å; A82-V89 VanDerWaalsContact O-CA 3.29Å; A82-V89 WeakPolarHBondContact O-CA 3.39Å; V89-F91 HydrophobicContact CG1-CE2 4.05Å; V89-E102 CarbonylContact O-C 3.56Å; V89-E102 WeakPolarHBondContact O-CA 3.11Å; V89-L103 HydrophobicContact CB-CB 4.26Å; V89-L103 PolarHBondContact N-O 3.01Å; V89-L103 PolarHBondContact O-N 3.39Å; V89-F105 HydrophobicContact CG2-CD2 3.93Å; V89-F105 HydrophobicContact CG2-CE2 3.83Å; V89-I109 HydrophobicContact CG2-CD1 4.29Å; V89-I109 HydrophobicContact CG2-CG1 3.73Å; V89-L112 HydrophobicContact CG1-CD1 4.35Å; V89-L112 HydrophobicContact CG1-CD2 4.45Å
90	C	97.5	Very high	94.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.6	-179.6	-63.4	0	0	0	0	110.9	T81 A82 F84 F92 V99	T81-C90 WeakPolarHBondContact CA-O 3.47Å; A82-C90 PolarHBondContact N-O 2.98Å; A82-C90 PolarHBondContact O-N 3.01Å; F84-C90 HydrophobicContact CE2-CB 3.93Å; C90-F92 HydrophobicContact CB-CD2 4.37Å; C90-F92 HydrophobicContact CB-CE2 3.53Å; C90-F92 HydrophobicContact CB-CZ 3.77Å; C90-V99 HydrophobicContact CB-CG1 4.02Å
91	F	97.3	Very high	94.4	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.4	179.5	-63.5	-114.5	0	0	0	109.7	I79 T81 V89 V99 F100 H101 L103 W114 L181	I79-F91 HydrophobicContact CG2-CB 4.28Å; I79-F91 HydrophobicContact CG2-CD1 4.24Å; T81-F91 HydrophobicContact CG2-CD1 4.22Å; T81-F91 HydrophobicContact CG2-CD2 4.33Å; T81-F91 HydrophobicContact CG2-CE1 4.15Å; T81-F91 HydrophobicContact CG2-CE2 4.24Å; T81-F91 HydrophobicContact CG2-CG 4.31Å; T81-F91 HydrophobicContact CG2-CZ 4.17Å; T81-F91 WeakPolarHBondContact OG1-CD1 3.43Å; V89-F91 HydrophobicContact CG1-CE2 4.05Å; F91-V99 WeakPolarHBondContact O-CA 3.46Å; F91-F100 HydrophobicContact CB-CD1 4.05Å; F91-F100 HydrophobicContact CB-CE1 3.46Å; F91-F100 VanDerWaalsContact CB-CE1 3.46Å; F91-F100 HydrophobicContact CB-CZ 3.74Å; F91-F100 HydrophobicContact CD1-CZ 4.35Å; F91-F100 HydrophobicContact CG-CZ 4.36Å; F91-F100 VanDerWaalsContact O-CD1 3.3Å; F91-F100 WeakPolarHBondContact O-CD1 3.33Å; F91-F100 PolarHBondContact O-N 3.23Å; F91-F100 VanDerWaalsContact O-N 3.08Å; F91-H101 HydrophobicContact CB-CB 4.14Å; F91-H101 HydrophobicContact CD2-CB 4.09Å; F91-H101 AromaticContact CD2-CD2 3.79Å; F91-H101 WeakPolarHBondContact CD2-O 3.45Å; F91-H101 AromaticContact CE2-CD2 3.69Å; F91-H101 HydrophobicContact CG-CB 4.21Å; F91-H101 PolarHBondContact N-O 2.8Å; F91-L103 HydrophobicContact CE2-CD1 3.89Å; F91-L103 HydrophobicContact CE2-CG 3.94Å; F91-L103 HydrophobicContact CZ-CD1 3.87Å; F91-L103 HydrophobicContact CZ-CG 4.39Å; F91-W114 AromaticContact CD1-CZ2 3.99Å; F91-W114 HydrophobicContact CD1-CZ2 3.99Å; F91-W114 HydrophobicContact CE1-CH2 4.22Å; F91-W114 AromaticContact CE1-CZ2 3.56Å; F91-W114 HydrophobicContact CE1-CZ2 3.56Å; F91-L181 HydrophobicContact CE1-CD2 3.92Å; F91-L181 HydrophobicContact CZ-CD2 3.55Å
92	F	95.9	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	-174.4	-58.6	-99.6	0	0	0	110.5	V47 W58 C60 I79 L80 A82 F84 C90 G97 F98 V99	V47-F92 HydrophobicContact CB-CZ 4.36Å; V47-F92 HydrophobicContact CG2-CZ 4.21Å; W58-F92 HydrophobicContact CH2-CB 4.1Å; W58-F92 HydrophobicContact CH2-CD1 4.02Å; W58-F92 HydrophobicContact CH2-CG 4.18Å; W58-F92 HydrophobicContact CZ2-CB 4.42Å; W58-F92 HydrophobicContact CZ3-CD1 4.25Å; C60-F92 HydrophobicContact CB-CE1 4.08Å; I79-F92 WeakPolarHBondContact CA-O 3.31Å; L80-F92 HydrophobicContact CB-CB 4.29Å; L80-F92 PolarHBondContact N-O 3.34Å; L80-F92 PolarHBondContact O-N 3.3Å; A82-F92 HydrophobicContact CB-CD2 4.43Å; A82-F92 HydrophobicContact CB-CE2 3.68Å; A82-F92 HydrophobicContact CB-CZ 4.48Å; F84-F92 HydrophobicContact CZ-CZ 4.36Å; C90-F92 HydrophobicContact CB-CD2 4.37Å; C90-F92 HydrophobicContact CB-CE2 3.53Å; C90-F92 HydrophobicContact CB-CZ 3.77Å; F92-G97 WeakPolarHBondContact CD1-O 3.43Å; F92-F98 CarbonylContact C-O 3.56Å; F92-F98 WeakPolarHBondContact CA-O 3.26Å; F92-V99 HydrophobicContact CD1-CG2 3.52Å; F92-V99 HydrophobicContact CE1-CG2 3.33Å; F92-V99 HydrophobicContact CG-CG2 4.24Å; F92-V99 HydrophobicContact CZ-CG2 3.91Å
93	V	94	Very high	94.2	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.5	165.1	-177.3	0	0	0	0	108.3	I79 G95 D96 G97 F98 F100 L168	I79-V93 HydrophobicContact CD1-CG2 4.24Å; V93-G95 PolarHBondContact O-N 2.84Å; V93-D96 PolarHBondContact O-N 3.13Å; V93-G97 WeakPolarHBondContact O-CA 3.46Å; V93-G97 PolarHBondContact O-N 3.48Å; V93-F98 HydrophobicContact CB-CB 4.28Å; V93-F98 HydrophobicContact CG2-CB 4.4Å; V93-F98 HydrophobicContact CG2-CD1 4.04Å; V93-F98 PolarHBondContact N-O 2.76Å; V93-F100 HydrophobicContact CG2-CD1 3.92Å; V93-L168 HydrophobicContact CG2-CD1 4.27Å; V93-L168 HydrophobicContact CG2-CD2 4.11Å; V93-L168 HydrophobicContact CG2-CG 4.48Å
94	V	91.9	Very high	94	Very high	13 Å²	13	30.5 Å²	30.5	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.5	-169.8	170.4	0	0	0	0	113	L37 W58 W73 K78 L80 D96	L37-V94 HydrophobicContact CD1-CG1 3.72Å; W58-V94 PolarHBondContact NE1-O 3.46Å; W73-V94 HydrophobicContact CE3-CG2 3.87Å; W73-V94 HydrophobicContact CH2-CG1 3.88Å; W73-V94 HydrophobicContact CH2-CG2 4.01Å; W73-V94 HydrophobicContact CZ3-CB 4.04Å; W73-V94 HydrophobicContact CZ3-CG1 3.59Å; W73-V94 HydrophobicContact CZ3-CG2 3.21Å; K78-V94 WeakPolarHBondContact O-CB 3.16Å; K78-V94 WeakPolarHBondContact O-CG2 3.49Å; K78-V94 PolarHBondContact O-N 3.19Å; K78-V94 VanDerWaalsContact O-N 3.08Å; L80-V94 HydrophobicContact CB-CG2 4.11Å; V94-D96 VanDerWaalsContact C-N 3.32Å; V94-D96 PolarHBondContact O-N 3.37Å
95	G	87.1	Confident	93.9	Very high	62 Å²	62	31 Å²	31	64%	0.639	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-36	-179.2	0	0	0	0	0	113.9	V93	V93-G95 PolarHBondContact O-N 2.84Å
96	D	88.3	Confident	93.5	Very high	68 Å²	68	32.6 Å²	32.6	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.9	1.3	-170	68.6	-14.3	0	0	0	115.2	V93 V94 F98 K164	V93-D96 PolarHBondContact O-N 3.13Å; V94-D96 VanDerWaalsContact C-N 3.32Å; V94-D96 PolarHBondContact O-N 3.37Å; D96-F98 WeakPolarHBondContact OD1-CB 3.47Å; D96-F98 PolarHBondContact OD1-N 3.47Å; D96-K164 WeakPolarHBondContact OD2-CD 3.24Å; D96-K164 WeakPolarHBondContact OD2-CE 3.43Å; D96-K164 IonicContact OD2-NZ 2.78Å; D96-K164 PolarHBondContact OD2-NZ 3.04Å
97	G	92.3	Very high	93.2	Very high	8 Å²	8	31.7 Å²	31.7	8%	0.082	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.7	-178.2	0	0	0	0	0	114.3	F92 V93 V99	F92-G97 WeakPolarHBondContact CD1-O 3.43Å; V93-G97 WeakPolarHBondContact O-CA 3.46Å; V93-G97 PolarHBondContact O-N 3.48Å; G97-V99 PolarHBondContact O-N 2.82Å
98	F	92.1	Very high	92.9	Very high	35 Å²	35	34.5 Å²	34.5	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.6	177.8	176.4	-106.7	0	0	0	112.2	F92 V93 D96 F100 D161 K164 Y165	F92-F98 CarbonylContact C-O 3.56Å; F92-F98 WeakPolarHBondContact CA-O 3.26Å; V93-F98 HydrophobicContact CB-CB 4.28Å; V93-F98 HydrophobicContact CG2-CB 4.4Å; V93-F98 HydrophobicContact CG2-CD1 4.04Å; V93-F98 PolarHBondContact N-O 2.76Å; D96-F98 WeakPolarHBondContact OD1-CB 3.47Å; D96-F98 PolarHBondContact OD1-N 3.47Å; F98-F100 HydrophobicContact CD1-CB 3.95Å; F98-F100 HydrophobicContact CE1-CB 3.63Å; F98-F100 PolarHBondContact O-N 2.82Å; F98-D161 VanDerWaalsContact CD2-OD1 3.3Å; F98-D161 WeakPolarHBondContact CD2-OD1 3.38Å; F98-D161 HydrophobicContact CE2-CB 3.95Å; F98-D161 VanDerWaalsContact CE2-OD1 3.25Å; F98-D161 WeakPolarHBondContact CE2-OD1 3.38Å; F98-D161 HydrophobicContact CZ-CB 4.14Å; F98-K164 HydrophobicContact CB-CD 3.48Å; F98-K164 VanDerWaalsContact CB-CD 3.48Å; F98-K164 HydrophobicContact CD1-CB 4.05Å; F98-K164 HydrophobicContact CD1-CD 3.74Å; F98-K164 HydrophobicContact CD2-CD 3.99Å; F98-K164 HydrophobicContact CE1-CB 4.35Å; F98-K164 HydrophobicContact CE1-CD 4.46Å; F98-K164 HydrophobicContact CG-CD 3.46Å; F98-K164 VanDerWaalsContact CG-CD 3.46Å; F98-Y165 HydrophobicContact CE1-CD2 4.32Å; F98-Y165 HydrophobicContact CE1-CE1 4.3Å; F98-Y165 AromaticContact CE1-CE2 3.86Å; F98-Y165 HydrophobicContact CE1-CE2 3.86Å; F98-Y165 AromaticContact CE1-CZ 3.85Å; F98-Y165 HydrophobicContact CZ-CD2 4.28Å; F98-Y165 AromaticContact CZ-CE2 3.55Å; F98-Y165 HydrophobicContact CZ-CE2 3.55Å; F98-Y165 AromaticContact CZ-CZ 3.78Å
99	V	93.5	Very high	92.7	Very high	32 Å²	32	31.9 Å²	31.9	19%	0.194	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	110.5	175.9	-178.4	0	0	0	0	109.8	C90 F91 F92 G97 E102	C90-V99 HydrophobicContact CB-CG1 4.02Å; F91-V99 WeakPolarHBondContact O-CA 3.46Å; F92-V99 HydrophobicContact CD1-CG2 3.52Å; F92-V99 HydrophobicContact CE1-CG2 3.33Å; F92-V99 HydrophobicContact CG-CG2 4.24Å; F92-V99 HydrophobicContact CZ-CG2 3.91Å; G97-V99 PolarHBondContact O-N 2.82Å; V99-E102 HydrophobicContact CG1-CG 3.95Å
100	F	92.5	Very high	92.1	Very high	12 Å²	12	35.2 Å²	35.2	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-19.2	-177	77	-89.8	0	0	0	113.6	I79 F91 V93 F98 Y165 L168 Y272 I276	I79-F100 HydrophobicContact CD1-CD1 4.34Å; I79-F100 HydrophobicContact CD1-CE1 3.59Å; I79-F100 HydrophobicContact CD1-CZ 4.26Å; I79-F100 HydrophobicContact CG1-CE1 4.23Å; I79-F100 HydrophobicContact CG2-CE1 3.97Å; I79-F100 HydrophobicContact CG2-CZ 4.42Å; F91-F100 HydrophobicContact CB-CD1 4.05Å; F91-F100 HydrophobicContact CB-CE1 3.46Å; F91-F100 VanDerWaalsContact CB-CE1 3.46Å; F91-F100 HydrophobicContact CB-CZ 3.74Å; F91-F100 HydrophobicContact CD1-CZ 4.35Å; F91-F100 HydrophobicContact CG-CZ 4.36Å; F91-F100 VanDerWaalsContact O-CD1 3.3Å; F91-F100 WeakPolarHBondContact O-CD1 3.33Å; F91-F100 PolarHBondContact O-N 3.23Å; F91-F100 VanDerWaalsContact O-N 3.08Å; V93-F100 HydrophobicContact CG2-CD1 3.92Å; F98-F100 HydrophobicContact CD1-CB 3.95Å; F98-F100 HydrophobicContact CE1-CB 3.63Å; F98-F100 PolarHBondContact O-N 2.82Å; F100-Y165 HydrophobicContact CB-CE1 3.89Å; F100-L168 HydrophobicContact CB-CD1 3.66Å; F100-L168 HydrophobicContact CD1-CD1 3.91Å; F100-L168 HydrophobicContact CD1-CD2 4.5Å; F100-L168 HydrophobicContact CD2-CD1 3.67Å; F100-L168 HydrophobicContact CE1-CD1 4.47Å; F100-L168 HydrophobicContact CE1-CD2 4.44Å; F100-L168 HydrophobicContact CE2-CD1 4.27Å; F100-L168 HydrophobicContact CG-CD1 3.46Å; F100-L168 VanDerWaalsContact CG-CD1 3.46Å; F100-Y272 AromaticContact CE2-CE2 3.87Å; F100-Y272 HydrophobicContact CE2-CE2 3.87Å; F100-Y272 HydrophobicContact CZ-CE2 4.2Å; F100-I276 HydrophobicContact CD2-CD1 3.63Å; F100-I276 HydrophobicContact CE2-CD1 3.96Å
101	H	94.3	Very high	91.5	Very high	19 Å²	19	37.6 Å²	37.6	9%	0.088	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.6	-177.6	-173.2	45.4	0	0	0	111.3	F91 L103	F91-H101 HydrophobicContact CB-CB 4.14Å; F91-H101 HydrophobicContact CD2-CB 4.09Å; F91-H101 AromaticContact CD2-CD2 3.79Å; F91-H101 WeakPolarHBondContact CD2-O 3.45Å; F91-H101 AromaticContact CE2-CD2 3.69Å; F91-H101 HydrophobicContact CG-CB 4.21Å; F91-H101 PolarHBondContact N-O 2.8Å; H101-L103 WeakPolarHBondContact NE2-CD2 3.46Å
102	E	95.3	Very high	91.2	Very high	80 Å²	80	38 Å²	38	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144	176.5	-59.8	-172.8	167.2	0	0	110.1	K62 V89 V99	K62-E102 IonicContact NZ-OE1 2.71Å; V89-E102 CarbonylContact O-C 3.56Å; V89-E102 WeakPolarHBondContact O-CA 3.11Å; V99-E102 HydrophobicContact CG1-CG 3.95Å
103	L	95.4	Very high	91	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.9	168.8	-61.7	172.4	0	0	0	109.4	K88 V89 F91 H101 F105 Y192	K88-L103 CarbonylContact C-O 3.54Å; K88-L103 WeakPolarHBondContact CA-O 3.3Å; V89-L103 HydrophobicContact CB-CB 4.26Å; V89-L103 PolarHBondContact N-O 3.01Å; V89-L103 PolarHBondContact O-N 3.39Å; F91-L103 HydrophobicContact CE2-CD1 3.89Å; F91-L103 HydrophobicContact CE2-CG 3.94Å; F91-L103 HydrophobicContact CZ-CD1 3.87Å; F91-L103 HydrophobicContact CZ-CG 4.39Å; H101-L103 WeakPolarHBondContact NE2-CD2 3.46Å; L103-F105 HydrophobicContact CB-CD2 4.45Å; L103-F105 HydrophobicContact CB-CE2 3.71Å; L103-F105 HydrophobicContact CB-CZ 4.43Å; L103-F105 HydrophobicContact CD1-CE2 4.3Å; L103-F105 HydrophobicContact CD1-CZ 4.42Å; L103-Y192 HydrophobicContact CD1-CD2 4.39Å; L103-Y192 HydrophobicContact CD1-CE2 4.31Å
104	Q	94.5	Very high	90.9	Very high	112 Å²	112	40.1 Å²	40.1	52%	0.523	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.8	178.4	178.5	69.6	63.6	0	0	110	S86 K88	S86-Q104 PolarHBondContact O-NE2 2.98Å; K88-Q104 VanDerWaalsContact CE-OE1 3.29Å
105	F	92.6	Very high	90.6	Very high	11 Å²	11	40.4 Å²	40.4	5%	0.048	23%	0.23	C	C	.	.			trans	-117.9	157.9	176	-66.1	-92.3	0	0	0	110.9	G87 V89 L103 S107 I109 V183 Y190 Y192	G87-F105 WeakPolarHBondContact O-CB 3.49Å; G87-F105 PolarHBondContact O-N 2.82Å; V89-F105 HydrophobicContact CG2-CD2 3.93Å; V89-F105 HydrophobicContact CG2-CE2 3.83Å; L103-F105 HydrophobicContact CB-CD2 4.45Å; L103-F105 HydrophobicContact CB-CE2 3.71Å; L103-F105 HydrophobicContact CB-CZ 4.43Å; L103-F105 HydrophobicContact CD1-CE2 4.3Å; L103-F105 HydrophobicContact CD1-CZ 4.42Å; F105-S107 VanDerWaalsContact C-N 3.29Å; F105-S107 PolarHBondContact O-N 3.46Å; F105-I109 HydrophobicContact CB-CD1 3.65Å; F105-I109 HydrophobicContact CD1-CD1 4.27Å; F105-I109 HydrophobicContact CD2-CD1 3.6Å; F105-I109 HydrophobicContact CD2-CG1 4.48Å; F105-I109 HydrophobicContact CE2-CD1 4.3Å; F105-I109 HydrophobicContact CG-CD1 3.56Å; F105-V183 HydrophobicContact CD1-CG1 4.49Å; F105-V183 HydrophobicContact CD2-CG1 4.46Å; F105-V183 HydrophobicContact CE1-CB 4.44Å; F105-V183 HydrophobicContact CE1-CG1 4.02Å; F105-V183 HydrophobicContact CE2-CG1 3.97Å; F105-V183 HydrophobicContact CZ-CB 4.1Å; F105-V183 HydrophobicContact CZ-CG1 3.74Å; F105-V183 HydrophobicContact CZ-CG2 4.12Å; F105-Y190 HydrophobicContact CD1-CD2 4.3Å; F105-Y190 HydrophobicContact CD1-CE2 4.06Å; F105-Y190 HydrophobicContact CE1-CD1 4.44Å; F105-Y190 AromaticContact CE1-CD2 3.75Å; F105-Y190 HydrophobicContact CE1-CD2 3.75Å; F105-Y190 AromaticContact CE1-CE2 3.92Å; F105-Y190 HydrophobicContact CE1-CE2 3.92Å; F105-Y190 HydrophobicContact CE1-CG 4.03Å; F105-Y192 HydrophobicContact CE1-CE2 4.34Å; F105-Y192 AromaticContact CZ-CE2 3.8Å; F105-Y192 HydrophobicContact CZ-CE2 3.8Å
106	P	86.8	Confident	90.4	Very high	88 Å²	88	39.8 Å²	39.8	57%	0.571	21%	0.211	S	C	*	.	S	Bend	trans	-78.7	-5.7	-174.6	32	-37.7	0	0	0	114.6	K186	P106-K186 HydrophobicContact CB-CD 4.46Å; P106-K186 HydrophobicContact CG-CD 4.1Å; P106-K186 VanDerWaalsContact O-CE 3.25Å; P106-K186 WeakPolarHBondContact O-CE 3.47Å; P106-K186 PolarHBondContact O-NZ 3.06Å
107	S	87.6	Confident	89.8	Confident	29 Å²	29	37 Å²	37	20%	0.203	20%	0.196	C	C	.	.	S	Bend	trans	-146.7	178.4	168.4	58.8	0	0	0	0	110.5	G87 F105 S185 K186	G87-S107 WeakPolarHBondContact CA-O 3.37Å; F105-S107 VanDerWaalsContact C-N 3.29Å; F105-S107 PolarHBondContact O-N 3.46Å; S107-S185 PolarHBondContact OG-OG 3.4Å; S107-K186 WeakPolarHBondContact OG-CE 3.48Å; S107-K186 WeakPolarHBondContact OG-CG 3.19Å
108	T	89.1	Confident	88.7	Confident	59 Å²	59	41.7 Å²	41.7	36%	0.362	22%	0.216	S	C	.	.			trans	-44.3	143.7	164.6	75.3	0	0	0	0	110.7	S85 S185	S85-T108 WeakPolarHBondContact O-CG2 3.47Å; T108-S185 PolarHBondContact O-OG 2.79Å
109	I	90.7	Very high	87.1	Confident	3 Å²	3	41 Å²	41	2%	0.015	22%	0.215	C	C	.	.			trans	-83.4	126.7	169.4	-56.3	-49.2	0	0	0	107	N70 V89 F105 Y111 L112 V183	N70-I109 PolarHBondContact OD1-O 3.39Å; V89-I109 HydrophobicContact CG2-CD1 4.29Å; V89-I109 HydrophobicContact CG2-CG1 3.73Å; F105-I109 HydrophobicContact CB-CD1 3.65Å; F105-I109 HydrophobicContact CD1-CD1 4.27Å; F105-I109 HydrophobicContact CD2-CD1 3.6Å; F105-I109 HydrophobicContact CD2-CG1 4.48Å; F105-I109 HydrophobicContact CE2-CD1 4.3Å; F105-I109 HydrophobicContact CG-CD1 3.56Å; I109-Y111 WeakPolarHBondContact CG2-O 3.36Å; I109-L112 HydrophobicContact CG2-CB 4.16Å; I109-L112 HydrophobicContact CG2-CD1 4.46Å; I109-V183 HydrophobicContact CD1-CG1 3.63Å; I109-V183 HydrophobicContact CG1-CG1 4.2Å; I109-V183 HydrophobicContact CG2-CG1 3.81Å
110	D	84.9	Confident	85.1	Confident	69 Å²	69	44.2 Å²	44.2	37%	0.369	24%	0.239	S	C	.	.	S	Bend	trans	-91.5	-29.7	-179.6	-65.3	-42.7	0	0	0	110.5	Y184	D110-Y184 HydrophobicContact CB-CD1 3.72Å; D110-Y184 HydrophobicContact CB-CE1 4.15Å; D110-Y184 PolarHBondContact N-O 3.44Å
111	Y	85.9	Confident	82.8	Confident	50 Å²	50	46.4 Å²	46.4	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	140.8	178.4	-166.2	-93.2	0	0	0	112.2	I109 L113 Y184 L220 C223	I109-Y111 WeakPolarHBondContact CG2-O 3.36Å; Y111-L113 HydrophobicContact CD1-CB 4.36Å; Y111-L113 HydrophobicContact CE1-CB 3.56Å; Y111-L113 HydrophobicContact CE1-CD2 4.21Å; Y111-L113 HydrophobicContact CE1-CG 4.5Å; Y111-Y184 PolarHBondContact O-N 2.96Å; Y111-L220 HydrophobicContact CD1-CD2 4.23Å; Y111-L220 HydrophobicContact CD2-CD2 4.48Å; Y111-L220 HydrophobicContact CG-CD2 3.91Å; Y111-C223 HydrophobicContact CD1-CB 3.94Å; Y111-C223 HydrophobicContact CE1-CB 3.56Å; Y111-C223 PolarHBondContact OH-O 2.87Å
112	L	91.1	Very high	80.4	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	121.3	-176.6	-170.1	71.2	0	0	0	110	N70 T72 T81 V89 I109 L181 T182 V183	N70-L112 HydrophobicContact CB-CB 3.74Å; N70-L112 HydrophobicContact CB-CD2 4.33Å; T72-L112 HydrophobicContact CG2-CB 4.45Å; T72-L112 HydrophobicContact CG2-CD2 3.68Å; T72-L112 HydrophobicContact CG2-CG 3.55Å; T81-L112 HydrophobicContact CG2-CD2 4.02Å; V89-L112 HydrophobicContact CG1-CD1 4.35Å; V89-L112 HydrophobicContact CG1-CD2 4.45Å; I109-L112 HydrophobicContact CG2-CB 4.16Å; I109-L112 HydrophobicContact CG2-CD1 4.46Å; L112-L181 HydrophobicContact CD1-CD1 3.8Å; L112-L181 HydrophobicContact CD1-CD2 4.34Å; L112-L181 HydrophobicContact CD1-CG 4.3Å; L112-L181 HydrophobicContact CG-CD1 4.24Å; L112-T182 WeakPolarHBondContact CA-O 3.44Å; L112-V183 HydrophobicContact CD1-CB 4.42Å; L112-V183 HydrophobicContact CD1-CG1 4.33Å; L112-V183 HydrophobicContact CD1-CG2 3.79Å
113	L	91.1	Very high	77.7	Confident	44 Å²	44	50.9 Å²	50.9	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	129.1	-178	177.8	68.1	0	0	0	112	Y111 T115 T182 C223	Y111-L113 HydrophobicContact CD1-CB 4.36Å; Y111-L113 HydrophobicContact CE1-CB 3.56Å; Y111-L113 HydrophobicContact CE1-CD2 4.21Å; Y111-L113 HydrophobicContact CE1-CG 4.5Å; L113-T115 HydrophobicContact CD2-CG2 3.8Å; L113-T115 HydrophobicContact CG-CG2 4.03Å; L113-T182 PolarHBondContact N-O 3.1Å; L113-T182 PolarHBondContact O-N 2.93Å; L113-C223 WeakPolarHBondContact CD2-O 3.36Å
114	W	91.6	Very high	75	Confident	13 Å²	13	54.4 Å²	54.4	5%	0.049	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.3	161.5	-78.5	108.5	0	0	0	112.2	T72 W73 R74 P75 T81 F91 P179 I180 L181 F194 G195	T72-W114 HydrophobicContact CG2-CG 4.31Å; T72-W114 PolarHBondContact OG1-N 2.85Å; W73-W114 VanDerWaalsContact C-CD1 3.42Å; W73-W114 VanDerWaalsContact O-CB 3.25Å; W73-W114 WeakPolarHBondContact O-CB 3.43Å; R74-W114 HydrophobicContact CB-CD2 4.23Å; R74-W114 HydrophobicContact CB-CG 4.34Å; R74-W114 HydrophobicContact CG-CD2 4.2Å; R74-W114 HydrophobicContact CG-CE3 4.24Å; R74-W114 HydrophobicContact CG-CH2 4.5Å; R74-W114 HydrophobicContact CG-CZ2 4.46Å; R74-W114 HydrophobicContact CG-CZ3 4.42Å; P75-W114 HydrophobicContact CG-CB 4.27Å; T81-W114 PolarHBondContact OG1-NE1 3.4Å; F91-W114 AromaticContact CD1-CZ2 3.99Å; F91-W114 HydrophobicContact CD1-CZ2 3.99Å; F91-W114 HydrophobicContact CE1-CH2 4.22Å; F91-W114 AromaticContact CE1-CZ2 3.56Å; F91-W114 HydrophobicContact CE1-CZ2 3.56Å; W114-P179 HydrophobicContact CE3-CB 3.92Å; W114-P179 HydrophobicContact CZ3-CB 3.74Å; W114-P179 HydrophobicContact CZ3-CG 4.41Å; W114-I180 WeakPolarHBondContact CA-O 3.25Å; W114-I180 VanDerWaalsContact CE3-C 3.46Å; W114-L181 HydrophobicContact CD2-CB 3.95Å; W114-L181 HydrophobicContact CD2-CD1 3.89Å; W114-L181 HydrophobicContact CE3-CB 3.79Å; W114-L181 HydrophobicContact CG-CD1 3.98Å; W114-L181 HydrophobicContact CH2-CB 4.02Å; W114-L181 HydrophobicContact CZ2-CB 4.16Å; W114-L181 HydrophobicContact CZ2-CD1 4.47Å; W114-L181 HydrophobicContact CZ3-CB 3.81Å; W114-F194 VanDerWaalsContact CH2-C 3.48Å; W114-G195 VanDerWaalsContact CH2-N 3.29Å
115	T	86.1	Confident	72.3	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.123	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	167.8	168.4	62.5	0	0	0	0	109.7	L113 P179 I180 L225	L113-T115 HydrophobicContact CD2-CG2 3.8Å; L113-T115 HydrophobicContact CG-CG2 4.03Å; T115-P179 CarbonylContact O-C 3.58Å; T115-P179 WeakPolarHBondContact O-CA 3.48Å; T115-I180 PolarHBondContact N-O 3.02Å; T115-I180 PolarHBondContact O-N 3.16Å; T115-I180 PolarHBondContact OG1-O 2.83Å; T115-L225 HydrophobicContact CG2-CB 4.3Å
116	N	83.7	Confident	69.6	Low	48 Å²	48	60.8 Å²	60.8	26%	0.257	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129	179	-166.1	9.5	0	0	0	110.4	P75 Y177 F178 Q229	P75-N116 HydrophobicContact CB-CB 3.93Å; P75-N116 HydrophobicContact CG-CB 3.86Å; N116-Y177 WeakPolarHBondContact ND2-CB 3.5Å; N116-Y177 WeakPolarHBondContact ND2-CD1 3.31Å; N116-Y177 WeakPolarHBondContact OD1-CA 3.28Å; N116-Y177 WeakPolarHBondContact OD1-CB 3.49Å; N116-F178 PolarHBondContact OD1-N 3.04Å; N116-F178 VanDerWaalsContact OD1-N 3.16Å; N116-Q229 VanDerWaalsContact C-NE2 3.31Å; N116-Q229 PolarHBondContact O-NE2 2.82Å
117	Y	75.8	Confident	67.3	Low	9 Å²	9	60.3 Å²	60.3	4%	0.035	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.9	171.1	179.3	-76.7	0	0	0	112.7	F178 Q229 F257	Y117-F178 WeakPolarHBondContact CB-O 3.34Å; Y117-F178 HydrophobicContact CD1-CB 4.06Å; Y117-F178 AromaticContact CD1-CD1 3.78Å; Y117-F178 HydrophobicContact CD1-CD1 3.78Å; Y117-F178 HydrophobicContact CD1-CG 4.43Å; Y117-F178 HydrophobicContact CG-CB 4.39Å; Y117-F178 AromaticContact CG-CD1 3.87Å; Y117-F178 HydrophobicContact CG-CD1 3.87Å; Y117-F178 PolarHBondContact N-O 3.02Å; Y117-F178 WeakPolarHBondContact O-CB 3.32Å; Y117-F178 PolarHBondContact O-N 3.17Å; Y117-Q229 VanDerWaalsContact CA-CD 3.47Å; Y117-Q229 VanDerWaalsContact CB-NE2 3.27Å; Y117-Q229 VanDerWaalsContact CB-OE1 3.26Å; Y117-Q229 HydrophobicContact CD2-CB 3.96Å; Y117-Q229 HydrophobicContact CD2-CG 4.28Å; Y117-Q229 HydrophobicContact CE2-CB 4.22Å; Y117-F257 HydrophobicContact CD2-CB 4.28Å; Y117-F257 HydrophobicContact CD2-CD1 4.23Å; Y117-F257 HydrophobicContact CE2-CB 3.93Å; Y117-F257 WeakPolarHBondContact CE2-O 3.26Å; Y117-F257 VanDerWaalsContact CZ-O 3.3Å; Y117-F257 PolarHBondContact OH-O 2.78Å
118	Q	69.3	Low	65.2	Low	108 Å²	108	65.2 Å²	65.2	51%	0.505	37%	0.368	S	S	.	.			trans	-113.7	105.7	176	-173.5	172	-11.6	0	0	107.8	S120	Q118-S120 PolarHBondContact O-N 2.72Å
119	S	58.1	Low	63.1	Low	19 Å²	19	64.9 Å²	64.9	13%	0.133	37%	0.368	C	S	.	.			trans	-63.7	126.2	177.1	-169.8	0	0	0	0	110	A121 T122	S119-A121 PolarHBondContact O-N 2.9Å; S119-A121 WeakPolarHBondContact OG-CB 3.48Å; S119-A121 PolarHBondContact OG-N 3.42Å; S119-T122 PolarHBondContact O-N 2.87Å; S119-T122 PolarHBondContact O-OG1 2.86Å
120	S	50.2	Low	60.8	Low	100 Å²	100	68.4 Å²	68.4	70%	0.699	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-60	-15.6	171	-50.7	0	0	0	0	112.7	Q118 T122 N123	Q118-S120 PolarHBondContact O-N 2.72Å; S120-T122 PolarHBondContact O-N 3.02Å; S120-T122 VanDerWaalsContact O-N 3.12Å; S120-N123 PolarHBondContact O-N 2.79Å
121	A	45.9	Very low	59	Low	58 Å²	58	69.1 Å²	69.1	48%	0.479	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-62.6	-14.8	176.9	0	0	0	0	0	114	S119 N123	S119-A121 PolarHBondContact O-N 2.9Å; S119-A121 WeakPolarHBondContact OG-CB 3.48Å; S119-A121 PolarHBondContact OG-N 3.42Å; A121-N123 PolarHBondContact O-N 2.97Å
122	T	43.1	Very low	57	Low	63 Å²	63	71 Å²	71	39%	0.387	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-75	-6.7	172.7	62.1	0	0	0	0	113.8	S119 S120	S119-T122 PolarHBondContact O-N 2.87Å; S119-T122 PolarHBondContact O-OG1 2.86Å; S120-T122 PolarHBondContact O-N 3.02Å; S120-T122 VanDerWaalsContact O-N 3.12Å
123	N	38.1	Very low	54.9	Low	130 Å²	130	79.4 Å²	79.4	70%	0.695	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-95.9	9.7	177.5	-76.6	-4.6	0	0	0	113.8	S120 A121 N125	S120-N123 PolarHBondContact O-N 2.79Å; A121-N123 PolarHBondContact O-N 2.97Å; N123-N125 PolarHBondContact O-N 2.75Å
124	I	39.3	Very low	52.8	Low	99 Å²	99	81.7 Å²	81.7	51%	0.508	45%	0.447	S	S	.	.			trans	-74.6	116.6	168.7	-54	177.2	0	0	0	106.9	N126	I124-N126 HydrophobicContact CG2-CB 3.94Å; I124-N126 WeakPolarHBondContact CG2-ND2 3.35Å; I124-N126 WeakPolarHBondContact CG2-OD1 3.24Å; I124-N126 PolarHBondContact O-N 2.92Å
125	N	36.9	Very low	51.1	Low	168 Å²	168	88 Å²	88	90%	0.898	47%	0.471	S	S	*	.			trans	-62.9	33.6	174.6	-71	-32.6	0	0	0	113.9	N123	N123-N125 PolarHBondContact O-N 2.75Å
126	N	35.7	Very low	49.9	Very low	89 Å²	89	88.5 Å²	88.5	48%	0.476	47%	0.473	S	S	.	.			trans	-89.6	136.3	178.3	-71.9	0.5	0	0	0	108.9	I124	I124-N126 HydrophobicContact CG2-CB 3.94Å; I124-N126 WeakPolarHBondContact CG2-ND2 3.35Å; I124-N126 WeakPolarHBondContact CG2-OD1 3.24Å; I124-N126 PolarHBondContact O-N 2.92Å
127	S	39.1	Very low	49.1	Very low	78 Å²	78	89.4 Å²	89.4	55%	0.545	48%	0.478	S	S	.	.			trans	-37.6	144.5	-177.5	42	0	0	0	0	113.6	S129 D130	S127-S129 PolarHBondContact O-N 3.45Å; S127-S129 PolarHBondContact O-OG 3.06Å; S127-S129 PolarHBondContact OG-OG 3.3Å; S127-D130 PolarHBondContact O-N 2.87Å
128	D	43.8	Very low	49.1	Very low	132 Å²	132	89 Å²	89	71%	0.706	48%	0.476	S	S	*	.	H	α-helix	trans	-43.3	-20.5	174.8	-80.3	-38.7	0	0	0	114.4	D130 N132	D128-D130 PolarHBondContact O-N 3.2Å; D128-N132 PolarHBondContact O-N 3.32Å; D128-N132 PolarHBondContact O-ND2 3.45Å
129	S	44.7	Very low	49.3	Very low	52 Å²	52	87.5 Å²	87.5	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-55.3	-42.7	171.7	59.9	0	0	0	0	114.6	S127 N132 Y133	S127-S129 PolarHBondContact O-N 3.45Å; S127-S129 PolarHBondContact O-OG 3.06Å; S127-S129 PolarHBondContact OG-OG 3.3Å; S129-N132 PolarHBondContact O-N 3.22Å; S129-Y133 WeakPolarHBondContact O-CD2 3.12Å; S129-Y133 WeakPolarHBondContact O-CE2 3.31Å
130	D	43	Very low	50.3	Low	77 Å²	77	91.7 Å²	91.7	41%	0.412	51%	0.508	S	S	.	.	H	α-helix	trans	-81	-31.8	-170.9	-70	-3.7	0	0	0	111.8	S127 D128 N132	S127-D130 PolarHBondContact O-N 2.87Å; D128-D130 PolarHBondContact O-N 3.2Å; D130-N132 VanDerWaalsContact C-N 3.28Å; D130-N132 PolarHBondContact O-N 3.28Å
131	I	47.1	Very low	51.8	Low	83 Å²	83	94 Å²	94	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-69.7	-30	174	-60.6	177.6	0	0	0	110.7	Y133 L134 R135	I131-Y133 PolarHBondContact O-N 2.95Å; I131-L134 PolarHBondContact O-N 3.18Å; I131-R135 PolarHBondContact O-N 2.86Å
132	N	44	Very low	53.6	Low	89 Å²	89	92.6 Å²	92.6	48%	0.476	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-33	178.8	-76.8	-28.5	0	0	0	113.2	D128 S129 D130 L134 R135	D128-N132 PolarHBondContact O-N 3.32Å; D128-N132 PolarHBondContact O-ND2 3.45Å; S129-N132 PolarHBondContact O-N 3.22Å; D130-N132 VanDerWaalsContact C-N 3.28Å; D130-N132 PolarHBondContact O-N 3.28Å; N132-L134 PolarHBondContact O-N 2.87Å; N132-R135 PolarHBondContact O-N 3.41Å
133	Y	46	Very low	55.5	Low	188 Å²	188	93.2 Å²	93.2	74%	0.737	49%	0.49	S	S	*	.	H	α-helix	trans	-67.7	-22.9	174.1	-67.1	-73.6	0	0	0	113.2	S129 I131	S129-Y133 WeakPolarHBondContact O-CD2 3.12Å; S129-Y133 WeakPolarHBondContact O-CE2 3.31Å; I131-Y133 PolarHBondContact O-N 2.95Å
134	L	48.3	Very low	57.4	Low	92 Å²	92	88.8 Å²	88.8	48%	0.482	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.9	-178.3	-55.4	170.1	0	0	0	112.3	I131 N132 Y262	I131-L134 PolarHBondContact O-N 3.18Å; N132-L134 PolarHBondContact O-N 2.87Å; L134-Y262 HydrophobicContact CB-CE2 4.23Å; L134-Y262 HydrophobicContact CD1-CE2 4.37Å; L134-Y262 HydrophobicContact CD2-CE1 4.01Å; L134-Y262 HydrophobicContact CD2-CE2 3.94Å; L134-Y262 VanDerWaalsContact CD2-CZ 3.41Å; L134-Y262 WeakPolarHBondContact CD2-OH 3.17Å; L134-Y262 HydrophobicContact CG-CE2 4.4Å
135	R	55.3	Low	59.4	Low	146 Å²	146	84.2 Å²	84.2	55%	0.551	44%	0.443	S	S	*	.	S	Bend	trans	-81.9	137.7	-179	-162.3	170.8	-176.7	176.6	-4.1	110.2	I131 N132 N137 D173	I131-R135 PolarHBondContact O-N 2.86Å; N132-R135 PolarHBondContact O-N 3.41Å; R135-N137 PolarHBondContact O-N 2.85Å; R135-N137 PolarHBondContact O-OD1 3.49Å; R135-D173 PolarHBondContact NE-O 3.36Å
136	N	60.2	Low	61.2	Low	31 Å²	31	80.8 Å²	80.8	17%	0.166	42%	0.42	C	S	.	.			trans	-60.7	103.9	170.8	-87.4	-11.1	0	0	0	109.5	V138 D173 Q270	N136-V138 HydrophobicContact CB-CG2 4.11Å; N136-V138 PolarHBondContact O-N 3.06Å; N136-D173 WeakPolarHBondContact CB-OD1 3.22Å; N136-Q270 PolarHBondContact OD1-NE2 2.82Å
137	N	66.3	Low	63	Low	66 Å²	66	82.1 Å²	82.1	35%	0.353	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	18.4	177.4	-69.5	-25.4	0	0	0	113	R135 A139 T140 Y141	R135-N137 PolarHBondContact O-N 2.85Å; R135-N137 PolarHBondContact O-OD1 3.49Å; N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.16Å; N137-T140 WeakPolarHBondContact O-CB 3.24Å; N137-T140 PolarHBondContact O-N 3.49Å; N137-T140 PolarHBondContact O-OG1 2.79Å; N137-Y141 HydrophobicContact CB-CD2 4.28Å; N137-Y141 HydrophobicContact CB-CE2 3.7Å; N137-Y141 WeakPolarHBondContact O-CD2 3.2Å; N137-Y141 PolarHBondContact O-N 2.82Å
138	V	76.6	Confident	64.7	Low	1 Å²	1	79.3 Å²	79.3	1%	0.006	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-40.4	-173.4	-176.2	0	0	0	0	111	N136 T140 Y141 F142 R377 F380	N136-V138 HydrophobicContact CB-CG2 4.11Å; N136-V138 PolarHBondContact O-N 3.06Å; V138-T140 PolarHBondContact O-N 3.11Å; V138-Y141 PolarHBondContact O-N 3.48Å; V138-F142 HydrophobicContact CG1-CD2 3.98Å; V138-F142 PolarHBondContact O-N 2.88Å; V138-R377 VanDerWaalsContact CG1-NH2 3.27Å; V138-F380 HydrophobicContact CG2-CD1 4.32Å; V138-F380 HydrophobicContact CG2-CE1 3.64Å; V138-F380 HydrophobicContact CG2-CZ 4.41Å
139	A	74.2	Confident	65.6	Low	77 Å²	77	76 Å²	76	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-20	176.6	0	0	0	0	0	113.5	N137	N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.16Å
140	T	77.7	Confident	66.4	Low	107 Å²	107	74.6 Å²	74.6	66%	0.656	38%	0.379	S	S	*	.	H	α-helix	trans	-77.5	-36.1	175.5	-48.8	0	0	0	0	111.7	N137 V138	N137-T140 WeakPolarHBondContact O-CB 3.24Å; N137-T140 PolarHBondContact O-N 3.49Å; N137-T140 PolarHBondContact O-OG1 2.79Å; V138-T140 PolarHBondContact O-N 3.11Å
141	Y	81.4	Confident	67.4	Low	148 Å²	148	72.7 Å²	72.7	58%	0.58	37%	0.367	S	S	*	.	H	α-helix	trans	-97.4	-28.4	-174.2	-58.5	-65.5	0	0	0	113.8	N137 V138 F380	N137-Y141 HydrophobicContact CB-CD2 4.28Å; N137-Y141 HydrophobicContact CB-CE2 3.7Å; N137-Y141 WeakPolarHBondContact O-CD2 3.2Å; N137-Y141 PolarHBondContact O-N 2.82Å; V138-Y141 PolarHBondContact O-N 3.48Å; Y141-F380 HydrophobicContact CD2-CE2 4.04Å; Y141-F380 HydrophobicContact CD2-CZ 4.32Å; Y141-F380 HydrophobicContact CE2-CE2 4.38Å
142	F	84.3	Confident	67.6	Low	28 Å²	28	76.9 Å²	76.9	12%	0.123	38%	0.382	C	S	.	.	S	Bend	trans	-117.3	127.7	-176.8	-67	-90	0	0	0	110.6	V138 F373 Q376 R377 F380	V138-F142 HydrophobicContact CG1-CD2 3.98Å; V138-F142 PolarHBondContact O-N 2.88Å; F142-F373 HydrophobicContact CB-CE2 4.48Å; F142-F373 HydrophobicContact CB-CZ 4.3Å; F142-F373 AromaticContact CD1-CE2 3.88Å; F142-F373 HydrophobicContact CD1-CE2 3.88Å; F142-F373 HydrophobicContact CD1-CZ 4.13Å; F142-Q376 HydrophobicContact CE1-CB 4.28Å; F142-R377 HydrophobicContact CD1-CB 4.16Å; F142-R377 HydrophobicContact CD1-CG 4.43Å; F142-R377 HydrophobicContact CE1-CB 3.87Å; F142-R377 HydrophobicContact CE1-CG 4.43Å; F142-R377 HydrophobicContact CZ-CB 4.25Å; F142-F380 HydrophobicContact CE2-CB 3.78Å; F142-F380 HydrophobicContact CE2-CD1 4.22Å; F142-F380 HydrophobicContact CE2-CD2 4.09Å; F142-F380 AromaticContact CE2-CG 3.75Å; F142-F380 HydrophobicContact CE2-CG 3.75Å; F142-F380 HydrophobicContact CZ-CB 3.83Å; F142-F380 HydrophobicContact CZ-CG 4.32Å
143	P	83.3	Confident	67.9	Low	77 Å²	77	75.6 Å²	75.6	50%	0.5	38%	0.38	S	S	.	.			trans	-59.1	153.8	169.3	26.1	-35.4	0	0	0	111.1	V145 F373	P143-V145 PolarHBondContact O-N 3.37Å; P143-F373 HydrophobicContact CG-CE2 3.88Å; P143-F373 HydrophobicContact CG-CZ 4.39Å
144	D	78.1	Confident	67.8	Low	37 Å²	37	74.8 Å²	74.8	20%	0.198	39%	0.388	C	S	.	.			trans	-58.8	133.2	173.6	-172.4	-24.5	0	0	0	109.5	K146 H147 R170	D144-K146 HydrophobicContact CB-CD 4.33Å; D144-K146 HydrophobicContact CB-CG 4.08Å; D144-K146 PolarHBondContact O-N 2.89Å; D144-K146 PolarHBondContact OD1-N 2.77Å; D144-K146 VanDerWaalsContact OD2-CD 3.26Å; D144-K146 WeakPolarHBondContact OD2-CD 3.44Å; D144-K146 WeakPolarHBondContact OD2-CE 3.38Å; D144-K146 IonicContact OD2-NZ 2.77Å; D144-K146 PolarHBondContact OD2-NZ 2.84Å; D144-H147 WeakPolarHBondContact O-CB 3.41Å; D144-H147 PolarHBondContact O-CD2 3.4Å; D144-H147 PolarHBondContact O-N 2.86Å; D144-R170 IonicContact OD1-NH1 2.68Å; D144-R170 IonicContact OD2-CZ 2.77Å; D144-R170 IonicContact OD2-NH1 3.82Å; D144-R170 PolarHBondContact OD2-NH1 2.86Å
145	V	81.6	Confident	67.7	Low	3 Å²	3	73.8 Å²	73.8	2%	0.018	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-53.5	-30.8	-176.1	-177.3	0	0	0	0	111.4	P143 H147 L148 F151 V162 A166 L169 L280 F373 F374	P143-V145 PolarHBondContact O-N 3.37Å; V145-H147 PolarHBondContact O-N 2.87Å; V145-L148 HydrophobicContact CG1-CD1 4.27Å; V145-L148 WeakPolarHBondContact O-CG 3.26Å; V145-L148 PolarHBondContact O-N 3.35Å; V145-L148 VanDerWaalsContact O-N 3.16Å; V145-F151 HydrophobicContact CG1-CE2 3.93Å; V145-F151 HydrophobicContact CG1-CZ 4.33Å; V145-F151 WeakPolarHBondContact O-CD2 3.49Å; V145-F151 VanDerWaalsContact O-CE2 3.26Å; V145-F151 WeakPolarHBondContact O-CE2 3.4Å; V145-V162 HydrophobicContact CG1-CG1 3.95Å; V145-A166 HydrophobicContact CB-CB 4.07Å; V145-L169 HydrophobicContact CG2-CD1 4.24Å; V145-L280 HydrophobicContact CG1-CD1 4.46Å; V145-F373 HydrophobicContact CG2-CE1 4.27Å; V145-F374 HydrophobicContact CG1-CE1 3.87Å; V145-F374 HydrophobicContact CG1-CZ 3.74Å; V145-F374 HydrophobicContact CG2-CE1 4.21Å
146	K	74.1	Confident	67.2	Low	96 Å²	96	74.1 Å²	74.1	42%	0.417	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-58.9	-18.1	176.3	75.7	-168.7	179.6	-150.1	0	114.4	D144	D144-K146 HydrophobicContact CB-CD 4.33Å; D144-K146 HydrophobicContact CB-CG 4.08Å; D144-K146 PolarHBondContact O-N 2.89Å; D144-K146 PolarHBondContact OD1-N 2.77Å; D144-K146 VanDerWaalsContact OD2-CD 3.26Å; D144-K146 WeakPolarHBondContact OD2-CD 3.44Å; D144-K146 WeakPolarHBondContact OD2-CE 3.38Å; D144-K146 IonicContact OD2-NZ 2.77Å; D144-K146 PolarHBondContact OD2-NZ 2.84Å
147	H	73.6	Confident	66.7	Low	116 Å²	116	76.2 Å²	76.2	54%	0.537	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-86.7	-7.8	-178.9	-63.2	-62	0	0	0	114	D144 V145 S149	D144-H147 WeakPolarHBondContact O-CB 3.41Å; D144-H147 PolarHBondContact O-CD2 3.4Å; D144-H147 PolarHBondContact O-N 2.86Å; V145-H147 PolarHBondContact O-N 2.87Å; H147-S149 PolarHBondContact O-N 3.39Å
148	L	74.9	Confident	66.2	Low	19 Å²	19	75.9 Å²	75.9	10%	0.099	41%	0.409	C	S	.	.			trans	-63.9	121.7	176.1	-56	178.7	0	0	0	109.3	V145 T150 F151 Q369 Q370 F373 F374	V145-L148 HydrophobicContact CG1-CD1 4.27Å; V145-L148 WeakPolarHBondContact O-CG 3.26Å; V145-L148 PolarHBondContact O-N 3.35Å; V145-L148 VanDerWaalsContact O-N 3.16Å; L148-T150 VanDerWaalsContact C-N 3.27Å; L148-T150 PolarHBondContact O-N 3.04Å; L148-F151 HydrophobicContact CB-CD2 3.66Å; L148-F151 HydrophobicContact CB-CE2 3.53Å; L148-F151 HydrophobicContact CB-CZ 4.5Å; L148-F151 HydrophobicContact CD1-CE2 3.72Å; L148-F151 HydrophobicContact CD1-CZ 4.2Å; L148-F151 HydrophobicContact CG-CE2 3.97Å; L148-F151 WeakPolarHBondContact O-CD2 3.36Å; L148-F151 PolarHBondContact O-N 2.9Å; L148-Q369 WeakPolarHBondContact CD2-O 3.41Å; L148-Q370 HydrophobicContact CD1-CG 4.35Å; L148-F373 HydrophobicContact CD1-CD1 3.91Å; L148-F373 HydrophobicContact CD1-CE1 4.31Å; L148-F373 HydrophobicContact CD1-CG 4.38Å; L148-F373 HydrophobicContact CD2-CD1 4.36Å; L148-F373 HydrophobicContact CD2-CD2 4.3Å; L148-F373 HydrophobicContact CD2-CG 4.18Å; L148-F374 HydrophobicContact CD1-CE2 4.48Å; L148-F374 HydrophobicContact CD1-CZ 4.03Å
149	S	63.5	Low	65.6	Low	62 Å²	62	79.1 Å²	79.1	43%	0.434	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-66.2	-25.7	-166.4	50.1	0	0	0	0	113.9	H147 F151 K152 Q369	H147-S149 PolarHBondContact O-N 3.39Å; S149-F151 PolarHBondContact O-N 3.39Å; S149-K152 WeakPolarHBondContact O-CB 3.48Å; S149-K152 PolarHBondContact O-N 2.75Å; S149-K152 VanDerWaalsContact O-N 3.08Å; S149-Q369 VanDerWaalsContact OG-CD 3.28Å; S149-Q369 PolarHBondContact OG-NE2 2.87Å; S149-Q369 PolarHBondContact OG-OE1 2.77Å
150	T	61.4	Low	65.6	Low	23 Å²	23	78 Å²	78	14%	0.141	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-64.1	-23.9	177.2	-26.2	0	0	0	0	112.8	L148 K152 S153 T365 I366 Q369 Q370	L148-T150 VanDerWaalsContact C-N 3.27Å; L148-T150 PolarHBondContact O-N 3.04Å; T150-K152 PolarHBondContact O-N 3.33Å; T150-S153 PolarHBondContact O-N 3.12Å; T150-S153 PolarHBondContact O-OG 3.42Å; T150-T365 HydrophobicContact CG2-CG2 4.44Å; T150-I366 HydrophobicContact CG2-CG1 3.96Å; T150-Q369 PolarHBondContact OG1-OE1 3.21Å; T150-Q370 VanDerWaalsContact CB-NE2 3.26Å
151	F	62.8	Low	65.6	Low	38 Å²	38	74.9 Å²	74.9	17%	0.167	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-70.1	-9	175.6	-61.2	-53.4	0	0	0	113.5	V145 L148 S149 V162 W283	V145-F151 HydrophobicContact CG1-CE2 3.93Å; V145-F151 HydrophobicContact CG1-CZ 4.33Å; V145-F151 WeakPolarHBondContact O-CD2 3.49Å; V145-F151 VanDerWaalsContact O-CE2 3.26Å; V145-F151 WeakPolarHBondContact O-CE2 3.4Å; L148-F151 HydrophobicContact CB-CD2 3.66Å; L148-F151 HydrophobicContact CB-CE2 3.53Å; L148-F151 HydrophobicContact CB-CZ 4.5Å; L148-F151 HydrophobicContact CD1-CE2 3.72Å; L148-F151 HydrophobicContact CD1-CZ 4.2Å; L148-F151 HydrophobicContact CG-CE2 3.97Å; L148-F151 WeakPolarHBondContact O-CD2 3.36Å; L148-F151 PolarHBondContact O-N 2.9Å; S149-F151 PolarHBondContact O-N 3.39Å; F151-V162 HydrophobicContact CD1-CB 4.5Å; F151-V162 HydrophobicContact CD1-CG1 4.19Å; F151-V162 HydrophobicContact CD1-CG2 4.14Å; F151-V162 HydrophobicContact CD2-CG1 4.19Å; F151-V162 HydrophobicContact CE1-CB 4.11Å; F151-V162 HydrophobicContact CE1-CG1 3.64Å; F151-V162 HydrophobicContact CE1-CG2 3.58Å; F151-V162 HydrophobicContact CE2-CG1 3.64Å; F151-V162 HydrophobicContact CG-CG1 4.47Å; F151-V162 HydrophobicContact CZ-CB 4.33Å; F151-V162 HydrophobicContact CZ-CG1 3.38Å; F151-V162 HydrophobicContact CZ-CG2 4.11Å; F151-W283 AromaticContact CD1-CH2 3.96Å; F151-W283 HydrophobicContact CD1-CH2 3.96Å; F151-W283 HydrophobicContact CD1-CZ3 4.33Å; F151-W283 HydrophobicContact CE1-CE3 4.34Å; F151-W283 AromaticContact CE1-CH2 3.43Å; F151-W283 HydrophobicContact CE1-CH2 3.43Å; F151-W283 VanDerWaalsContact CE1-CH2 3.43Å; F151-W283 HydrophobicContact CE1-CZ2 4.42Å; F151-W283 AromaticContact CE1-CZ3 3.37Å; F151-W283 HydrophobicContact CE1-CZ3 3.37Å; F151-W283 HydrophobicContact CZ-CZ3 4.09Å
152	K	52.3	Low	65.6	Low	171 Å²	171	68 Å²	68	74%	0.743	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-94.7	-8.3	179.2	-60.7	-174.7	177.5	-177.4	0	113.7	S149 T150	S149-K152 WeakPolarHBondContact O-CB 3.48Å; S149-K152 PolarHBondContact O-N 2.75Å; S149-K152 VanDerWaalsContact O-N 3.08Å; T150-K152 PolarHBondContact O-N 3.33Å
153	S	49.1	Very low	65.4	Low	61 Å²	61	69.2 Å²	69.2	43%	0.427	38%	0.383	S	S	.	.	S	Bend	trans	-94.3	141.2	-177.2	51.8	0	0	0	0	112.9	T150 V155	T150-S153 PolarHBondContact O-N 3.12Å; T150-S153 PolarHBondContact O-OG 3.42Å; S153-V155 PolarHBondContact O-N 3.23Å
154	D	44.4	Very low	65.5	Low	171 Å²	171	66.6 Å²	66.6	91%	0.914	36%	0.364	S	S	*	.			trans	-61.1	46.5	-176.3	-60.8	-50	0	0	0	116.3
155	V	46.4	Very low	65.9	Low	71 Å²	71	66.4 Å²	66.4	43%	0.43	36%	0.361	S	S	.	.	S	Bend	trans	-111.2	93.5	174.7	-122.5	0	0	0	0	107.9	S153 F157	S153-V155 PolarHBondContact O-N 3.23Å; V155-F157 WeakPolarHBondContact O-CD2 3.42Å; V155-F157 PolarHBondContact O-N 2.82Å
156	N	45.2	Very low	66.1	Low	154 Å²	154	66.4 Å²	66.4	82%	0.824	36%	0.361	S	S	*	.	S	Bend	trans	30.5	23.4	154.8	-69.2	-11.2	0	0	0	121.9
157	F	49.3	Very low	66.6	Low	75 Å²	75	65.9 Å²	65.9	33%	0.329	36%	0.36	S	S	.	.			trans	-119.9	137.1	-179.6	-77.8	-81.4	0	0	0	113.2	V155 S159 W283 Q287 I290	V155-F157 WeakPolarHBondContact O-CD2 3.42Å; V155-F157 PolarHBondContact O-N 2.82Å; F157-S159 VanDerWaalsContact C-N 3.31Å; F157-S159 PolarHBondContact O-N 2.81Å; F157-W283 HydrophobicContact CB-CZ2 3.95Å; F157-W283 AromaticContact CD1-CZ2 3.98Å; F157-W283 HydrophobicContact CD1-CZ2 3.98Å; F157-W283 AromaticContact CD1-NE1 3.72Å; F157-W283 AromaticContact CG-CZ2 3.91Å; F157-W283 HydrophobicContact CG-CZ2 3.91Å; F157-Q287 VanDerWaalsContact CE2-CD 3.4Å; F157-Q287 VanDerWaalsContact CE2-NE2 3.35Å; F157-I290 HydrophobicContact CE1-CD1 4.47Å; F157-I290 HydrophobicContact CZ-CD1 3.7Å
158	S	56.4	Low	67.2	Low	58 Å²	58	60.4 Å²	60.4	41%	0.406	34%	0.335	S	S	.	.			trans	-64.7	91	170	45.4	0	0	0	0	109	S160 D161	S158-S160 PolarHBondContact O-N 2.88Å; S158-D161 PolarHBondContact O-N 2.94Å; S158-D161 PolarHBondContact OG-OD2 2.87Å
159	S	63.4	Low	67.7	Low	70 Å²	70	59.9 Å²	59.9	49%	0.49	33%	0.332	S	S	.	.	H	α-helix	trans	-45.7	-19.5	166.5	58.5	0	0	0	0	113.1	F157 C163	F157-S159 VanDerWaalsContact C-N 3.31Å; F157-S159 PolarHBondContact O-N 2.81Å; S159-C163 PolarHBondContact O-N 3.38Å; S159-C163 PolarHBondContact O-SG 3.08Å
160	S	74	Confident	68.6	Low	54 Å²	54	62.1 Å²	62.1	38%	0.378	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-44	174.3	75.9	0	0	0	0	113.8	S158 C163 K164	S158-S160 PolarHBondContact O-N 2.88Å; S160-C163 WeakPolarHBondContact O-CB 3.38Å; S160-C163 PolarHBondContact O-N 2.78Å; S160-K164 WeakPolarHBondContact O-CE 3.45Å; S160-K164 VanDerWaalsContact O-CG 3.28Å; S160-K164 WeakPolarHBondContact O-CG 3.42Å; S160-K164 PolarHBondContact O-N 2.83Å
161	D	78.7	Confident	69.3	Low	40 Å²	40	62.7 Å²	62.7	21%	0.214	33%	0.333	C	S	.	.	H	α-helix	trans	-71.4	-39.6	-172.3	-63.4	-34.9	0	0	0	111.9	F98 S158 C163 K164 Y165	F98-D161 VanDerWaalsContact CD2-OD1 3.3Å; F98-D161 WeakPolarHBondContact CD2-OD1 3.38Å; F98-D161 HydrophobicContact CE2-CB 3.95Å; F98-D161 VanDerWaalsContact CE2-OD1 3.25Å; F98-D161 WeakPolarHBondContact CE2-OD1 3.38Å; F98-D161 HydrophobicContact CZ-CB 4.14Å; S158-D161 PolarHBondContact O-N 2.94Å; S158-D161 PolarHBondContact OG-OD2 2.87Å; D161-C163 VanDerWaalsContact C-N 3.3Å; D161-C163 PolarHBondContact O-N 3.26Å; D161-K164 WeakPolarHBondContact O-CB 3.5Å; D161-K164 PolarHBondContact O-N 2.86Å; D161-K164 VanDerWaalsContact O-N 3.14Å; D161-K164 WeakPolarHBondContact OD1-CE 3.43Å; D161-K164 IonicContact OD1-NZ 2.84Å; D161-K164 PolarHBondContact OD1-NZ 3.48Å; D161-Y165 VanDerWaalsContact O-CD2 3.25Å; D161-Y165 WeakPolarHBondContact O-CD2 3.38Å; D161-Y165 PolarHBondContact O-N 2.87Å
162	V	80.6	Confident	70	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-43.5	171.9	176.4	0	0	0	0	110.5	V145 F151 K164 Y165 A166 L280 W283	V145-V162 HydrophobicContact CG1-CG1 3.95Å; F151-V162 HydrophobicContact CD1-CB 4.5Å; F151-V162 HydrophobicContact CD1-CG1 4.19Å; F151-V162 HydrophobicContact CD1-CG2 4.14Å; F151-V162 HydrophobicContact CD2-CG1 4.19Å; F151-V162 HydrophobicContact CE1-CB 4.11Å; F151-V162 HydrophobicContact CE1-CG1 3.64Å; F151-V162 HydrophobicContact CE1-CG2 3.58Å; F151-V162 HydrophobicContact CE2-CG1 3.64Å; F151-V162 HydrophobicContact CG-CG1 4.47Å; F151-V162 HydrophobicContact CZ-CB 4.33Å; F151-V162 HydrophobicContact CZ-CG1 3.38Å; F151-V162 HydrophobicContact CZ-CG2 4.11Å; V162-K164 VanDerWaalsContact C-N 3.26Å; V162-K164 PolarHBondContact O-N 3.4Å; V162-Y165 PolarHBondContact O-N 2.87Å; V162-A166 WeakPolarHBondContact O-CB 3.46Å; V162-A166 PolarHBondContact O-N 3.33Å; V162-L280 HydrophobicContact CG1-CD2 4.19Å; V162-W283 HydrophobicContact CG2-CD2 4.24Å; V162-W283 HydrophobicContact CG2-CE3 4.27Å; V162-W283 HydrophobicContact CG2-CH2 4.17Å; V162-W283 HydrophobicContact CG2-CZ2 4.05Å; V162-W283 HydrophobicContact CG2-CZ3 4.26Å
163	C	80.8	Confident	70.3	Confident	53 Å²	53	54.8 Å²	54.8	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-35.5	176.3	-71.2	0	0	0	0	112.1	S159 S160 D161 A166 Q167	S159-C163 PolarHBondContact O-N 3.38Å; S159-C163 PolarHBondContact O-SG 3.08Å; S160-C163 WeakPolarHBondContact O-CB 3.38Å; S160-C163 PolarHBondContact O-N 2.78Å; D161-C163 VanDerWaalsContact C-N 3.3Å; D161-C163 PolarHBondContact O-N 3.26Å; C163-A166 PolarHBondContact O-N 2.92Å; C163-Q167 VanDerWaalsContact O-CG 3.3Å; C163-Q167 WeakPolarHBondContact O-CG 3.39Å; C163-Q167 PolarHBondContact O-N 3.45Å
164	K	85.1	Confident	70.7	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-46.9	175.7	-65.1	166	-141.2	-180	0	111.3	D96 F98 S160 D161 V162 A166 Q167 L168	D96-K164 WeakPolarHBondContact OD2-CD 3.24Å; D96-K164 WeakPolarHBondContact OD2-CE 3.43Å; D96-K164 IonicContact OD2-NZ 2.78Å; D96-K164 PolarHBondContact OD2-NZ 3.04Å; F98-K164 HydrophobicContact CB-CD 3.48Å; F98-K164 VanDerWaalsContact CB-CD 3.48Å; F98-K164 HydrophobicContact CD1-CB 4.05Å; F98-K164 HydrophobicContact CD1-CD 3.74Å; F98-K164 HydrophobicContact CD2-CD 3.99Å; F98-K164 HydrophobicContact CE1-CB 4.35Å; F98-K164 HydrophobicContact CE1-CD 4.46Å; F98-K164 HydrophobicContact CG-CD 3.46Å; F98-K164 VanDerWaalsContact CG-CD 3.46Å; S160-K164 WeakPolarHBondContact O-CE 3.45Å; S160-K164 VanDerWaalsContact O-CG 3.28Å; S160-K164 WeakPolarHBondContact O-CG 3.42Å; S160-K164 PolarHBondContact O-N 2.83Å; D161-K164 WeakPolarHBondContact O-CB 3.5Å; D161-K164 PolarHBondContact O-N 2.86Å; D161-K164 VanDerWaalsContact O-N 3.14Å; D161-K164 WeakPolarHBondContact OD1-CE 3.43Å; D161-K164 IonicContact OD1-NZ 2.84Å; D161-K164 PolarHBondContact OD1-NZ 3.48Å; V162-K164 VanDerWaalsContact C-N 3.26Å; V162-K164 PolarHBondContact O-N 3.4Å; K164-A166 VanDerWaalsContact C-N 3.27Å; K164-A166 PolarHBondContact O-N 3.48Å; K164-Q167 WeakPolarHBondContact O-CB 3.5Å; K164-Q167 PolarHBondContact O-N 3.34Å; K164-Q167 VanDerWaalsContact O-N 3.1Å; K164-L168 WeakPolarHBondContact O-CG 3.28Å; K164-L168 PolarHBondContact O-N 2.92Å
165	Y	86.8	Confident	71.3	Confident	33 Å²	33	48.2 Å²	48.2	13%	0.129	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-38	173.5	-76.8	-64.9	0	0	0	112.4	F98 F100 D161 V162 L168 L169 I276 L280	F98-Y165 HydrophobicContact CE1-CD2 4.32Å; F98-Y165 HydrophobicContact CE1-CE1 4.3Å; F98-Y165 AromaticContact CE1-CE2 3.86Å; F98-Y165 HydrophobicContact CE1-CE2 3.86Å; F98-Y165 AromaticContact CE1-CZ 3.85Å; F98-Y165 HydrophobicContact CZ-CD2 4.28Å; F98-Y165 AromaticContact CZ-CE2 3.55Å; F98-Y165 HydrophobicContact CZ-CE2 3.55Å; F98-Y165 AromaticContact CZ-CZ 3.78Å; F100-Y165 HydrophobicContact CB-CE1 3.89Å; D161-Y165 VanDerWaalsContact O-CD2 3.25Å; D161-Y165 WeakPolarHBondContact O-CD2 3.38Å; D161-Y165 PolarHBondContact O-N 2.87Å; V162-Y165 PolarHBondContact O-N 2.87Å; Y165-L168 HydrophobicContact CD1-CD1 4.13Å; Y165-L168 WeakPolarHBondContact O-CB 3.38Å; Y165-L168 PolarHBondContact O-N 2.99Å; Y165-L169 PolarHBondContact O-N 3.33Å; Y165-I276 HydrophobicContact CD1-CD1 4.14Å; Y165-I276 HydrophobicContact CD1-CG2 3.81Å; Y165-I276 HydrophobicContact CE1-CD1 4.32Å; Y165-I276 HydrophobicContact CG-CG2 4.45Å; Y165-L280 HydrophobicContact CD2-CD2 4.13Å; Y165-L280 HydrophobicContact CG-CD2 4.18Å; Y165-L280 HydrophobicContact CG-CG 4.25Å
166	A	84.4	Confident	72.2	Confident	3 Å²	3	52.1 Å²	52.1	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-40.8	173.4	0	0	0	0	0	112	V145 V162 C163 K164 L169 R170	V145-A166 HydrophobicContact CB-CB 4.07Å; V162-A166 WeakPolarHBondContact O-CB 3.46Å; V162-A166 PolarHBondContact O-N 3.33Å; C163-A166 PolarHBondContact O-N 2.92Å; K164-A166 VanDerWaalsContact C-N 3.27Å; K164-A166 PolarHBondContact O-N 3.48Å; A166-L169 PolarHBondContact O-N 2.88Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 2.93Å; A166-R170 VanDerWaalsContact O-N 3.13Å
167	Q	85	Confident	73.6	Confident	85 Å²	85	48.9 Å²	48.9	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-45.2	172.2	-74	168.2	6.7	0	0	111.5	C163 K164 L169 R170 D171	C163-Q167 VanDerWaalsContact O-CG 3.3Å; C163-Q167 WeakPolarHBondContact O-CG 3.39Å; C163-Q167 PolarHBondContact O-N 3.45Å; K164-Q167 WeakPolarHBondContact O-CB 3.5Å; K164-Q167 PolarHBondContact O-N 3.34Å; K164-Q167 VanDerWaalsContact O-N 3.1Å; Q167-L169 VanDerWaalsContact C-N 3.29Å; Q167-L169 PolarHBondContact O-N 2.92Å; Q167-R170 VanDerWaalsContact CG-NH2 3.29Å; Q167-R170 PolarHBondContact O-N 2.97Å; Q167-R170 VanDerWaalsContact O-N 3.1Å; Q167-D171 PolarHBondContact O-N 3.18Å
168	L	87.2	Confident	75.4	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-35.7	178.1	-66.6	173.3	0	0	0	112.9	I79 V93 F100 K164 Y165 I276	I79-L168 HydrophobicContact CD1-CD2 3.67Å; V93-L168 HydrophobicContact CG2-CD1 4.27Å; V93-L168 HydrophobicContact CG2-CD2 4.11Å; V93-L168 HydrophobicContact CG2-CG 4.48Å; F100-L168 HydrophobicContact CB-CD1 3.66Å; F100-L168 HydrophobicContact CD1-CD1 3.91Å; F100-L168 HydrophobicContact CD1-CD2 4.5Å; F100-L168 HydrophobicContact CD2-CD1 3.67Å; F100-L168 HydrophobicContact CE1-CD1 4.47Å; F100-L168 HydrophobicContact CE1-CD2 4.44Å; F100-L168 HydrophobicContact CE2-CD1 4.27Å; F100-L168 HydrophobicContact CG-CD1 3.46Å; F100-L168 VanDerWaalsContact CG-CD1 3.46Å; K164-L168 WeakPolarHBondContact O-CG 3.28Å; K164-L168 PolarHBondContact O-N 2.92Å; Y165-L168 HydrophobicContact CD1-CD1 4.13Å; Y165-L168 WeakPolarHBondContact O-CB 3.38Å; Y165-L168 PolarHBondContact O-N 2.99Å; L168-I276 HydrophobicContact CB-CD1 4.45Å; L168-I276 HydrophobicContact CD1-CD1 4.06Å
169	L	85.8	Confident	77	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-41.7	173.5	-71.7	171.7	0	0	0	111.8	V145 Y165 A166 Q167 D171 I172 I276 L280	V145-L169 HydrophobicContact CG2-CD1 4.24Å; Y165-L169 PolarHBondContact O-N 3.33Å; A166-L169 PolarHBondContact O-N 2.88Å; Q167-L169 VanDerWaalsContact C-N 3.29Å; Q167-L169 PolarHBondContact O-N 2.92Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-D171 PolarHBondContact O-N 3.21Å; L169-I172 HydrophobicContact CD2-CD1 4.48Å; L169-I172 PolarHBondContact O-N 3.5Å; L169-I276 HydrophobicContact CD1-CG2 4.16Å; L169-I276 HydrophobicContact CD2-CB 3.83Å; L169-I276 HydrophobicContact CD2-CG2 3.69Å; L169-I276 HydrophobicContact CG-CB 4.31Å; L169-I276 HydrophobicContact CG-CG2 3.61Å; L169-L280 HydrophobicContact CD1-CD1 4.03Å
170	R	81.2	Confident	78.3	Confident	109 Å²	109	39.5 Å²	39.5	41%	0.411	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-32.5	178.9	-68.8	-172.4	-56.1	-142.3	5.3	113.1	D144 A166 Q167 I172 D173	D144-R170 IonicContact OD1-NH1 2.68Å; D144-R170 IonicContact OD2-CZ 2.77Å; D144-R170 IonicContact OD2-NH1 3.82Å; D144-R170 PolarHBondContact OD2-NH1 2.86Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 2.93Å; A166-R170 VanDerWaalsContact O-N 3.13Å; Q167-R170 VanDerWaalsContact CG-NH2 3.29Å; Q167-R170 PolarHBondContact O-N 2.97Å; Q167-R170 VanDerWaalsContact O-N 3.1Å; R170-I172 PolarHBondContact O-N 2.93Å; R170-I172 VanDerWaalsContact O-N 3.16Å; R170-D173 PolarHBondContact O-N 3.47Å
171	D	77.4	Confident	79.2	Confident	35 Å²	35	36.9 Å²	36.9	19%	0.187	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.2	-179.8	-78.7	-17.7	0	0	0	113.2	K78 Q167 L169 N175	K78-D171 VanDerWaalsContact CD-OD2 3.3Å; K78-D171 WeakPolarHBondContact CD-OD2 3.04Å; K78-D171 IonicContact NZ-OD1 3.02Å; K78-D171 PolarHBondContact NZ-OD1 2.93Å; K78-D171 IonicContact NZ-OD2 3.57Å; Q167-D171 PolarHBondContact O-N 3.18Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-D171 PolarHBondContact O-N 3.21Å; D171-N175 PolarHBondContact O-ND2 2.74Å
172	I	76.4	Confident	79.8	Confident	13 Å²	13	35.1 Å²	35.1	7%	0.067	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-41.1	177.4	-52.1	165.3	0	0	0	110.6	L169 R170 G174 N175 Y272 S273	L169-I172 HydrophobicContact CD2-CD1 4.48Å; L169-I172 PolarHBondContact O-N 3.5Å; R170-I172 PolarHBondContact O-N 2.93Å; R170-I172 VanDerWaalsContact O-N 3.16Å; I172-G174 PolarHBondContact O-N 3.5Å; I172-G174 VanDerWaalsContact O-N 3.1Å; I172-N175 PolarHBondContact O-N 2.89Å; I172-Y272 HydrophobicContact CD1-CD1 3.4Å; I172-Y272 VanDerWaalsContact CD1-CD1 3.4Å; I172-Y272 HydrophobicContact CD1-CE1 3.79Å; I172-Y272 HydrophobicContact CG1-CD1 3.77Å; I172-Y272 HydrophobicContact CG1-CE1 3.87Å; I172-S273 WeakPolarHBondContact CD1-OG 3.5Å
173	D	59.6	Low	80.3	Confident	31 Å²	31	35 Å²	35	17%	0.166	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.5	-166.2	-64.2	-23.3	0	0	0	114.3	R135 N136 R170	R135-D173 PolarHBondContact NE-O 3.36Å; N136-D173 WeakPolarHBondContact CB-OD1 3.22Å; R170-D173 PolarHBondContact O-N 3.47Å
174	G	56.8	Low	80.6	Confident	56 Å²	56	32.5 Å²	32.5	58%	0.577	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-5.4	177.9	0	0	0	0	0	115	I172 K176	I172-G174 PolarHBondContact O-N 3.5Å; I172-G174 VanDerWaalsContact O-N 3.1Å; G174-K176 PolarHBondContact O-N 2.99Å
175	N	57	Low	80.7	Confident	37 Å²	37	31.5 Å²	31.5	20%	0.198	16%	0.156	C	C	.	.			trans	-89	106.2	-170.2	-82.3	-12	0	0	0	111.3	D171 I172 Y177	D171-N175 PolarHBondContact O-ND2 2.74Å; I172-N175 PolarHBondContact O-N 2.89Å; N175-Y177 PolarHBondContact O-N 3.31Å
176	K	64.9	Low	80.5	Confident	154 Å²	154	35.3 Å²	35.3	67%	0.67	17%	0.173	S	C	*	.			trans	-68.1	16	165.1	-63.5	-173.9	177.1	-174.1	0	113.3	G174	G174-K176 PolarHBondContact O-N 2.99Å
177	Y	75.5	Confident	80.2	Confident	86 Å²	86	36.8 Å²	36.8	34%	0.337	18%	0.181	S	C	.	.			trans	-131.5	130.9	-159.6	-67.1	-49.8	0	0	0	108.1	N116 N175 P179	N116-Y177 WeakPolarHBondContact ND2-CB 3.5Å; N116-Y177 WeakPolarHBondContact ND2-CD1 3.31Å; N116-Y177 WeakPolarHBondContact OD1-CA 3.28Å; N116-Y177 WeakPolarHBondContact OD1-CB 3.49Å; N175-Y177 PolarHBondContact O-N 3.31Å; Y177-P179 WeakPolarHBondContact O-CD 3.32Å
178	F	85.9	Confident	80.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	88.4	176.2	175.1	-153.8	0	0	0	109.5	N116 Y117 I180 F194 I199 F257 L264 M265 S268	N116-F178 PolarHBondContact OD1-N 3.04Å; N116-F178 VanDerWaalsContact OD1-N 3.16Å; Y117-F178 WeakPolarHBondContact CB-O 3.34Å; Y117-F178 HydrophobicContact CD1-CB 4.06Å; Y117-F178 AromaticContact CD1-CD1 3.78Å; Y117-F178 HydrophobicContact CD1-CD1 3.78Å; Y117-F178 HydrophobicContact CD1-CG 4.43Å; Y117-F178 HydrophobicContact CG-CB 4.39Å; Y117-F178 AromaticContact CG-CD1 3.87Å; Y117-F178 HydrophobicContact CG-CD1 3.87Å; Y117-F178 PolarHBondContact N-O 3.02Å; Y117-F178 WeakPolarHBondContact O-CB 3.32Å; Y117-F178 PolarHBondContact O-N 3.17Å; F178-I180 HydrophobicContact CD1-CD1 4.12Å; F178-I180 HydrophobicContact CD1-CG1 4.28Å; F178-I180 HydrophobicContact CD2-CG1 4.32Å; F178-I180 HydrophobicContact CE1-CD1 3.95Å; F178-I180 HydrophobicContact CE1-CG1 4.09Å; F178-I180 HydrophobicContact CE2-CG1 4.14Å; F178-I180 HydrophobicContact CG-CG1 4.4Å; F178-I180 HydrophobicContact CZ-CD1 4.35Å; F178-I180 HydrophobicContact CZ-CG1 4.03Å; F178-I180 PolarHBondContact O-N 2.87Å; F178-F194 HydrophobicContact CD2-CD2 4.04Å; F178-F194 AromaticContact CD2-CE2 3.74Å; F178-F194 HydrophobicContact CD2-CE2 3.74Å; F178-F194 HydrophobicContact CE2-CD2 4.17Å; F178-F194 HydrophobicContact CE2-CE2 4.23Å; F178-I199 HydrophobicContact CE1-CD1 4.32Å; F178-I199 HydrophobicContact CE2-CD1 4.37Å; F178-I199 HydrophobicContact CZ-CD1 3.59Å; F178-F257 HydrophobicContact CE1-CE1 4.16Å; F178-L264 HydrophobicContact CE1-CB 3.83Å; F178-L264 HydrophobicContact CZ-CB 4.04Å; F178-M265 HydrophobicContact CB-CB 3.92Å; F178-M265 HydrophobicContact CB-CG 3.7Å; F178-M265 HydrophobicContact CB-SD 3.96Å; F178-M265 HydrophobicContact CD1-CB 3.86Å; F178-M265 HydrophobicContact CD2-CB 4.12Å; F178-M265 HydrophobicContact CD2-CG 4.21Å; F178-M265 HydrophobicContact CE1-CB 4.38Å; F178-M265 HydrophobicContact CG-CB 3.72Å; F178-M265 HydrophobicContact CG-CG 3.94Å; F178-S268 WeakPolarHBondContact CE2-OG 3.29Å
179	P	90.2	Very high	80.2	Confident	4 Å²	4	33.5 Å²	33.5	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.2	179.8	29.8	-35.5	0	0	0	110.4	R74 W114 T115 Y177 F194	R74-P179 HydrophobicContact CG-CB 3.97Å; W114-P179 HydrophobicContact CE3-CB 3.92Å; W114-P179 HydrophobicContact CZ3-CB 3.74Å; W114-P179 HydrophobicContact CZ3-CG 4.41Å; T115-P179 CarbonylContact O-C 3.58Å; T115-P179 WeakPolarHBondContact O-CA 3.48Å; Y177-P179 WeakPolarHBondContact O-CD 3.32Å; P179-F194 VanDerWaalsContact CD-CE1 3.49Å; P179-F194 HydrophobicContact CG-CD1 3.48Å; P179-F194 VanDerWaalsContact CG-CD1 3.48Å; P179-F194 HydrophobicContact CG-CE1 3.67Å; P179-F194 HydrophobicContact CG-CG 3.96Å; P179-F194 HydrophobicContact CG-CZ 4.29Å; P179-F194 PolarHBondContact O-N 2.81Å
180	I	90.8	Very high	80.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.9	178.7	-61	166.1	0	0	0	108.3	W114 T115 F178 F191 Y192 I199 F257	W114-I180 WeakPolarHBondContact CA-O 3.25Å; W114-I180 VanDerWaalsContact CE3-C 3.46Å; T115-I180 PolarHBondContact N-O 3.02Å; T115-I180 PolarHBondContact O-N 3.16Å; T115-I180 PolarHBondContact OG1-O 2.83Å; F178-I180 HydrophobicContact CD1-CD1 4.12Å; F178-I180 HydrophobicContact CD1-CG1 4.28Å; F178-I180 HydrophobicContact CD2-CG1 4.32Å; F178-I180 HydrophobicContact CE1-CD1 3.95Å; F178-I180 HydrophobicContact CE1-CG1 4.09Å; F178-I180 HydrophobicContact CE2-CG1 4.14Å; F178-I180 HydrophobicContact CG-CG1 4.4Å; F178-I180 HydrophobicContact CZ-CD1 4.35Å; F178-I180 HydrophobicContact CZ-CG1 4.03Å; F178-I180 PolarHBondContact O-N 2.87Å; I180-F191 HydrophobicContact CG2-CB 4.24Å; I180-F191 HydrophobicContact CG2-CD1 3.75Å; I180-F191 HydrophobicContact CG2-CG 4.48Å; I180-Y192 CarbonylContact C-O 3.49Å; I180-Y192 WeakPolarHBondContact CA-O 3.44Å; I180-I199 HydrophobicContact CG1-CD1 4.2Å; I180-I199 HydrophobicContact CG2-CD1 4.3Å; I180-F257 HydrophobicContact CD1-CD1 4.11Å; I180-F257 HydrophobicContact CD1-CE1 3.41Å; I180-F257 VanDerWaalsContact CD1-CE1 3.41Å; I180-F257 HydrophobicContact CD1-CZ 3.85Å
181	L	93.4	Very high	80.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.7	172.7	178.5	71	0	0	0	109.3	T72 F91 L112 W114 V183 F191 Y192	T72-L181 HydrophobicContact CG2-CD1 4Å; F91-L181 HydrophobicContact CE1-CD2 3.92Å; F91-L181 HydrophobicContact CZ-CD2 3.55Å; L112-L181 HydrophobicContact CD1-CD1 3.8Å; L112-L181 HydrophobicContact CD1-CD2 4.34Å; L112-L181 HydrophobicContact CD1-CG 4.3Å; L112-L181 HydrophobicContact CG-CD1 4.24Å; W114-L181 HydrophobicContact CD2-CB 3.95Å; W114-L181 HydrophobicContact CD2-CD1 3.89Å; W114-L181 HydrophobicContact CE3-CB 3.79Å; W114-L181 HydrophobicContact CG-CD1 3.98Å; W114-L181 HydrophobicContact CH2-CB 4.02Å; W114-L181 HydrophobicContact CZ2-CB 4.16Å; W114-L181 HydrophobicContact CZ2-CD1 4.47Å; W114-L181 HydrophobicContact CZ3-CB 3.81Å; L181-V183 HydrophobicContact CD2-CG2 3.86Å; L181-V183 HydrophobicContact CG-CG2 3.92Å; L181-F191 CarbonylContact O-C 3.48Å; L181-F191 WeakPolarHBondContact O-CA 3.44Å; L181-Y192 PolarHBondContact N-O 3.08Å; L181-Y192 PolarHBondContact O-N 3.04Å
182	T	90.4	Very high	81.5	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	171.2	-49	0	0	0	0	109	L112 L113 V189 Y190 F191	L112-T182 WeakPolarHBondContact CA-O 3.44Å; L113-T182 PolarHBondContact N-O 3.1Å; L113-T182 PolarHBondContact O-N 2.93Å; T182-V189 HydrophobicContact CG2-CG1 3.84Å; T182-Y190 CarbonylContact C-O 3.51Å; T182-Y190 VanDerWaalsContact CA-O 3.32Å; T182-Y190 WeakPolarHBondContact CA-O 3.33Å; T182-F191 HydrophobicContact CG2-CD1 4.3Å; T182-F191 HydrophobicContact CG2-CE1 3.72Å; T182-F191 HydrophobicContact CG2-CZ 4.03Å; T182-F191 VanDerWaalsContact OG1-CE1 3.23Å; T182-F191 WeakPolarHBondContact OG1-CE1 3.4Å
183	V	91.3	Very high	82.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.9	176.9	-171.2	0	0	0	0	108.5	F105 I109 L112 L181 V189 Y190 Y192	F105-V183 HydrophobicContact CD1-CG1 4.49Å; F105-V183 HydrophobicContact CD2-CG1 4.46Å; F105-V183 HydrophobicContact CE1-CB 4.44Å; F105-V183 HydrophobicContact CE1-CG1 4.02Å; F105-V183 HydrophobicContact CE2-CG1 3.97Å; F105-V183 HydrophobicContact CZ-CB 4.1Å; F105-V183 HydrophobicContact CZ-CG1 3.74Å; F105-V183 HydrophobicContact CZ-CG2 4.12Å; I109-V183 HydrophobicContact CD1-CG1 3.63Å; I109-V183 HydrophobicContact CG1-CG1 4.2Å; I109-V183 HydrophobicContact CG2-CG1 3.81Å; L112-V183 HydrophobicContact CD1-CB 4.42Å; L112-V183 HydrophobicContact CD1-CG1 4.33Å; L112-V183 HydrophobicContact CD1-CG2 3.79Å; L181-V183 HydrophobicContact CD2-CG2 3.86Å; L181-V183 HydrophobicContact CG-CG2 3.92Å; V183-V189 CarbonylContact O-C 3.59Å; V183-Y190 PolarHBondContact N-O 2.84Å; V183-Y190 PolarHBondContact O-N 3.06Å; V183-Y192 HydrophobicContact CG2-CD2 4.01Å; V183-Y192 HydrophobicContact CG2-CE2 4.01Å
184	Y	87.7	Confident	83.8	Confident	1 Å²	1	27.5 Å²	27.5	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.1	172.3	179.8	-105.9	0	0	0	111	D110 Y111 N187 T188 V189 L204 L220	D110-Y184 HydrophobicContact CB-CD1 3.72Å; D110-Y184 HydrophobicContact CB-CE1 4.15Å; D110-Y184 PolarHBondContact N-O 3.44Å; Y111-Y184 PolarHBondContact O-N 2.96Å; Y184-N187 VanDerWaalsContact OH-CA 3.32Å; Y184-N187 WeakPolarHBondContact OH-CA 3.33Å; Y184-N187 PolarHBondContact OH-OD1 3.4Å; Y184-T188 WeakPolarHBondContact CA-O 3.25Å; Y184-T188 VanDerWaalsContact CD2-O 3.31Å; Y184-T188 WeakPolarHBondContact CD2-O 3.49Å; Y184-V189 HydrophobicContact CD2-CB 4.46Å; Y184-V189 HydrophobicContact CD2-CG2 3.55Å; Y184-V189 HydrophobicContact CE2-CG2 4.09Å; Y184-L204 HydrophobicContact CD2-CD1 4.34Å; Y184-L204 HydrophobicContact CE2-CD1 3.51Å; Y184-L220 HydrophobicContact CD1-CB 3.39Å; Y184-L220 HydrophobicContact CD1-CD2 3.86Å; Y184-L220 HydrophobicContact CD1-CG 4.14Å; Y184-L220 HydrophobicContact CD2-CD2 4.17Å; Y184-L220 HydrophobicContact CE1-CB 3.43Å; Y184-L220 VanDerWaalsContact CE1-CB 3.43Å; Y184-L220 HydrophobicContact CE1-CG 4.4Å; Y184-L220 HydrophobicContact CE2-CD1 4.41Å; Y184-L220 HydrophobicContact CG-CB 4.06Å; Y184-L220 HydrophobicContact CG-CD2 3.65Å; Y184-L220 HydrophobicContact CG-CG 4.33Å
185	S	86.9	Confident	85.5	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	134.5	-179.6	-171.6	0	0	0	0	109.8	S107 T108 N187 T188	S107-S185 PolarHBondContact OG-OG 3.4Å; T108-S185 PolarHBondContact O-OG 2.79Å; S185-N187 PolarHBondContact O-N 3.4Å; S185-T188 PolarHBondContact N-O 3.02Å; S185-T188 PolarHBondContact O-N 3.36Å
186	K	82.9	Confident	87.3	Confident	113 Å²	113	23.5 Å²	23.5	49%	0.491	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.3	59.1	-178.7	-56.5	-162.6	-178.9	175.9	0	113.5	P106 S107 T188	P106-K186 HydrophobicContact CB-CD 4.46Å; P106-K186 HydrophobicContact CG-CD 4.1Å; P106-K186 VanDerWaalsContact O-CE 3.25Å; P106-K186 WeakPolarHBondContact O-CE 3.47Å; P106-K186 PolarHBondContact O-NZ 3.06Å; S107-K186 WeakPolarHBondContact OG-CE 3.48Å; S107-K186 WeakPolarHBondContact OG-CG 3.19Å; K186-T188 PolarHBondContact O-N 2.84Å; K186-T188 PolarHBondContact O-OG1 3.48Å
187	N	78.9	Confident	88.6	Confident	35 Å²	35	16.4 Å²	16.4	19%	0.187	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	10.1	175.2	-57.6	3.5	0	0	0	115	Y184 S185 N203 L204 H205 S218	Y184-N187 VanDerWaalsContact OH-CA 3.32Å; Y184-N187 WeakPolarHBondContact OH-CA 3.33Å; Y184-N187 PolarHBondContact OH-OD1 3.4Å; S185-N187 PolarHBondContact O-N 3.4Å; N187-N203 CarbonylContact O-C 3.59Å; N187-N203 WeakPolarHBondContact O-CA 3.21Å; N187-L204 PolarHBondContact O-N 2.81Å; N187-H205 WeakPolarHBondContact CB-ND1 3.35Å; N187-H205 VanDerWaalsContact CG-CE1 3.45Å; N187-H205 PolarHBondContact ND2-CE1 3Å; N187-H205 PolarHBondContact ND2-ND1 3.02Å; N187-H205 PolarHBondContact ND2-NE2 3.01Å; N187-S218 PolarHBondContact ND2-OG 2.82Å; N187-S218 PolarHBondContact OD1-OG 3.32Å
188	T	84.5	Confident	89.5	Confident	17 Å²	17	13 Å²	13	10%	0.104	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.8	-179.5	-51.9	0	0	0	0	110.2	Y184 S185 K186 Y190 A201 Y202	Y184-T188 WeakPolarHBondContact CA-O 3.25Å; Y184-T188 VanDerWaalsContact CD2-O 3.31Å; Y184-T188 WeakPolarHBondContact CD2-O 3.49Å; S185-T188 PolarHBondContact N-O 3.02Å; S185-T188 PolarHBondContact O-N 3.36Å; K186-T188 PolarHBondContact O-N 2.84Å; K186-T188 PolarHBondContact O-OG1 3.48Å; T188-Y190 HydrophobicContact CG2-CD1 4.45Å; T188-Y190 HydrophobicContact CG2-CD2 4.15Å; T188-Y190 HydrophobicContact CG2-CE1 3.94Å; T188-Y190 HydrophobicContact CG2-CE2 3.6Å; T188-Y190 VanDerWaalsContact CG2-CZ 3.47Å; T188-A201 HydrophobicContact CG2-CB 4.37Å; T188-Y202 CarbonylContact C-O 3.55Å; T188-Y202 VanDerWaalsContact CA-O 3.31Å; T188-Y202 WeakPolarHBondContact CA-O 3.25Å
189	V	85.9	Confident	89.7	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.8	175.5	-175.4	0	0	0	0	107.8	T182 V183 Y184 F191 A201 Y202 L204 I234	T182-V189 HydrophobicContact CG2-CG1 3.84Å; V183-V189 CarbonylContact O-C 3.59Å; Y184-V189 HydrophobicContact CD2-CB 4.46Å; Y184-V189 HydrophobicContact CD2-CG2 3.55Å; Y184-V189 HydrophobicContact CE2-CG2 4.09Å; V189-F191 HydrophobicContact CG1-CD2 4.46Å; V189-F191 HydrophobicContact CG1-CE2 3.73Å; V189-F191 HydrophobicContact CG1-CZ 3.89Å; V189-A201 WeakPolarHBondContact O-CA 3.44Å; V189-Y202 PolarHBondContact N-O 2.82Å; V189-Y202 PolarHBondContact O-N 2.92Å; V189-L204 HydrophobicContact CG2-CD1 3.98Å; V189-L204 HydrophobicContact CG2-CG 4.22Å; V189-I234 HydrophobicContact CB-CD1 4.47Å; V189-I234 HydrophobicContact CG1-CD1 4.32Å; V189-I234 HydrophobicContact CG2-CD1 3.84Å
190	Y	90	Very high	89.6	Confident	43 Å²	43	12.9 Å²	12.9	17%	0.169	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.8	178.4	-58.9	-93.5	0	0	0	110.4	F105 T182 V183 T188 Y192 A200 A201	F105-Y190 HydrophobicContact CD1-CD2 4.3Å; F105-Y190 HydrophobicContact CD1-CE2 4.06Å; F105-Y190 HydrophobicContact CE1-CD1 4.44Å; F105-Y190 AromaticContact CE1-CD2 3.75Å; F105-Y190 HydrophobicContact CE1-CD2 3.75Å; F105-Y190 AromaticContact CE1-CE2 3.92Å; F105-Y190 HydrophobicContact CE1-CE2 3.92Å; F105-Y190 HydrophobicContact CE1-CG 4.03Å; T182-Y190 CarbonylContact C-O 3.51Å; T182-Y190 VanDerWaalsContact CA-O 3.32Å; T182-Y190 WeakPolarHBondContact CA-O 3.33Å; V183-Y190 PolarHBondContact N-O 2.84Å; V183-Y190 PolarHBondContact O-N 3.06Å; T188-Y190 HydrophobicContact CG2-CD1 4.45Å; T188-Y190 HydrophobicContact CG2-CD2 4.15Å; T188-Y190 HydrophobicContact CG2-CE1 3.94Å; T188-Y190 HydrophobicContact CG2-CE2 3.6Å; T188-Y190 VanDerWaalsContact CG2-CZ 3.47Å; Y190-Y192 VanDerWaalsContact CB-CE2 3.47Å; Y190-Y192 HydrophobicContact CG-CE2 4.25Å; Y190-A200 CarbonylContact C-O 3.53Å; Y190-A200 WeakPolarHBondContact CA-O 3.5Å; Y190-A201 HydrophobicContact CD1-CB 3.61Å; Y190-A201 HydrophobicContact CE1-CB 3.69Å
191	F	90.3	Very high	89.4	Confident	3 Å²	3	13.5 Å²	13.5	1%	0.013	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.2	172.6	-71	-76.3	0	0	0	110.3	I180 L181 T182 V189 I199 A200 L232 L580	I180-F191 HydrophobicContact CG2-CB 4.24Å; I180-F191 HydrophobicContact CG2-CD1 3.75Å; I180-F191 HydrophobicContact CG2-CG 4.48Å; L181-F191 CarbonylContact O-C 3.48Å; L181-F191 WeakPolarHBondContact O-CA 3.44Å; T182-F191 HydrophobicContact CG2-CD1 4.3Å; T182-F191 HydrophobicContact CG2-CE1 3.72Å; T182-F191 HydrophobicContact CG2-CZ 4.03Å; T182-F191 VanDerWaalsContact OG1-CE1 3.23Å; T182-F191 WeakPolarHBondContact OG1-CE1 3.4Å; V189-F191 HydrophobicContact CG1-CD2 4.46Å; V189-F191 HydrophobicContact CG1-CE2 3.73Å; V189-F191 HydrophobicContact CG1-CZ 3.89Å; F191-I199 HydrophobicContact CB-CB 4.11Å; F191-I199 PolarHBondContact O-N 3.1Å; F191-A200 HydrophobicContact CB-CB 4.42Å; F191-A200 HydrophobicContact CD2-CB 4.07Å; F191-A200 PolarHBondContact N-O 2.9Å; F191-L232 HydrophobicContact CE1-CD1 4.35Å; F191-L232 HydrophobicContact CE1-CD2 4.49Å; F191-L232 HydrophobicContact CE2-CD2 3.75Å; F191-L232 HydrophobicContact CZ-CD1 3.87Å; F191-L232 HydrophobicContact CZ-CD2 3.36Å; F191-L232 HydrophobicContact CZ-CG 4.25Å; F191-L580 HydrophobicContact CD2-CD1 4.04Å; F191-L580 HydrophobicContact CE2-CD1 3.82Å
192	Y	93	Very high	88.8	Confident	15 Å²	15	13.6 Å²	13.6	6%	0.059	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.1	178.1	-63.7	-85.4	0	0	0	112.1	L103 F105 I180 L181 V183 Y190 F194 G195 F197 E198	L103-Y192 HydrophobicContact CD1-CD2 4.39Å; L103-Y192 HydrophobicContact CD1-CE2 4.31Å; F105-Y192 HydrophobicContact CE1-CE2 4.34Å; F105-Y192 AromaticContact CZ-CE2 3.8Å; F105-Y192 HydrophobicContact CZ-CE2 3.8Å; I180-Y192 CarbonylContact C-O 3.49Å; I180-Y192 WeakPolarHBondContact CA-O 3.44Å; L181-Y192 PolarHBondContact N-O 3.08Å; L181-Y192 PolarHBondContact O-N 3.04Å; V183-Y192 HydrophobicContact CG2-CD2 4.01Å; V183-Y192 HydrophobicContact CG2-CE2 4.01Å; Y190-Y192 VanDerWaalsContact CB-CE2 3.47Å; Y190-Y192 HydrophobicContact CG-CE2 4.25Å; Y192-F194 PolarHBondContact O-N 3.04Å; Y192-G195 PolarHBondContact O-N 3.43Å; Y192-F197 CarbonylContact C-O 3.52Å; Y192-F197 WeakPolarHBondContact CA-O 3.28Å; Y192-E198 HydrophobicContact CD1-CB 4.06Å; Y192-E198 HydrophobicContact CD1-CG 4.25Å; Y192-E198 HydrophobicContact CE1-CB 3.78Å; Y192-E198 HydrophobicContact CE1-CG 3.67Å
193	G	91.8	Very high	88.3	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	126.9	170.9	0	0	0	0	0	110.9	G195 V196 F197	G193-G195 PolarHBondContact O-N 3.04Å; G193-V196 PolarHBondContact O-N 2.69Å; G193-F197 PolarHBondContact N-O 2.75Å; G193-F197 PolarHBondContact O-N 3.2Å
194	F	91.3	Very high	87.5	Confident	8 Å²	8	16 Å²	16	4%	0.035	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	21.8	-170.6	-66.2	-95.9	0	0	0	113.5	W114 F178 P179 Y192 V196 M265 Y272	W114-F194 VanDerWaalsContact CH2-C 3.48Å; F178-F194 HydrophobicContact CD2-CD2 4.04Å; F178-F194 AromaticContact CD2-CE2 3.74Å; F178-F194 HydrophobicContact CD2-CE2 3.74Å; F178-F194 HydrophobicContact CE2-CD2 4.17Å; F178-F194 HydrophobicContact CE2-CE2 4.23Å; P179-F194 VanDerWaalsContact CD-CE1 3.49Å; P179-F194 HydrophobicContact CG-CD1 3.48Å; P179-F194 VanDerWaalsContact CG-CD1 3.48Å; P179-F194 HydrophobicContact CG-CE1 3.67Å; P179-F194 HydrophobicContact CG-CG 3.96Å; P179-F194 HydrophobicContact CG-CZ 4.29Å; P179-F194 PolarHBondContact O-N 2.81Å; Y192-F194 PolarHBondContact O-N 3.04Å; F194-V196 PolarHBondContact O-N 2.92Å; F194-M265 HydrophobicContact CE2-CG 4.42Å; F194-Y272 HydrophobicContact CB-CD2 3.75Å; F194-Y272 HydrophobicContact CB-CG 3.96Å; F194-Y272 WeakPolarHBondContact O-CD2 3.43Å
195	G	93.1	Very high	86.7	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	5.7	-178.9	0	0	0	0	0	114.9	W114 Y192 G193	W114-G195 VanDerWaalsContact CH2-N 3.29Å; Y192-G195 PolarHBondContact O-N 3.43Å; G193-G195 PolarHBondContact O-N 3.04Å
196	V	94	Very high	85.4	Confident	10 Å²	10	22 Å²	22	6%	0.061	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-51.3	-175.4	173.9	0	0	0	0	111.5	G193 F194 Y272 K275 I567	G193-V196 PolarHBondContact O-N 2.69Å; F194-V196 PolarHBondContact O-N 2.92Å; V196-Y272 HydrophobicContact CB-CD2 4.4Å; V196-Y272 HydrophobicContact CG2-CD2 3.64Å; V196-Y272 HydrophobicContact CG2-CE2 4.33Å; V196-K275 HydrophobicContact CG1-CB 3.92Å; V196-K275 HydrophobicContact CG1-CG 4.15Å; V196-K275 HydrophobicContact CG2-CG 4.35Å; V196-I567 HydrophobicContact CG1-CD1 3.94Å; V196-I567 HydrophobicContact CG1-CG2 3.93Å; V196-I567 WeakPolarHBondContact O-CG2 3.49Å
197	F	93.7	Very high	83.8	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.5	-173.5	-174.5	-102.8	0	0	0	111.6	Y192 G193 I199 L264 L267 S268 A271 I400	Y192-F197 CarbonylContact C-O 3.52Å; Y192-F197 WeakPolarHBondContact CA-O 3.28Å; G193-F197 PolarHBondContact N-O 2.75Å; G193-F197 PolarHBondContact O-N 3.2Å; F197-I199 HydrophobicContact CD1-CG1 4.12Å; F197-I199 PolarHBondContact O-N 3.21Å; F197-L264 HydrophobicContact CE1-CD2 4.36Å; F197-L267 HydrophobicContact CE1-CB 4.12Å; F197-L267 HydrophobicContact CE2-CB 3.99Å; F197-L267 HydrophobicContact CZ-CB 3.53Å; F197-L267 HydrophobicContact CZ-CD1 3.91Å; F197-L267 HydrophobicContact CZ-CG 4.38Å; F197-S268 WeakPolarHBondContact CD1-OG 3.45Å; F197-A271 HydrophobicContact CB-CB 3.94Å; F197-A271 HydrophobicContact CD2-CB 3.59Å; F197-A271 HydrophobicContact CE2-CB 4.43Å; F197-A271 HydrophobicContact CG-CB 4.18Å; F197-I400 HydrophobicContact CE2-CD1 4.21Å; F197-I400 HydrophobicContact CZ-CD1 3.81Å
198	E	92.9	Very high	82.2	Confident	16 Å²	16	20.7 Å²	20.7	8%	0.075	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	109.4	-177.7	-161.3	176	179	0	0	109.7	Y192 I567 K568 L569 R577	Y192-E198 HydrophobicContact CD1-CB 4.06Å; Y192-E198 HydrophobicContact CD1-CG 4.25Å; Y192-E198 HydrophobicContact CE1-CB 3.78Å; Y192-E198 HydrophobicContact CE1-CG 3.67Å; E198-I567 PolarHBondContact N-O 2.95Å; E198-K568 WeakPolarHBondContact OE2-CA 3.45Å; E198-L569 HydrophobicContact CB-CG 4.13Å; E198-L569 HydrophobicContact CG-CB 4.48Å; E198-L569 HydrophobicContact CG-CD1 3.64Å; E198-L569 HydrophobicContact CG-CG 3.73Å; E198-L569 PolarHBondContact OE2-N 3.38Å; E198-L569 VanDerWaalsContact OE2-N 3.09Å; E198-R577 PolarHBondContact O-NE 3.42Å
199	I	90.5	Very high	80.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-46.4	-177.1	-54.4	173.9	0	0	0	109.8	F178 I180 F191 F197 F257 L264 R577 C579	F178-I199 HydrophobicContact CE1-CD1 4.32Å; F178-I199 HydrophobicContact CE2-CD1 4.37Å; F178-I199 HydrophobicContact CZ-CD1 3.59Å; I180-I199 HydrophobicContact CG1-CD1 4.2Å; I180-I199 HydrophobicContact CG2-CD1 4.3Å; F191-I199 HydrophobicContact CB-CB 4.11Å; F191-I199 PolarHBondContact O-N 3.1Å; F197-I199 HydrophobicContact CD1-CG1 4.12Å; F197-I199 PolarHBondContact O-N 3.21Å; I199-F257 HydrophobicContact CD1-CE1 4.14Å; I199-F257 HydrophobicContact CD1-CZ 4.24Å; I199-F257 HydrophobicContact CG2-CE1 4.3Å; I199-F257 HydrophobicContact CG2-CZ 4.01Å; I199-L264 HydrophobicContact CG2-CD1 4.13Å; I199-L264 HydrophobicContact CG2-CD2 4.08Å; I199-R577 WeakPolarHBondContact O-CB 3.35Å; I199-R577 WeakPolarHBondContact O-CG 3.47Å; I199-R577 PolarHBondContact O-N 3.11Å; I199-R577 VanDerWaalsContact O-N 3.14Å; I199-C579 HydrophobicContact CG2-CB 4.03Å; I199-C579 VanDerWaalsContact CG2-SG 3.5Å
200	A	87.8	Confident	78.7	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	147.2	-177.4	0	0	0	0	0	111.2	Y190 F191 I576 L580	Y190-A200 CarbonylContact C-O 3.53Å; Y190-A200 WeakPolarHBondContact CA-O 3.5Å; F191-A200 HydrophobicContact CB-CB 4.42Å; F191-A200 HydrophobicContact CD2-CB 4.07Å; F191-A200 PolarHBondContact N-O 2.9Å; A200-I576 HydrophobicContact CB-CB 4.37Å; A200-I576 HydrophobicContact CB-CG1 4.15Å; A200-I576 HydrophobicContact CB-CG2 4.1Å; A200-L580 HydrophobicContact CB-CD1 4Å
201	A	87.7	Confident	76.9	Confident	15 Å²	15	33 Å²	33	12%	0.124	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	104.4	169	0	0	0	0	0	107.9	T188 V189 Y190 L569 S574 T575	T188-A201 HydrophobicContact CG2-CB 4.37Å; V189-A201 WeakPolarHBondContact O-CA 3.44Å; Y190-A201 HydrophobicContact CD1-CB 3.61Å; Y190-A201 HydrophobicContact CE1-CB 3.69Å; A201-L569 HydrophobicContact CB-CD1 3.64Å; A201-L569 VanDerWaalsContact N-CD1 3.29Å; A201-S574 WeakPolarHBondContact O-CA 3.49Å; A201-T575 PolarHBondContact N-O 3.32Å; A201-T575 VanDerWaalsContact N-O 3.12Å
202	Y	80.2	Confident	75.5	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.2	-175.2	172.9	-129.8	0	0	0	110.9	T188 V189 L204 I252 I582 Q585	T188-Y202 CarbonylContact C-O 3.55Å; T188-Y202 VanDerWaalsContact CA-O 3.31Å; T188-Y202 WeakPolarHBondContact CA-O 3.25Å; V189-Y202 PolarHBondContact N-O 2.82Å; V189-Y202 PolarHBondContact O-N 2.92Å; Y202-L204 HydrophobicContact CD1-CD2 4.35Å; Y202-L204 HydrophobicContact CE1-CD2 3.76Å; Y202-L204 HydrophobicContact CE1-CG 4.3Å; Y202-I252 HydrophobicContact CD1-CD1 4.14Å; Y202-I252 HydrophobicContact CE1-CD1 3.76Å; Y202-I582 HydrophobicContact CD2-CD1 3.19Å; Y202-I582 HydrophobicContact CD2-CG1 3.84Å; Y202-I582 HydrophobicContact CD2-CG2 4.49Å; Y202-I582 HydrophobicContact CE2-CB 4.38Å; Y202-I582 HydrophobicContact CE2-CD1 3.38Å; Y202-I582 HydrophobicContact CE2-CG1 3.8Å; Y202-I582 HydrophobicContact CE2-CG2 3.62Å; Y202-I582 HydrophobicContact CG-CD1 3.99Å; Y202-I582 HydrophobicContact CG-CG1 4.31Å; Y202-I582 WeakPolarHBondContact OH-CG2 3.1Å; Y202-Q585 PolarHBondContact OH-OE1 2.87Å
203	N	80.7	Confident	73.9	Confident	50 Å²	50	37.5 Å²	37.5	27%	0.267	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.1	172	179.6	-30.7	0	0	0	109.6	N187 H205 S206	N187-N203 CarbonylContact O-C 3.59Å; N187-N203 WeakPolarHBondContact O-CA 3.21Å; N203-H205 PolarHBondContact O-N 2.73Å; N203-H205 WeakPolarHBondContact OD1-CB 3.44Å; N203-H205 PolarHBondContact OD1-N 2.77Å; N203-S206 WeakPolarHBondContact CB-OG 3.24Å; N203-S206 PolarHBondContact O-N 2.77Å; N203-S206 PolarHBondContact O-OG 2.87Å; N203-S206 VanDerWaalsContact O-OG 3.08Å; N203-S206 PolarHBondContact OD1-N 2.8Å
204	L	74.5	Confident	72.5	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.4	-177.9	-79.4	162.7	0	0	0	113.3	Y184 N187 V189 Y202 L220 I234	Y184-L204 HydrophobicContact CD2-CD1 4.34Å; Y184-L204 HydrophobicContact CE2-CD1 3.51Å; N187-L204 PolarHBondContact O-N 2.81Å; V189-L204 HydrophobicContact CG2-CD1 3.98Å; V189-L204 HydrophobicContact CG2-CG 4.22Å; Y202-L204 HydrophobicContact CD1-CD2 4.35Å; Y202-L204 HydrophobicContact CE1-CD2 3.76Å; Y202-L204 HydrophobicContact CE1-CG 4.3Å; L204-L220 HydrophobicContact CD1-CD1 4.22Å; L204-I234 HydrophobicContact CD1-CG2 4.07Å; L204-I234 HydrophobicContact CD2-CD1 4.35Å; L204-I234 HydrophobicContact CD2-CG2 4.14Å
205	H	70.4	Confident	71	Confident	68 Å²	68	41.7 Å²	41.7	32%	0.315	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.9	-174.9	-62.9	58.7	0	0	0	113	N187 N203 S218 E236	N187-H205 WeakPolarHBondContact CB-ND1 3.35Å; N187-H205 VanDerWaalsContact CG-CE1 3.45Å; N187-H205 PolarHBondContact ND2-CE1 3Å; N187-H205 PolarHBondContact ND2-ND1 3.02Å; N187-H205 PolarHBondContact ND2-NE2 3.01Å; N203-H205 PolarHBondContact O-N 2.73Å; N203-H205 WeakPolarHBondContact OD1-CB 3.44Å; N203-H205 PolarHBondContact OD1-N 2.77Å; H205-S218 PolarHBondContact CE1-OG 3.3Å; H205-S218 PolarHBondContact NE2-OG 3.21Å; H205-E236 IonicContact CE1-OE2 3.88Å
206	S	59.1	Low	69.3	Low	60 Å²	60	45.1 Å²	45.1	42%	0.42	27%	0.272	S	S	.	.	S	Bend	trans	-99.2	0.7	-168.2	75.8	0	0	0	0	116.3	N203	N203-S206 WeakPolarHBondContact CB-OG 3.24Å; N203-S206 PolarHBondContact O-N 2.77Å; N203-S206 PolarHBondContact O-OG 2.87Å; N203-S206 VanDerWaalsContact O-OG 3.08Å; N203-S206 PolarHBondContact OD1-N 2.8Å
207	A	49.8	Very low	67.9	Low	36 Å²	36	49.1 Å²	49.1	30%	0.298	30%	0.297	S	S	.	.	S	Bend	trans	-147.5	137.5	175.6	0	0	0	0	0	110.2
208	T	45.4	Very low	66.8	Low	84 Å²	84	49.6 Å²	49.6	52%	0.515	30%	0.301	S	S	.	.	S	Bend	trans	69.2	99.2	166	43.6	0	0	0	0	119.1	R587	T208-R587 PolarHBondContact O-NH2 2.93Å
209	L	45	Very low	66	Low	120 Å²	120	54 Å²	54	63%	0.628	32%	0.32	S	S	*	.			trans	66.2	99.2	153.5	-74.3	146.6	0	0	0	117.9	T211 R587	L209-T211 HydrophobicContact CB-CG2 4.44Å; L209-T211 PolarHBondContact O-N 2.86Å; L209-R587 PolarHBondContact O-NH1 3.25Å
210	N	51.1	Low	65.3	Low	135 Å²	135	54.4 Å²	54.4	72%	0.722	32%	0.322	S	S	*	.			trans	-60.7	56.4	163.9	-75.4	-13.8	0	0	0	112.9
211	T	53.9	Low	64.8	Low	64 Å²	64	55.8 Å²	55.8	39%	0.393	33%	0.33	S	S	.	.	S	Bend	trans	-79.6	-26.1	175.7	45	0	0	0	0	112.8	L209	L209-T211 HydrophobicContact CB-CG2 4.44Å; L209-T211 PolarHBondContact O-N 2.86Å
212	L	59.5	Low	64.5	Low	20 Å²	20	55.3 Å²	55.3	11%	0.105	33%	0.326	C	S	.	.	S	Bend	trans	-110.5	8.8	-173.1	-68.3	166.7	0	0	0	114.7	H214 F238 N240 Y246 V248 I589 V785	L212-H214 PolarHBondContact O-N 3.42Å; L212-F238 HydrophobicContact CB-CE2 4.04Å; L212-F238 HydrophobicContact CB-CZ 3.95Å; L212-F238 HydrophobicContact CD1-CZ 3.98Å; L212-N240 WeakPolarHBondContact O-CB 3.28Å; L212-Y246 HydrophobicContact CD2-CD1 4.33Å; L212-Y246 HydrophobicContact CD2-CE1 3.99Å; L212-V248 HydrophobicContact CD1-CG2 4.12Å; L212-I589 HydrophobicContact CD2-CD1 4.38Å; L212-V785 HydrophobicContact CD1-CG2 4.1Å; L212-V785 HydrophobicContact CD2-CG1 4.34Å; L212-V785 HydrophobicContact CD2-CG2 4.33Å; L212-V785 HydrophobicContact CG-CG2 4.14Å
213	N	60.3	Low	64.6	Low	92 Å²	92	55.3 Å²	55.3	49%	0.492	33%	0.326	S	S	.	.			trans	36	73	175	-72.1	-20.8	0	0	0	113.3	N240 V241	N213-N240 CarbonylContact O-C 3.59Å; N213-N240 VanDerWaalsContact O-CA 3.24Å; N213-N240 WeakPolarHBondContact O-CA 3.35Å; N213-V241 HydrophobicContact CB-CB 4.37Å; N213-V241 HydrophobicContact CB-CG2 3.97Å; N213-V241 WeakPolarHBondContact O-CG2 3.29Å; N213-V241 PolarHBondContact O-N 3.43Å
214	H	61.8	Low	64.8	Low	50 Å²	50	53.9 Å²	53.9	23%	0.231	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.4	-177.5	-54.4	-91.2	0	0	0	111.6	L212 E236 F238	L212-H214 PolarHBondContact O-N 3.42Å; H214-E236 IonicContact CE1-OE1 3.95Å; H214-F238 HydrophobicContact CB-CD2 4.42Å; H214-F238 AromaticContact CE1-CD1 3.74Å; H214-F238 AromaticContact CE1-CD2 3.91Å; H214-F238 AromaticContact CE1-CE1 3.32Å; H214-F238 WeakPolarHBondContact CE1-CE1 3.5Å; H214-F238 AromaticContact CE1-CE2 3.5Å; H214-F238 AromaticContact CE1-CZ 3.19Å; H214-F238 WeakPolarHBondContact CE1-CZ 2.99Å; H214-F238 AromaticContact ND1-CD1 3.47Å; H214-F238 WeakPolarHBondContact ND1-CD1 3.48Å; H214-F238 AromaticContact ND1-CD2 3.14Å; H214-F238 WeakPolarHBondContact ND1-CD2 3.49Å; H214-F238 AromaticContact ND1-CE1 3.49Å; H214-F238 WeakPolarHBondContact ND1-CE1 3.48Å; H214-F238 AromaticContact ND1-CE2 3.16Å; H214-F238 WeakPolarHBondContact ND1-CE2 3.43Å; H214-F238 AromaticContact ND1-CG 3.31Å; H214-F238 VanDerWaalsContact ND1-CG 3.31Å; H214-F238 WeakPolarHBondContact ND1-CG 3.19Å; H214-F238 AromaticContact ND1-CZ 3.34Å; H214-F238 VanDerWaalsContact ND1-CZ 3.34Å; H214-F238 WeakPolarHBondContact ND1-CZ 3.31Å
215	T	59.5	Low	65	Low	45 Å²	45	54.3 Å²	54.3	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	144.8	154.8	61.5	0	0	0	0	108.1	T217 L239 N240 V241	T215-T217 PolarHBondContact O-N 2.99Å; T215-L239 WeakPolarHBondContact CB-O 3.42Å; T215-L239 PolarHBondContact N-O 3.13Å; T215-L239 WeakPolarHBondContact OG1-CB 3.47Å; T215-L239 PolarHBondContact OG1-O 2.59Å; T215-N240 VanDerWaalsContact CG2-O 3.29Å; T215-N240 WeakPolarHBondContact CG2-O 3.24Å; T215-V241 HydrophobicContact CG2-CG2 4.28Å
216	G	57.3	Low	65.4	Low	73 Å²	73	51.1 Å²	51.1	75%	0.753	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	11.3	-162.7	0	0	0	0	0	118.1
217	T	64.6	Low	66	Low	94 Å²	94	49.6 Å²	49.6	58%	0.577	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	93	177.5	57.9	0	0	0	0	110.9	T215	T215-T217 PolarHBondContact O-N 2.99Å
218	S	71.7	Confident	66.9	Low	13 Å²	13	50.5 Å²	50.5	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.8	167.6	57.3	0	0	0	0	110.6	N187 H205 S237	N187-S218 PolarHBondContact ND2-OG 2.82Å; N187-S218 PolarHBondContact OD1-OG 3.32Å; H205-S218 PolarHBondContact CE1-OG 3.3Å; H205-S218 PolarHBondContact NE2-OG 3.21Å; S218-S237 CarbonylContact C-O 3.52Å; S218-S237 WeakPolarHBondContact CA-O 3.49Å
219	K	74.3	Confident	68.1	Low	110 Å²	110	46.9 Å²	46.9	48%	0.478	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.5	172.4	-179.9	-177.7	179	-174.5	0	109.3	V221 E236 S237	K219-V221 PolarHBondContact O-N 3.03Å; K219-E236 CarbonylContact O-C 3.59Å; K219-S237 PolarHBondContact N-O 2.76Å; K219-S237 PolarHBondContact O-N 3.24Å; K219-S237 PolarHBondContact O-OG 3.03Å; K219-S237 VanDerWaalsContact O-OG 3.08Å
220	L	77.3	Confident	69.6	Low	8 Å²	8	42.1 Å²	42.1	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.7	172.2	-160.1	73.9	0	0	0	110	Y111 Y184 L204 C223 I234 T235 E236	Y111-L220 HydrophobicContact CD1-CD2 4.23Å; Y111-L220 HydrophobicContact CD2-CD2 4.48Å; Y111-L220 HydrophobicContact CG-CD2 3.91Å; Y184-L220 HydrophobicContact CD1-CB 3.39Å; Y184-L220 HydrophobicContact CD1-CD2 3.86Å; Y184-L220 HydrophobicContact CD1-CG 4.14Å; Y184-L220 HydrophobicContact CD2-CD2 4.17Å; Y184-L220 HydrophobicContact CE1-CB 3.43Å; Y184-L220 VanDerWaalsContact CE1-CB 3.43Å; Y184-L220 HydrophobicContact CE1-CG 4.4Å; Y184-L220 HydrophobicContact CE2-CD1 4.41Å; Y184-L220 HydrophobicContact CG-CB 4.06Å; Y184-L220 HydrophobicContact CG-CD2 3.65Å; Y184-L220 HydrophobicContact CG-CG 4.33Å; L204-L220 HydrophobicContact CD1-CD1 4.22Å; L220-C223 HydrophobicContact CD2-CB 4.19Å; L220-I234 HydrophobicContact CD1-CG2 3.24Å; L220-I234 HydrophobicContact CG-CG2 4.44Å; L220-T235 WeakPolarHBondContact CD1-O 3.15Å; L220-E236 HydrophobicContact CD1-CB 4.35Å
221	V	77.2	Confident	71.1	Confident	28 Å²	28	36.1 Å²	36.1	17%	0.17	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-46	177.8	178.1	0	0	0	0	109.9	K219 T235 V603 L605	K219-V221 PolarHBondContact O-N 3.03Å; V221-T235 HydrophobicContact CB-CG2 4.05Å; V221-T235 HydrophobicContact CG1-CG2 4.42Å; V221-T235 PolarHBondContact N-O 3.06Å; V221-V603 HydrophobicContact CG1-CG1 4.44Å; V221-L605 HydrophobicContact CG1-CB 3.64Å; V221-L605 HydrophobicContact CG1-CD1 4.04Å; V221-L605 HydrophobicContact CG1-CG 4.42Å
222	S	81.5	Confident	72.4	Confident	5 Å²	5	33.1 Å²	33.1	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154.4	-179.2	63.1	0	0	0	0	112.9	T235 L605	S222-T235 PolarHBondContact N-O 2.86Å; S222-T235 PolarHBondContact O-N 2.76Å; S222-T235 VanDerWaalsContact OG-CB 3.24Å; S222-T235 WeakPolarHBondContact OG-CB 3.2Å; S222-T235 PolarHBondContact OG-OG1 3.09Å; S222-L605 VanDerWaalsContact OG-CD2 3.25Å; S222-L605 WeakPolarHBondContact OG-CD2 3.36Å
223	C	81.9	Confident	73.7	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	119	169	-172	0	0	0	0	108.7	Y111 L113 L220 L232 L233	Y111-C223 HydrophobicContact CD1-CB 3.94Å; Y111-C223 HydrophobicContact CE1-CB 3.56Å; Y111-C223 PolarHBondContact OH-O 2.87Å; L113-C223 WeakPolarHBondContact CD2-O 3.36Å; L220-C223 HydrophobicContact CD2-CB 4.19Å; C223-L232 VanDerWaalsContact SG-CD1 3.58Å; C223-L233 CarbonylContact C-O 3.51Å; C223-L233 VanDerWaalsContact CA-O 3.29Å; C223-L233 WeakPolarHBondContact CA-O 3.41Å
224	H	83.8	Confident	74.9	Confident	19 Å²	19	28 Å²	28	9%	0.088	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.7	-174	-178.2	-90.9	0	0	0	111.1	L233 T607 N609	H224-L233 HydrophobicContact CB-CB 4.44Å; H224-L233 PolarHBondContact N-O 3.26Å; H224-L233 PolarHBondContact O-N 3.47Å; H224-T607 HydrophobicContact CB-CG2 4.39Å; H224-T607 WeakPolarHBondContact CB-OG1 3.31Å; H224-T607 PolarHBondContact CD2-OG1 3.22Å; H224-N609 VanDerWaalsContact CE1-CG 3.48Å; H224-N609 PolarHBondContact CE1-ND2 3.31Å; H224-N609 PolarHBondContact CE1-OD1 3.19Å; H224-N609 PolarHBondContact NE2-ND2 3.35Å
225	L	79.2	Confident	76	Confident	14 Å²	14	25.6 Å²	25.6	7%	0.073	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.9	173.7	-172.5	66.7	0	0	0	109.1	T115 Q229 L232 N609	T115-L225 HydrophobicContact CG2-CB 4.3Å; L225-Q229 HydrophobicContact CD1-CB 4.24Å; L225-Q229 HydrophobicContact CD2-CB 4.03Å; L225-Q229 HydrophobicContact CD2-CG 3.76Å; L225-Q229 VanDerWaalsContact CD2-NE2 3.33Å; L225-Q229 HydrophobicContact CG-CB 4.07Å; L225-Q229 HydrophobicContact CG-CG 3.93Å; L225-L232 HydrophobicContact CB-CD1 4.42Å; L225-L232 HydrophobicContact CD1-CB 4.29Å; L225-L232 HydrophobicContact CD1-CD1 4.27Å; L225-N609 PolarHBondContact O-ND2 2.92Å
226	S	79.6	Confident	77.1	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.014	15%	0.145	C	C	.	.			trans	-59.3	155.6	177.1	68.8	0	0	0	0	111.5	E228 Q229 N230 I231 N609	S226-E228 PolarHBondContact O-N 2.92Å; S226-Q229 VanDerWaalsContact O-CA 3.31Å; S226-Q229 WeakPolarHBondContact O-CA 3.36Å; S226-Q229 WeakPolarHBondContact O-CG 3.34Å; S226-Q229 PolarHBondContact O-N 2.86Å; S226-Q229 WeakPolarHBondContact OG-CA 3.33Å; S226-Q229 PolarHBondContact OG-N 3.07Å; S226-N230 PolarHBondContact OG-N 3.01Å; S226-N230 PolarHBondContact OG-OD1 2.82Å; S226-I231 WeakPolarHBondContact CB-O 3.45Å; S226-I231 PolarHBondContact N-O 2.89Å; S226-I231 PolarHBondContact OG-N 3.41Å; S226-I231 VanDerWaalsContact OG-N 3.17Å; S226-I231 PolarHBondContact OG-O 2.87Å; S226-N609 WeakPolarHBondContact CA-OD1 3.42Å
227	A	71.5	Confident	78.2	Confident	27 Å²	27	20.4 Å²	20.4	22%	0.223	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.1	178.2	0	0	0	0	0	113.4	Q229 N609 F611 K633	A227-Q229 VanDerWaalsContact C-N 3.29Å; A227-N609 HydrophobicContact CB-CB 3.89Å; A227-N609 VanDerWaalsContact N-CG 3.26Å; A227-N609 PolarHBondContact N-ND2 3.04Å; A227-N609 PolarHBondContact N-OD1 3.24Å; A227-F611 HydrophobicContact CB-CD1 4.35Å; A227-F611 HydrophobicContact CB-CE1 3.5Å; A227-F611 HydrophobicContact CB-CZ 3.76Å; A227-K633 HydrophobicContact CB-CD 4.11Å
228	E	67.8	Low	78.8	Confident	56 Å²	56	16 Å²	16	26%	0.262	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.9	176	-49	-157.1	146	0	0	112.7	S226 N230 Q258 K633 N659	S226-E228 PolarHBondContact O-N 2.92Å; E228-N230 PolarHBondContact O-N 3.37Å; E228-Q258 PolarHBondContact O-NE2 3.4Å; E228-K633 HydrophobicContact CG-CB 4.39Å; E228-K633 HydrophobicContact CG-CD 3.72Å; E228-K633 HydrophobicContact CG-CG 4.41Å; E228-K633 WeakPolarHBondContact OE1-CD 3.47Å; E228-K633 VanDerWaalsContact OE1-CE 3.29Å; E228-K633 WeakPolarHBondContact OE1-CE 3.33Å; E228-K633 IonicContact OE1-NZ 3.63Å; E228-K633 PolarHBondContact OE1-NZ 3.48Å; E228-N659 PolarHBondContact OE2-ND2 3.43Å; E228-N659 PolarHBondContact OE2-OD1 3.19Å
229	Q	70.7	Confident	79.2	Confident	7 Å²	7	16.9 Å²	16.9	3%	0.033	9%	0.088	C	C	.	.	S	Bend	trans	57.5	26.1	174.1	-51.9	176.9	-71.1	0	0	113.7	N116 Y117 L225 S226 A227 C254	N116-Q229 VanDerWaalsContact C-NE2 3.31Å; N116-Q229 PolarHBondContact O-NE2 2.82Å; Y117-Q229 VanDerWaalsContact CA-CD 3.47Å; Y117-Q229 VanDerWaalsContact CB-NE2 3.27Å; Y117-Q229 VanDerWaalsContact CB-OE1 3.26Å; Y117-Q229 HydrophobicContact CD2-CB 3.96Å; Y117-Q229 HydrophobicContact CD2-CG 4.28Å; Y117-Q229 HydrophobicContact CE2-CB 4.22Å; L225-Q229 HydrophobicContact CD1-CB 4.24Å; L225-Q229 HydrophobicContact CD2-CB 4.03Å; L225-Q229 HydrophobicContact CD2-CG 3.76Å; L225-Q229 VanDerWaalsContact CD2-NE2 3.33Å; L225-Q229 HydrophobicContact CG-CB 4.07Å; L225-Q229 HydrophobicContact CG-CG 3.93Å; S226-Q229 VanDerWaalsContact O-CA 3.31Å; S226-Q229 WeakPolarHBondContact O-CA 3.36Å; S226-Q229 WeakPolarHBondContact O-CG 3.34Å; S226-Q229 PolarHBondContact O-N 2.86Å; S226-Q229 WeakPolarHBondContact OG-CA 3.33Å; S226-Q229 PolarHBondContact OG-N 3.07Å; A227-Q229 VanDerWaalsContact C-N 3.29Å; Q229-C254 WeakPolarHBondContact O-CB 3.41Å
230	N	76.5	Confident	79.3	Confident	20 Å²	20	12.2 Å²	12.2	11%	0.107	7%	0.068	C	C	.	.	S	Bend	trans	-87.9	-16	172.8	63.5	-19.2	0	0	0	112.5	S226 E228 P253 C254 S658 N659	S226-N230 PolarHBondContact OG-N 3.01Å; S226-N230 PolarHBondContact OG-OD1 2.82Å; E228-N230 PolarHBondContact O-N 3.37Å; N230-P253 WeakPolarHBondContact O-CA 3.17Å; N230-C254 PolarHBondContact O-N 3.17Å; N230-S658 PolarHBondContact ND2-O 3.41Å; N230-N659 PolarHBondContact ND2-OD1 2.85Å
231	I	82.2	Confident	79.2	Confident	10 Å²	10	16.6 Å²	16.6	5%	0.051	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.7	-177.4	-66.9	168.1	0	0	0	109.3	S226 L233 K251 I252 S658	S226-I231 WeakPolarHBondContact CB-O 3.45Å; S226-I231 PolarHBondContact N-O 2.89Å; S226-I231 PolarHBondContact OG-N 3.41Å; S226-I231 VanDerWaalsContact OG-N 3.17Å; S226-I231 PolarHBondContact OG-O 2.87Å; I231-L233 HydrophobicContact CG2-CD2 3.72Å; I231-L233 HydrophobicContact CG2-CG 4.1Å; I231-K251 HydrophobicContact CD1-CD 4.43Å; I231-K251 HydrophobicContact CG2-CD 4.48Å; I231-K251 HydrophobicContact CG2-CG 3.78Å; I231-I252 WeakPolarHBondContact CA-O 3.44Å; I231-S658 WeakPolarHBondContact CD1-O 3.23Å
232	L	82.9	Confident	79.1	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.6	166.1	177.9	70.9	0	0	0	109.1	F191 C223 L225 I234 I252 C254 L580	F191-L232 HydrophobicContact CE1-CD1 4.35Å; F191-L232 HydrophobicContact CE1-CD2 4.49Å; F191-L232 HydrophobicContact CE2-CD2 3.75Å; F191-L232 HydrophobicContact CZ-CD1 3.87Å; F191-L232 HydrophobicContact CZ-CD2 3.36Å; F191-L232 HydrophobicContact CZ-CG 4.25Å; C223-L232 VanDerWaalsContact SG-CD1 3.58Å; L225-L232 HydrophobicContact CB-CD1 4.42Å; L225-L232 HydrophobicContact CD1-CB 4.29Å; L225-L232 HydrophobicContact CD1-CD1 4.27Å; L232-I234 HydrophobicContact CD2-CD1 3.71Å; L232-I234 HydrophobicContact CD2-CG1 3.95Å; L232-I234 HydrophobicContact CG-CD1 4.16Å; L232-I234 HydrophobicContact CG-CG1 3.82Å; L232-I252 HydrophobicContact CB-CB 4.31Å; L232-I252 HydrophobicContact CD2-CD1 4.31Å; L232-I252 PolarHBondContact N-O 2.79Å; L232-I252 PolarHBondContact O-N 2.75Å; L232-C254 VanDerWaalsContact CB-SG 3.51Å; L232-L580 HydrophobicContact CD2-CD2 4.32Å
233	L	86.3	Confident	78.7	Confident	4 Å²	4	24 Å²	24	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.7	171.7	-60.4	-177.7	0	0	0	109.1	C223 H224 I231 H250 K251 I635 M637 L656 F665	C223-L233 CarbonylContact C-O 3.51Å; C223-L233 VanDerWaalsContact CA-O 3.29Å; C223-L233 WeakPolarHBondContact CA-O 3.41Å; H224-L233 HydrophobicContact CB-CB 4.44Å; H224-L233 PolarHBondContact N-O 3.26Å; H224-L233 PolarHBondContact O-N 3.47Å; I231-L233 HydrophobicContact CG2-CD2 3.72Å; I231-L233 HydrophobicContact CG2-CG 4.1Å; L233-H250 CarbonylContact C-O 3.57Å; L233-H250 VanDerWaalsContact CA-O 3.28Å; L233-H250 WeakPolarHBondContact CA-O 3.5Å; L233-K251 HydrophobicContact CD2-CB 3.73Å; L233-K251 HydrophobicContact CD2-CG 4.17Å; L233-I635 HydrophobicContact CD1-CD1 3.8Å; L233-I635 HydrophobicContact CD1-CG2 4.21Å; L233-I635 HydrophobicContact CG-CD1 4.35Å; L233-M637 HydrophobicContact CD1-CE 4Å; L233-L656 HydrophobicContact CD1-CD1 3.76Å; L233-F665 HydrophobicContact CD2-CE2 4.14Å
234	I	85.6	Confident	78.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	114.6	176	-51.8	-169.3	0	0	0	108	V189 L204 L220 L232 H250 I252	V189-I234 HydrophobicContact CB-CD1 4.47Å; V189-I234 HydrophobicContact CG1-CD1 4.32Å; V189-I234 HydrophobicContact CG2-CD1 3.84Å; L204-I234 HydrophobicContact CD1-CG2 4.07Å; L204-I234 HydrophobicContact CD2-CD1 4.35Å; L204-I234 HydrophobicContact CD2-CG2 4.14Å; L220-I234 HydrophobicContact CD1-CG2 3.24Å; L220-I234 HydrophobicContact CG-CG2 4.44Å; L232-I234 HydrophobicContact CD2-CD1 3.71Å; L232-I234 HydrophobicContact CD2-CG1 3.95Å; L232-I234 HydrophobicContact CG-CD1 4.16Å; L232-I234 HydrophobicContact CG-CG1 3.82Å; I234-H250 HydrophobicContact CB-CB 4.26Å; I234-H250 PolarHBondContact N-O 3.49Å; I234-H250 WeakPolarHBondContact O-CB 3.43Å; I234-H250 PolarHBondContact O-CD2 3.26Å; I234-H250 VanDerWaalsContact O-CD2 3.23Å; I234-H250 PolarHBondContact O-N 2.8Å; I234-I252 HydrophobicContact CD1-CD1 3.65Å; I234-I252 HydrophobicContact CG1-CD1 4.13Å
235	T	84.6	Confident	77.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.6	177.3	-49.1	0	0	0	0	109.3	L220 V221 S222 V247 V248 C249 L590 L605	L220-T235 WeakPolarHBondContact CD1-O 3.15Å; V221-T235 HydrophobicContact CB-CG2 4.05Å; V221-T235 HydrophobicContact CG1-CG2 4.42Å; V221-T235 PolarHBondContact N-O 3.06Å; S222-T235 PolarHBondContact N-O 2.86Å; S222-T235 PolarHBondContact O-N 2.76Å; S222-T235 VanDerWaalsContact OG-CB 3.24Å; S222-T235 WeakPolarHBondContact OG-CB 3.2Å; S222-T235 PolarHBondContact OG-OG1 3.09Å; T235-V247 HydrophobicContact CG2-CG1 3.54Å; T235-V248 CarbonylContact C-O 3.57Å; T235-V248 VanDerWaalsContact CA-O 3.28Å; T235-V248 WeakPolarHBondContact CA-O 3.16Å; T235-C249 HydrophobicContact CG2-CB 4.48Å; T235-L590 HydrophobicContact CG2-CD1 3.82Å; T235-L605 HydrophobicContact CG2-CD1 3.85Å
236	E	82.9	Confident	77.9	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.4	174	69.1	179.1	173	0	0	111.1	H205 H214 K219 L220 F238 V247 V248 H250	H205-E236 IonicContact CE1-OE2 3.88Å; H214-E236 IonicContact CE1-OE1 3.95Å; K219-E236 CarbonylContact O-C 3.59Å; L220-E236 HydrophobicContact CD1-CB 4.35Å; E236-F238 HydrophobicContact CG-CD1 4.02Å; E236-F238 HydrophobicContact CG-CE1 4.22Å; E236-V247 CarbonylContact O-C 3.57Å; E236-V247 WeakPolarHBondContact O-CA 3.1Å; E236-V248 PolarHBondContact N-O 2.79Å; E236-V248 PolarHBondContact O-N 3.33Å; E236-H250 WeakPolarHBondContact CG-NE2 3.3Å; E236-H250 IonicContact OE1-CD2 2.69Å; E236-H250 IonicContact OE1-CE1 3.74Å; E236-H250 PolarHBondContact OE1-CE1 2.77Å; E236-H250 IonicContact OE1-NE2 3.92Å; E236-H250 PolarHBondContact OE1-NE2 3.01Å
237	S	79.8	Confident	77.9	Confident	5 Å²	5	27.1 Å²	27.1	4%	0.035	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.6	173.3	61.2	0	0	0	0	109.7	S218 K219 Y246	S218-S237 CarbonylContact C-O 3.52Å; S218-S237 WeakPolarHBondContact CA-O 3.49Å; K219-S237 PolarHBondContact N-O 2.76Å; K219-S237 PolarHBondContact O-N 3.24Å; K219-S237 PolarHBondContact O-OG 3.03Å; K219-S237 VanDerWaalsContact O-OG 3.08Å; S237-Y246 CarbonylContact C-O 3.55Å; S237-Y246 WeakPolarHBondContact CA-O 3.38Å
238	F	78.2	Confident	78.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	163.6	-178.3	59.2	-92.2	0	0	0	110.8	L212 H214 E236 Y246 V248	L212-F238 HydrophobicContact CB-CE2 4.04Å; L212-F238 HydrophobicContact CB-CZ 3.95Å; L212-F238 HydrophobicContact CD1-CZ 3.98Å; H214-F238 HydrophobicContact CB-CD2 4.42Å; H214-F238 AromaticContact CE1-CD1 3.74Å; H214-F238 AromaticContact CE1-CD2 3.91Å; H214-F238 AromaticContact CE1-CE1 3.32Å; H214-F238 WeakPolarHBondContact CE1-CE1 3.5Å; H214-F238 AromaticContact CE1-CE2 3.5Å; H214-F238 AromaticContact CE1-CZ 3.19Å; H214-F238 WeakPolarHBondContact CE1-CZ 2.99Å; H214-F238 AromaticContact ND1-CD1 3.47Å; H214-F238 WeakPolarHBondContact ND1-CD1 3.48Å; H214-F238 AromaticContact ND1-CD2 3.14Å; H214-F238 WeakPolarHBondContact ND1-CD2 3.49Å; H214-F238 AromaticContact ND1-CE1 3.49Å; H214-F238 WeakPolarHBondContact ND1-CE1 3.48Å; H214-F238 AromaticContact ND1-CE2 3.16Å; H214-F238 WeakPolarHBondContact ND1-CE2 3.43Å; H214-F238 AromaticContact ND1-CG 3.31Å; H214-F238 VanDerWaalsContact ND1-CG 3.31Å; H214-F238 WeakPolarHBondContact ND1-CG 3.19Å; H214-F238 AromaticContact ND1-CZ 3.34Å; H214-F238 VanDerWaalsContact ND1-CZ 3.34Å; H214-F238 WeakPolarHBondContact ND1-CZ 3.31Å; E236-F238 HydrophobicContact CG-CD1 4.02Å; E236-F238 HydrophobicContact CG-CE1 4.22Å; F238-Y246 HydrophobicContact CE2-CD2 4.13Å; F238-Y246 HydrophobicContact CE2-CG 4.18Å; F238-Y246 HydrophobicContact CZ-CG 4.27Å; F238-Y246 PolarHBondContact N-O 2.87Å; F238-Y246 PolarHBondContact O-N 3.39Å; F238-V248 HydrophobicContact CE1-CB 4.2Å; F238-V248 HydrophobicContact CE1-CG2 3.58Å; F238-V248 HydrophobicContact CZ-CG2 3.83Å
239	L	78.2	Confident	79.2	Confident	33 Å²	33	23.2 Å²	23.2	17%	0.173	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134	166.8	-69.7	161.8	0	0	0	108.7	T215 G243 Q244 F245 L599	T215-L239 WeakPolarHBondContact CB-O 3.42Å; T215-L239 PolarHBondContact N-O 3.13Å; T215-L239 WeakPolarHBondContact OG1-CB 3.47Å; T215-L239 PolarHBondContact OG1-O 2.59Å; L239-G243 WeakPolarHBondContact CD2-O 3.42Å; L239-Q244 WeakPolarHBondContact CA-O 3.31Å; L239-F245 HydrophobicContact CD2-CB 4.11Å; L239-F245 HydrophobicContact CD2-CD2 4.46Å; L239-L599 HydrophobicContact CD1-CD1 3.76Å; L239-L599 HydrophobicContact CD2-CD1 4.12Å; L239-L599 HydrophobicContact CG-CD1 3.46Å; L239-L599 VanDerWaalsContact CG-CD1 3.46Å
240	N	76.6	Confident	79.8	Confident	11 Å²	11	22.9 Å²	22.9	6%	0.059	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	171.8	167.5	77.7	-6.1	0	0	0	110.5	L212 N213 T215 E242 G243 Q244 Y246	L212-N240 WeakPolarHBondContact O-CB 3.28Å; N213-N240 CarbonylContact O-C 3.59Å; N213-N240 VanDerWaalsContact O-CA 3.24Å; N213-N240 WeakPolarHBondContact O-CA 3.35Å; T215-N240 VanDerWaalsContact CG2-O 3.29Å; T215-N240 WeakPolarHBondContact CG2-O 3.24Å; N240-E242 PolarHBondContact O-N 3.47Å; N240-E242 VanDerWaalsContact O-N 3.15Å; N240-E242 WeakPolarHBondContact OD1-CA 3.36Å; N240-E242 WeakPolarHBondContact OD1-CB 3.44Å; N240-E242 PolarHBondContact OD1-N 2.86Å; N240-G243 PolarHBondContact O-N 3.24Å; N240-G243 PolarHBondContact OD1-N 3.17Å; N240-Q244 PolarHBondContact N-O 3.12Å; N240-Q244 PolarHBondContact ND2-OE1 2.83Å; N240-Q244 WeakPolarHBondContact OD1-CA 3.39Å; N240-Q244 WeakPolarHBondContact OD1-CB 3.4Å; N240-Q244 PolarHBondContact OD1-N 3.26Å; N240-Q244 PolarHBondContact OD1-O 3.18Å; N240-Y246 HydrophobicContact CB-CD2 4.15Å; N240-Y246 HydrophobicContact CB-CE2 3.87Å; N240-Y246 WeakPolarHBondContact ND2-CE2 3.33Å
241	V	75.1	Confident	80.2	Confident	101 Å²	101	22.3 Å²	22.3	61%	0.612	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	177.8	173.3	0	0	0	0	112.7	N213 T215 G243	N213-V241 HydrophobicContact CB-CB 4.37Å; N213-V241 HydrophobicContact CB-CG2 3.97Å; N213-V241 WeakPolarHBondContact O-CG2 3.29Å; N213-V241 PolarHBondContact O-N 3.43Å; T215-V241 HydrophobicContact CG2-CG2 4.28Å; V241-G243 VanDerWaalsContact C-N 3.29Å; V241-G243 PolarHBondContact O-N 3.33Å
242	E	75.4	Confident	80.1	Confident	153 Å²	153	21.9 Å²	21.9	72%	0.715	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.2	178.7	-57.9	179.2	175.7	0	0	113.4	N240 Q244	N240-E242 PolarHBondContact O-N 3.47Å; N240-E242 VanDerWaalsContact O-N 3.15Å; N240-E242 WeakPolarHBondContact OD1-CA 3.36Å; N240-E242 WeakPolarHBondContact OD1-CB 3.44Å; N240-E242 PolarHBondContact OD1-N 2.86Å; E242-Q244 VanDerWaalsContact C-N 3.32Å
243	G	73.9	Confident	80.1	Confident	36 Å²	36	22 Å²	22	37%	0.371	12%	0.12	S	C	.	.	S	Bend	trans	81	6.7	-178.6	0	0	0	0	0	114.7	L239 N240 V241	L239-G243 WeakPolarHBondContact CD2-O 3.42Å; N240-G243 PolarHBondContact O-N 3.24Å; N240-G243 PolarHBondContact OD1-N 3.17Å; V241-G243 VanDerWaalsContact C-N 3.29Å; V241-G243 PolarHBondContact O-N 3.33Å
244	Q	73.7	Confident	79.9	Confident	68 Å²	68	21.8 Å²	21.8	32%	0.318	12%	0.119	S	C	.	.			trans	-76.7	138.2	171.9	-62.9	178.8	-17.7	0	0	110.7	L239 N240 E242 Y246	L239-Q244 WeakPolarHBondContact CA-O 3.31Å; N240-Q244 PolarHBondContact N-O 3.12Å; N240-Q244 PolarHBondContact ND2-OE1 2.83Å; N240-Q244 WeakPolarHBondContact OD1-CA 3.39Å; N240-Q244 WeakPolarHBondContact OD1-CB 3.4Å; N240-Q244 PolarHBondContact OD1-N 3.26Å; N240-Q244 PolarHBondContact OD1-O 3.18Å; E242-Q244 VanDerWaalsContact C-N 3.32Å; Q244-Y246 HydrophobicContact CB-CD2 4.47Å; Q244-Y246 HydrophobicContact CB-CE2 3.78Å; Q244-Y246 PolarHBondContact OE1-OH 2.79Å
245	F	75.8	Confident	79.5	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.3	179	179.3	-115.4	0	0	0	111	L239 V247 L591 T592 G593 L598 L599 V603	L239-F245 HydrophobicContact CD2-CB 4.11Å; L239-F245 HydrophobicContact CD2-CD2 4.46Å; F245-V247 HydrophobicContact CD1-CG2 4.45Å; F245-V247 HydrophobicContact CE1-CG2 3.55Å; F245-V247 HydrophobicContact CZ-CG2 3.72Å; F245-L591 HydrophobicContact CD1-CD2 4.26Å; F245-L591 HydrophobicContact CE1-CD2 3.9Å; F245-T592 CarbonylContact O-C 3.58Å; F245-T592 VanDerWaalsContact O-CA 3.27Å; F245-T592 WeakPolarHBondContact O-CA 3.35Å; F245-G593 PolarHBondContact N-O 3.03Å; F245-G593 PolarHBondContact O-N 2.89Å; F245-L598 HydrophobicContact CD1-CB 3.71Å; F245-L598 HydrophobicContact CD1-CD1 4.17Å; F245-L598 HydrophobicContact CE1-CB 3.87Å; F245-L598 HydrophobicContact CG-CB 4.19Å; F245-L598 HydrophobicContact CZ-CB 4.5Å; F245-L599 HydrophobicContact CD2-CB 4.36Å; F245-L599 HydrophobicContact CD2-CD1 3.65Å; F245-L599 HydrophobicContact CD2-CG 4.11Å; F245-L599 HydrophobicContact CE2-CB 4.15Å; F245-L599 HydrophobicContact CE2-CD1 3.7Å; F245-L599 HydrophobicContact CE2-CG 3.72Å; F245-V603 HydrophobicContact CE1-CG2 3.83Å; F245-V603 HydrophobicContact CZ-CG2 3.81Å
246	Y	78	Confident	79.2	Confident	30 Å²	30	24 Å²	24	12%	0.118	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.8	176.1	-72	-92.7	0	0	0	111	L212 S237 F238 N240 Q244 I589 T592	L212-Y246 HydrophobicContact CD2-CD1 4.33Å; L212-Y246 HydrophobicContact CD2-CE1 3.99Å; S237-Y246 CarbonylContact C-O 3.55Å; S237-Y246 WeakPolarHBondContact CA-O 3.38Å; F238-Y246 HydrophobicContact CE2-CD2 4.13Å; F238-Y246 HydrophobicContact CE2-CG 4.18Å; F238-Y246 HydrophobicContact CZ-CG 4.27Å; F238-Y246 PolarHBondContact N-O 2.87Å; F238-Y246 PolarHBondContact O-N 3.39Å; N240-Y246 HydrophobicContact CB-CD2 4.15Å; N240-Y246 HydrophobicContact CB-CE2 3.87Å; N240-Y246 WeakPolarHBondContact ND2-CE2 3.33Å; Q244-Y246 HydrophobicContact CB-CD2 4.47Å; Q244-Y246 HydrophobicContact CB-CE2 3.78Å; Q244-Y246 PolarHBondContact OE1-OH 2.79Å; Y246-I589 HydrophobicContact CD1-CD1 3.8Å; Y246-I589 HydrophobicContact CD1-CG2 4.38Å; Y246-I589 HydrophobicContact CE1-CD1 3.78Å; Y246-T592 HydrophobicContact CD1-CG2 3.67Å; Y246-T592 HydrophobicContact CE1-CG2 3.52Å
247	V	79.7	Confident	78.9	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.4	162.8	-174.5	0	0	0	0	107.5	T235 E236 F245 L590 L591 V603	T235-V247 HydrophobicContact CG2-CG1 3.54Å; E236-V247 CarbonylContact O-C 3.57Å; E236-V247 WeakPolarHBondContact O-CA 3.1Å; F245-V247 HydrophobicContact CD1-CG2 4.45Å; F245-V247 HydrophobicContact CE1-CG2 3.55Å; F245-V247 HydrophobicContact CZ-CG2 3.72Å; V247-L590 HydrophobicContact CB-CB 4.39Å; V247-L590 HydrophobicContact CG1-CB 4.22Å; V247-L590 HydrophobicContact CG1-CD1 4.23Å; V247-L590 PolarHBondContact O-N 3.43Å; V247-L591 HydrophobicContact CB-CB 4Å; V247-L591 HydrophobicContact CG2-CB 3.92Å; V247-L591 HydrophobicContact CG2-CD2 3.98Å; V247-L591 HydrophobicContact CG2-CG 4.43Å; V247-L591 PolarHBondContact N-O 3.38Å; V247-L591 PolarHBondContact O-N 2.86Å; V247-V603 HydrophobicContact CG2-CG1 4.43Å; V247-V603 HydrophobicContact CG2-CG2 3.79Å
248	V	82.1	Confident	78.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.6	-174.4	-176.7	0	0	0	0	109.2	L212 T235 E236 F238 R587 Q588 I589	L212-V248 HydrophobicContact CD1-CG2 4.12Å; T235-V248 CarbonylContact C-O 3.57Å; T235-V248 VanDerWaalsContact CA-O 3.28Å; T235-V248 WeakPolarHBondContact CA-O 3.16Å; E236-V248 PolarHBondContact N-O 2.79Å; E236-V248 PolarHBondContact O-N 3.33Å; F238-V248 HydrophobicContact CE1-CB 4.2Å; F238-V248 HydrophobicContact CE1-CG2 3.58Å; F238-V248 HydrophobicContact CZ-CG2 3.83Å; V248-R587 HydrophobicContact CG1-CB 3.96Å; V248-Q588 WeakPolarHBondContact CA-O 3.48Å; V248-I589 HydrophobicContact CG2-CG1 4.29Å
249	C	84.6	Confident	78.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.2	171.3	-174.2	0	0	0	0	109.7	T235 R587 Q588 L590 F665	T235-C249 HydrophobicContact CG2-CB 4.48Å; C249-R587 WeakPolarHBondContact O-CA 3.34Å; C249-Q588 PolarHBondContact N-O 2.83Å; C249-Q588 PolarHBondContact O-N 3.36Å; C249-L590 HydrophobicContact CB-CD1 3.89Å; C249-L590 HydrophobicContact CB-CD2 4.07Å; C249-L590 HydrophobicContact CB-CG 3.89Å; C249-F665 HydrophobicContact CB-CE2 4.42Å; C249-F665 HydrophobicContact CB-CZ 4.33Å
250	H	83.4	Confident	79	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.1	174.2	-57.7	-83	0	0	0	108.9	L233 I234 E236 Q585 T586 R587	L233-H250 CarbonylContact C-O 3.57Å; L233-H250 VanDerWaalsContact CA-O 3.28Å; L233-H250 WeakPolarHBondContact CA-O 3.5Å; I234-H250 HydrophobicContact CB-CB 4.26Å; I234-H250 PolarHBondContact N-O 3.49Å; I234-H250 WeakPolarHBondContact O-CB 3.43Å; I234-H250 PolarHBondContact O-CD2 3.26Å; I234-H250 VanDerWaalsContact O-CD2 3.23Å; I234-H250 PolarHBondContact O-N 2.8Å; E236-H250 WeakPolarHBondContact CG-NE2 3.3Å; E236-H250 IonicContact OE1-CD2 2.69Å; E236-H250 IonicContact OE1-CE1 3.74Å; E236-H250 PolarHBondContact OE1-CE1 2.77Å; E236-H250 IonicContact OE1-NE2 3.92Å; E236-H250 PolarHBondContact OE1-NE2 3.01Å; H250-Q585 HydrophobicContact CB-CG 4.43Å; H250-Q585 VanDerWaalsContact CG-NE2 3.31Å; H250-Q585 PolarHBondContact ND1-NE2 2.92Å; H250-T586 CarbonylContact C-O 3.58Å; H250-T586 WeakPolarHBondContact CA-O 3.43Å; H250-R587 PolarHBondContact CE1-NE 2.88Å; H250-R587 WeakPolarHBondContact ND1-CD 3.13Å; H250-R587 WeakPolarHBondContact ND1-CG 3.5Å; H250-R587 PolarHBondContact ND1-NE 3.43Å
251	K	84.1	Confident	79.3	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.5	170	165.1	-178.5	171.8	177.4	0	107.8	I231 L233 Q585 T586 E664 F665	I231-K251 HydrophobicContact CD1-CD 4.43Å; I231-K251 HydrophobicContact CG2-CD 4.48Å; I231-K251 HydrophobicContact CG2-CG 3.78Å; L233-K251 HydrophobicContact CD2-CB 3.73Å; L233-K251 HydrophobicContact CD2-CG 4.17Å; K251-Q585 WeakPolarHBondContact O-CA 3.31Å; K251-T586 WeakPolarHBondContact CB-OG1 3.26Å; K251-T586 PolarHBondContact N-O 3.35Å; K251-T586 PolarHBondContact O-N 2.81Å; K251-E664 PolarHBondContact NZ-O 2.88Å; K251-F665 HydrophobicContact CB-CD2 3.92Å; K251-F665 HydrophobicContact CB-CE2 4.16Å; K251-F665 HydrophobicContact CD-CD2 4.17Å
252	I	82.1	Confident	79.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.7	-178.1	-59.3	168.2	0	0	0	108.3	Y202 I231 L232 I234 L580 Q585	Y202-I252 HydrophobicContact CD1-CD1 4.14Å; Y202-I252 HydrophobicContact CE1-CD1 3.76Å; I231-I252 WeakPolarHBondContact CA-O 3.44Å; L232-I252 HydrophobicContact CB-CB 4.31Å; L232-I252 HydrophobicContact CD2-CD1 4.31Å; L232-I252 PolarHBondContact N-O 2.79Å; L232-I252 PolarHBondContact O-N 2.75Å; I234-I252 HydrophobicContact CD1-CD1 3.65Å; I234-I252 HydrophobicContact CG1-CD1 4.13Å; I252-L580 HydrophobicContact CG2-CB 4.41Å; I252-L580 HydrophobicContact CG2-CD2 4.48Å; I252-Q585 HydrophobicContact CG1-CB 4.21Å; I252-Q585 HydrophobicContact CG1-CG 3.76Å
253	P	82.7	Confident	80.2	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.2	172	-22.3	34.6	0	0	0	112.3	N230 D581 C584 K662	N230-P253 WeakPolarHBondContact O-CA 3.17Å; P253-D581 HydrophobicContact CB-CB 4.4Å; P253-D581 PolarHBondContact O-N 3.38Å; P253-C584 HydrophobicContact CG-CB 3.87Å; P253-K662 HydrophobicContact CG-CB 4.36Å
254	C	81.3	Confident	80.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.102	C	C	.	.			trans	-115.6	34.6	-177.5	-67.3	0	0	0	0	111.3	Q229 N230 L232 G256 F257 C579 L580	Q229-C254 WeakPolarHBondContact O-CB 3.41Å; N230-C254 PolarHBondContact O-N 3.17Å; L232-C254 VanDerWaalsContact CB-SG 3.51Å; C254-G256 PolarHBondContact O-N 3.22Å; C254-G256 VanDerWaalsContact O-N 3.09Å; C254-F257 HydrophobicContact CB-CD2 4.02Å; C254-F257 WeakPolarHBondContact O-CB 3.17Å; C254-F257 PolarHBondContact O-N 2.91Å; C254-C579 CarbonylContact C-O 3.51Å; C254-L580 HydrophobicContact CB-CD2 4.38Å; C254-L580 WeakPolarHBondContact SG-CD2 3.48Å
255	D	77.1	Confident	81.5	Confident	39 Å²	39	20.8 Å²	20.8	21%	0.209	10%	0.096	C	C	.	.	H	α-helix	trans	-56.2	-31.7	-175	-61.3	-37.5	0	0	0	112.6	F257 Q258 K259 K662	D255-F257 VanDerWaalsContact C-N 3.29Å; D255-F257 PolarHBondContact O-N 3.07Å; D255-Q258 WeakPolarHBondContact O-CB 3.48Å; D255-Q258 PolarHBondContact O-N 2.92Å; D255-K259 PolarHBondContact O-N 3.47Å; D255-K662 VanDerWaalsContact CG-NZ 3.35Å; D255-K662 IonicContact OD1-NZ 3.67Å; D255-K662 WeakPolarHBondContact OD2-CE 3.46Å; D255-K662 IonicContact OD2-NZ 3.25Å; D255-K662 PolarHBondContact OD2-NZ 3.37Å
256	G	77.5	Confident	82.1	Confident	7 Å²	7	23.9 Å²	23.9	7%	0.072	11%	0.108	C	C	.	.	H	α-helix	trans	-66.2	-28.5	176.9	0	0	0	0	0	113.5	C254 Q258 F260 G578 C579	C254-G256 PolarHBondContact O-N 3.22Å; C254-G256 VanDerWaalsContact O-N 3.09Å; G256-Q258 VanDerWaalsContact C-N 3.33Å; G256-F260 WeakPolarHBondContact O-CA 3.4Å; G256-F260 WeakPolarHBondContact O-CB 3.47Å; G256-F260 WeakPolarHBondContact O-CD2 3.11Å; G256-F260 PolarHBondContact O-N 2.65Å; G256-G578 VanDerWaalsContact CA-O 3.31Å; G256-G578 WeakPolarHBondContact CA-O 3.38Å; G256-C579 PolarHBondContact N-O 3.47Å
257	F	78.3	Confident	82.7	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-37.2	168.8	-84.9	-71.6	0	0	0	111.6	Y117 F178 I180 I199 C254 D255 G261 L264 C579 L580	Y117-F257 HydrophobicContact CD2-CB 4.28Å; Y117-F257 HydrophobicContact CD2-CD1 4.23Å; Y117-F257 HydrophobicContact CE2-CB 3.93Å; Y117-F257 WeakPolarHBondContact CE2-O 3.26Å; Y117-F257 VanDerWaalsContact CZ-O 3.3Å; Y117-F257 PolarHBondContact OH-O 2.78Å; F178-F257 HydrophobicContact CE1-CE1 4.16Å; I180-F257 HydrophobicContact CD1-CD1 4.11Å; I180-F257 HydrophobicContact CD1-CE1 3.41Å; I180-F257 VanDerWaalsContact CD1-CE1 3.41Å; I180-F257 HydrophobicContact CD1-CZ 3.85Å; I199-F257 HydrophobicContact CD1-CE1 4.14Å; I199-F257 HydrophobicContact CD1-CZ 4.24Å; I199-F257 HydrophobicContact CG2-CE1 4.3Å; I199-F257 HydrophobicContact CG2-CZ 4.01Å; C254-F257 HydrophobicContact CB-CD2 4.02Å; C254-F257 WeakPolarHBondContact O-CB 3.17Å; C254-F257 PolarHBondContact O-N 2.91Å; D255-F257 VanDerWaalsContact C-N 3.29Å; D255-F257 PolarHBondContact O-N 3.07Å; F257-G261 WeakPolarHBondContact O-CA 3.21Å; F257-G261 PolarHBondContact O-N 2.87Å; F257-L264 HydrophobicContact CD1-CD1 4.04Å; F257-L264 HydrophobicContact CE1-CD1 4.06Å; F257-C579 HydrophobicContact CD2-CB 3.96Å; F257-C579 HydrophobicContact CE2-CB 3.86Å; F257-C579 HydrophobicContact CG-CB 4.37Å; F257-C579 HydrophobicContact CZ-CB 4.15Å; F257-C579 PolarHBondContact N-O 3.42Å; F257-L580 HydrophobicContact CD2-CD2 4.49Å; F257-L580 HydrophobicContact CE2-CD2 4.19Å
258	Q	75.7	Confident	83.2	Confident	96 Å²	96	22.6 Å²	22.6	45%	0.449	10%	0.103	S	C	.	.	H	α-helix	trans	-70.3	-41.7	176.1	-62.5	-167.2	-32	0	0	112	E228 D255 G256	E228-Q258 PolarHBondContact O-NE2 3.4Å; D255-Q258 WeakPolarHBondContact O-CB 3.48Å; D255-Q258 PolarHBondContact O-N 2.92Å; G256-Q258 VanDerWaalsContact C-N 3.33Å
259	K	80.3	Confident	83.6	Confident	121 Å²	121	23.1 Å²	23.1	53%	0.526	11%	0.106	S	C	.	.	H	α-helix	trans	-72.3	-42.1	-179	-172.1	178.1	170.1	-160.5	0	112.9	D255 E397	D255-K259 PolarHBondContact O-N 3.47Å; K259-E397 IonicContact NZ-OE1 3.91Å; K259-E397 PolarHBondContact NZ-OE1 3.07Å; K259-E397 IonicContact NZ-OE2 3.81Å; K259-E397 PolarHBondContact NZ-OE2 2.72Å
260	F	82	Confident	84	Confident	10 Å²	10	23.1 Å²	23.1	4%	0.044	11%	0.107	C	C	.	.	H	α-helix	trans	-116.1	8.8	-172.5	-55.7	-65.5	0	0	0	114.6	G256 Y262 Q263 L264 E397 L398	G256-F260 WeakPolarHBondContact O-CA 3.4Å; G256-F260 WeakPolarHBondContact O-CB 3.47Å; G256-F260 WeakPolarHBondContact O-CD2 3.11Å; G256-F260 PolarHBondContact O-N 2.65Å; F260-Y262 PolarHBondContact O-N 2.89Å; F260-Y262 VanDerWaalsContact O-N 3.17Å; F260-Q263 VanDerWaalsContact C-OE1 3.24Å; F260-Q263 VanDerWaalsContact CA-OE1 3.25Å; F260-Q263 PolarHBondContact O-N 3.2Å; F260-Q263 PolarHBondContact O-OE1 3.27Å; F260-L264 HydrophobicContact CB-CD1 4.38Å; F260-L264 HydrophobicContact CB-CG 4.33Å; F260-L264 WeakPolarHBondContact O-CB 3.34Å; F260-L264 WeakPolarHBondContact O-CG 3.29Å; F260-L264 PolarHBondContact O-N 2.89Å; F260-E397 HydrophobicContact CE1-CB 4.43Å; F260-E397 HydrophobicContact CE2-CB 3.97Å; F260-E397 HydrophobicContact CE2-CG 4.46Å; F260-E397 WeakPolarHBondContact CE2-OE2 3.37Å; F260-E397 HydrophobicContact CZ-CB 3.75Å; F260-E397 HydrophobicContact CZ-CG 3.99Å; F260-E397 WeakPolarHBondContact CZ-OE2 3.3Å; F260-L398 HydrophobicContact CB-CD2 4.35Å; F260-L398 HydrophobicContact CG-CD2 4.49Å
261	G	82	Confident	84.4	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-36.2	-171.7	0	0	0	0	0	113.5	F257 M265	F257-G261 WeakPolarHBondContact O-CA 3.21Å; F257-G261 PolarHBondContact O-N 2.87Å; G261-M265 WeakPolarHBondContact O-CB 3.4Å; G261-M265 PolarHBondContact O-N 3.11Å
262	Y	82.7	Confident	84.9	Confident	54 Å²	54	22.9 Å²	22.9	21%	0.212	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-46.2	175.3	176.9	-96.5	0	0	0	112.2	L134 F260 M265 R266	L134-Y262 HydrophobicContact CB-CE2 4.23Å; L134-Y262 HydrophobicContact CD1-CE2 4.37Å; L134-Y262 HydrophobicContact CD2-CE1 4.01Å; L134-Y262 HydrophobicContact CD2-CE2 3.94Å; L134-Y262 VanDerWaalsContact CD2-CZ 3.41Å; L134-Y262 WeakPolarHBondContact CD2-OH 3.17Å; L134-Y262 HydrophobicContact CG-CE2 4.4Å; F260-Y262 PolarHBondContact O-N 2.89Å; F260-Y262 VanDerWaalsContact O-N 3.17Å; Y262-M265 HydrophobicContact CD2-CE 3.64Å; Y262-M265 HydrophobicContact CE2-CE 3.78Å; Y262-M265 WeakPolarHBondContact O-CB 3.41Å; Y262-M265 PolarHBondContact O-N 3.24Å; Y262-R266 WeakPolarHBondContact O-CB 3.47Å; Y262-R266 PolarHBondContact O-N 2.91Å
263	Q	87.1	Confident	85.4	Confident	22 Å²	22	23 Å²	23	10%	0.103	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-45.7	178.7	-65.5	83.8	-19.6	0	0	110.6	F260 R266 L267 L394 Y395 L398	F260-Q263 VanDerWaalsContact C-OE1 3.24Å; F260-Q263 VanDerWaalsContact CA-OE1 3.25Å; F260-Q263 PolarHBondContact O-N 3.2Å; F260-Q263 PolarHBondContact O-OE1 3.27Å; Q263-R266 PolarHBondContact O-N 2.98Å; Q263-L267 PolarHBondContact O-N 3.34Å; Q263-L394 HydrophobicContact CG-CB 4.47Å; Q263-Y395 HydrophobicContact CB-CD1 4.19Å; Q263-Y395 HydrophobicContact CB-CE1 3.6Å; Q263-Y395 HydrophobicContact CG-CD1 4.46Å; Q263-Y395 HydrophobicContact CG-CE1 3.92Å; Q263-Y395 HydrophobicContact CG-CE2 4.07Å; Q263-L398 HydrophobicContact CB-CD1 4.37Å
264	L	88.1	Confident	86	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-44.1	174.9	-73.8	174.3	0	0	0	111.6	F178 F197 I199 F257 F260 S268 L398 C579	F178-L264 HydrophobicContact CE1-CB 3.83Å; F178-L264 HydrophobicContact CZ-CB 4.04Å; F197-L264 HydrophobicContact CE1-CD2 4.36Å; I199-L264 HydrophobicContact CG2-CD1 4.13Å; I199-L264 HydrophobicContact CG2-CD2 4.08Å; F257-L264 HydrophobicContact CD1-CD1 4.04Å; F257-L264 HydrophobicContact CE1-CD1 4.06Å; F260-L264 HydrophobicContact CB-CD1 4.38Å; F260-L264 HydrophobicContact CB-CG 4.33Å; F260-L264 WeakPolarHBondContact O-CB 3.34Å; F260-L264 WeakPolarHBondContact O-CG 3.29Å; F260-L264 PolarHBondContact O-N 2.89Å; L264-S268 WeakPolarHBondContact O-CB 3.46Å; L264-S268 PolarHBondContact O-N 3.07Å; L264-S268 PolarHBondContact O-OG 3.5Å; L264-L398 HydrophobicContact CD2-CD1 4.3Å; L264-L398 HydrophobicContact CD2-CD2 3.71Å; L264-L398 HydrophobicContact CG-CD2 4.19Å; L264-C579 HydrophobicContact CD1-CB 3.93Å
265	M	87.8	Confident	86.6	Confident	39 Å²	39	25.5 Å²	25.5	19%	0.192	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-46.9	175.4	178.4	-177	75	0	0	111.1	F178 F194 G261 Y262 S268 S269	F178-M265 HydrophobicContact CB-CB 3.92Å; F178-M265 HydrophobicContact CB-CG 3.7Å; F178-M265 HydrophobicContact CB-SD 3.96Å; F178-M265 HydrophobicContact CD1-CB 3.86Å; F178-M265 HydrophobicContact CD2-CB 4.12Å; F178-M265 HydrophobicContact CD2-CG 4.21Å; F178-M265 HydrophobicContact CE1-CB 4.38Å; F178-M265 HydrophobicContact CG-CB 3.72Å; F178-M265 HydrophobicContact CG-CG 3.94Å; F194-M265 HydrophobicContact CE2-CG 4.42Å; G261-M265 WeakPolarHBondContact O-CB 3.4Å; G261-M265 PolarHBondContact O-N 3.11Å; Y262-M265 HydrophobicContact CD2-CE 3.64Å; Y262-M265 HydrophobicContact CE2-CE 3.78Å; Y262-M265 WeakPolarHBondContact O-CB 3.41Å; Y262-M265 PolarHBondContact O-N 3.24Å; M265-S268 PolarHBondContact O-N 3.13Å; M265-S269 WeakPolarHBondContact O-CB 3.22Å; M265-S269 PolarHBondContact O-N 3.22Å; M265-S269 PolarHBondContact O-OG 3.22Å
266	R	86.9	Confident	87.4	Confident	67 Å²	67	23.7 Å²	23.7	25%	0.253	11%	0.108	S	C	.	.	H	α-helix	trans	-63	-49.2	179.9	-173.9	176.5	-179.6	170.8	-1.8	111.4	Y262 Q263 S268 S269 Q270 E384	Y262-R266 WeakPolarHBondContact O-CB 3.47Å; Y262-R266 PolarHBondContact O-N 2.91Å; Q263-R266 PolarHBondContact O-N 2.98Å; R266-S268 VanDerWaalsContact C-N 3.32Å; R266-S268 PolarHBondContact O-N 2.84Å; R266-S269 PolarHBondContact O-N 3.36Å; R266-S269 PolarHBondContact O-OG 3.15Å; R266-Q270 VanDerWaalsContact O-CG 3.25Å; R266-Q270 WeakPolarHBondContact O-CG 3.24Å; R266-Q270 PolarHBondContact O-N 3.28Å; R266-E384 IonicContact CZ-OE2 3.71Å; R266-E384 IonicContact NH2-OE2 3.64Å; R266-E384 PolarHBondContact NH2-OE2 3.15Å
267	L	90.3	Very high	88.2	Confident	3 Å²	3	23.4 Å²	23.4	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-63.7	-39.5	177.5	-70.5	-179.1	0	0	0	112.2	F197 Q263 Q270 A271 V385 L389 Y395 L398 I400	F197-L267 HydrophobicContact CE1-CB 4.12Å; F197-L267 HydrophobicContact CE2-CB 3.99Å; F197-L267 HydrophobicContact CZ-CB 3.53Å; F197-L267 HydrophobicContact CZ-CD1 3.91Å; F197-L267 HydrophobicContact CZ-CG 4.38Å; Q263-L267 PolarHBondContact O-N 3.34Å; L267-Q270 PolarHBondContact O-N 2.89Å; L267-A271 VanDerWaalsContact O-CB 3.23Å; L267-A271 WeakPolarHBondContact O-CB 3.38Å; L267-A271 PolarHBondContact O-N 3.12Å; L267-V385 HydrophobicContact CD2-CG1 4.01Å; L267-V385 HydrophobicContact CD2-CG2 4.35Å; L267-L389 HydrophobicContact CD1-CD2 4.4Å; L267-Y395 HydrophobicContact CD1-CD1 3.85Å; L267-Y395 HydrophobicContact CD1-CE1 3.95Å; L267-Y395 HydrophobicContact CD2-CE1 4.24Å; L267-Y395 HydrophobicContact CG-CD1 4.27Å; L267-Y395 HydrophobicContact CG-CE1 3.87Å; L267-L398 HydrophobicContact CD1-CD1 3.53Å; L267-I400 HydrophobicContact CD1-CD1 3.95Å
268	S	91.5	Very high	89	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.1	-37.8	179	-57.1	0	0	0	0	112.1	F178 F197 L264 M265 R266 Y272	F178-S268 WeakPolarHBondContact CE2-OG 3.29Å; F197-S268 WeakPolarHBondContact CD1-OG 3.45Å; L264-S268 WeakPolarHBondContact O-CB 3.46Å; L264-S268 PolarHBondContact O-N 3.07Å; L264-S268 PolarHBondContact O-OG 3.5Å; M265-S268 PolarHBondContact O-N 3.13Å; R266-S268 VanDerWaalsContact C-N 3.32Å; R266-S268 PolarHBondContact O-N 2.84Å; S268-Y272 WeakPolarHBondContact O-CB 3.36Å; S268-Y272 PolarHBondContact O-N 3.16Å
269	S	90.4	Very high	89.9	Confident	12 Å²	12	19.7 Å²	19.7	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-69.7	-38.6	176.6	77	0	0	0	0	111.9	M265 R266 S273	M265-S269 WeakPolarHBondContact O-CB 3.22Å; M265-S269 PolarHBondContact O-N 3.22Å; M265-S269 PolarHBondContact O-OG 3.22Å; R266-S269 PolarHBondContact O-N 3.36Å; R266-S269 PolarHBondContact O-OG 3.15Å; S269-S273 WeakPolarHBondContact O-CB 3.25Å; S269-S273 PolarHBondContact O-N 3.43Å; S269-S273 PolarHBondContact O-OG 3.12Å
270	Q	92	Very high	90.4	Very high	1 Å²	1	14 Å²	14	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-65.8	-45.8	173.1	-66.7	-64.8	-12.1	0	0	111.2	N136 R266 L267 Y272 S273 I274 H381 V385	N136-Q270 PolarHBondContact OD1-NE2 2.82Å; R266-Q270 VanDerWaalsContact O-CG 3.25Å; R266-Q270 WeakPolarHBondContact O-CG 3.24Å; R266-Q270 PolarHBondContact O-N 3.28Å; L267-Q270 PolarHBondContact O-N 2.89Å; Q270-Y272 VanDerWaalsContact C-N 3.34Å; Q270-Y272 PolarHBondContact O-N 3.25Å; Q270-S273 WeakPolarHBondContact O-CB 3.46Å; Q270-S273 PolarHBondContact O-N 3.23Å; Q270-S273 VanDerWaalsContact O-N 3.15Å; Q270-I274 WeakPolarHBondContact O-CB 3.34Å; Q270-I274 VanDerWaalsContact O-CG1 3.26Å; Q270-I274 WeakPolarHBondContact O-CG1 3.26Å; Q270-I274 PolarHBondContact O-N 2.93Å; Q270-H381 PolarHBondContact OE1-ND1 2.8Å; Q270-V385 HydrophobicContact CB-CG2 3.51Å; Q270-V385 HydrophobicContact CG-CG2 4.03Å
271	A	93.7	Very high	91	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-59.8	-42.4	176	0	0	0	0	0	112.5	F197 L267 I274 K275 I567	F197-A271 HydrophobicContact CB-CB 3.94Å; F197-A271 HydrophobicContact CD2-CB 3.59Å; F197-A271 HydrophobicContact CE2-CB 4.43Å; F197-A271 HydrophobicContact CG-CB 4.18Å; L267-A271 VanDerWaalsContact O-CB 3.23Å; L267-A271 WeakPolarHBondContact O-CB 3.38Å; L267-A271 PolarHBondContact O-N 3.12Å; A271-I274 PolarHBondContact O-N 3.02Å; A271-K275 WeakPolarHBondContact O-CB 3.25Å; A271-K275 PolarHBondContact O-N 2.83Å; A271-I567 HydrophobicContact CB-CD1 4.17Å; A271-I567 HydrophobicContact CB-CG1 3.98Å
272	Y	93.6	Very high	91.5	Very high	1 Å²	1	15 Å²	15	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-45	173.8	-177.3	-90	0	0	0	110.9	F100 I172 F194 V196 S268 Q270 I274 K275 I276	F100-Y272 AromaticContact CE2-CE2 3.87Å; F100-Y272 HydrophobicContact CE2-CE2 3.87Å; F100-Y272 HydrophobicContact CZ-CE2 4.2Å; I172-Y272 HydrophobicContact CD1-CD1 3.4Å; I172-Y272 VanDerWaalsContact CD1-CD1 3.4Å; I172-Y272 HydrophobicContact CD1-CE1 3.79Å; I172-Y272 HydrophobicContact CG1-CD1 3.77Å; I172-Y272 HydrophobicContact CG1-CE1 3.87Å; F194-Y272 HydrophobicContact CB-CD2 3.75Å; F194-Y272 HydrophobicContact CB-CG 3.96Å; F194-Y272 WeakPolarHBondContact O-CD2 3.43Å; V196-Y272 HydrophobicContact CB-CD2 4.4Å; V196-Y272 HydrophobicContact CG2-CD2 3.64Å; V196-Y272 HydrophobicContact CG2-CE2 4.33Å; S268-Y272 WeakPolarHBondContact O-CB 3.36Å; S268-Y272 PolarHBondContact O-N 3.16Å; Q270-Y272 VanDerWaalsContact C-N 3.34Å; Q270-Y272 PolarHBondContact O-N 3.25Å; Y272-I274 PolarHBondContact O-N 3.41Å; Y272-K275 PolarHBondContact O-N 2.87Å; Y272-I276 HydrophobicContact CD1-CG1 4.14Å; Y272-I276 HydrophobicContact CE1-CD1 4.44Å; Y272-I276 HydrophobicContact CE1-CG1 3.82Å; Y272-I276 WeakPolarHBondContact O-CG1 3.33Å; Y272-I276 PolarHBondContact O-N 2.77Å
273	S	92.8	Very high	91.9	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-42.6	175.9	-58.5	0	0	0	0	112.9	I172 S269 Q270 I276 T277 H381	I172-S273 WeakPolarHBondContact CD1-OG 3.5Å; S269-S273 WeakPolarHBondContact O-CB 3.25Å; S269-S273 PolarHBondContact O-N 3.43Å; S269-S273 PolarHBondContact O-OG 3.12Å; Q270-S273 WeakPolarHBondContact O-CB 3.46Å; Q270-S273 PolarHBondContact O-N 3.23Å; Q270-S273 VanDerWaalsContact O-N 3.15Å; S273-I276 PolarHBondContact O-N 2.86Å; S273-T277 VanDerWaalsContact O-CB 3.29Å; S273-T277 WeakPolarHBondContact O-CB 3.13Å; S273-T277 PolarHBondContact O-N 2.99Å; S273-T277 PolarHBondContact O-OG1 3.35Å; S273-H381 VanDerWaalsContact CB-CE1 3.46Å; S273-H381 WeakPolarHBondContact CB-CE1 3.45Å
274	I	95.3	Very high	92	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.4	-47	174.8	-71.6	163.2	0	0	0	109.8	Q270 A271 Y272 T277 K278 L378 H381 V382 V385 I563 L566	Q270-I274 WeakPolarHBondContact O-CB 3.34Å; Q270-I274 VanDerWaalsContact O-CG1 3.26Å; Q270-I274 WeakPolarHBondContact O-CG1 3.26Å; Q270-I274 PolarHBondContact O-N 2.93Å; A271-I274 PolarHBondContact O-N 3.02Å; Y272-I274 PolarHBondContact O-N 3.41Å; I274-T277 PolarHBondContact O-N 2.84Å; I274-K278 VanDerWaalsContact O-CB 3.25Å; I274-K278 WeakPolarHBondContact O-CB 3.35Å; I274-K278 PolarHBondContact O-N 2.84Å; I274-L378 HydrophobicContact CB-CD2 4.36Å; I274-L378 HydrophobicContact CG2-CD2 3.99Å; I274-H381 HydrophobicContact CD1-CB 4.23Å; I274-H381 HydrophobicContact CG1-CB 3.67Å; I274-V382 HydrophobicContact CD1-CG2 3.76Å; I274-V382 HydrophobicContact CG1-CG2 4.12Å; I274-V385 HydrophobicContact CD1-CG2 4.29Å; I274-I563 HydrophobicContact CG2-CD1 4Å; I274-I563 HydrophobicContact CG2-CG1 3.98Å; I274-I563 HydrophobicContact CG2-CG2 4.25Å; I274-L566 HydrophobicContact CD1-CD2 4.11Å
275	K	94.7	Very high	92.3	Very high	57 Å²	57	13.5 Å²	13.5	25%	0.248	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-47.6	179.5	178.2	58.1	178.5	170.1	0	112	V196 A271 Y272 K278 S279	V196-K275 HydrophobicContact CG1-CB 3.92Å; V196-K275 HydrophobicContact CG1-CG 4.15Å; V196-K275 HydrophobicContact CG2-CG 4.35Å; A271-K275 WeakPolarHBondContact O-CB 3.25Å; A271-K275 PolarHBondContact O-N 2.83Å; Y272-K275 PolarHBondContact O-N 2.87Å; K275-K278 PolarHBondContact O-N 3.17Å; K275-S279 PolarHBondContact O-N 2.81Å; K275-S279 PolarHBondContact O-OG 2.91Å
276	I	93.5	Very high	92.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-44.5	178.9	-62.3	-58.6	0	0	0	111.3	F100 Y165 L168 L169 Y272 S273 K278 S279 L280	F100-I276 HydrophobicContact CD2-CD1 3.63Å; F100-I276 HydrophobicContact CE2-CD1 3.96Å; Y165-I276 HydrophobicContact CD1-CD1 4.14Å; Y165-I276 HydrophobicContact CD1-CG2 3.81Å; Y165-I276 HydrophobicContact CE1-CD1 4.32Å; Y165-I276 HydrophobicContact CG-CG2 4.45Å; L168-I276 HydrophobicContact CB-CD1 4.45Å; L168-I276 HydrophobicContact CD1-CD1 4.06Å; L169-I276 HydrophobicContact CD1-CG2 4.16Å; L169-I276 HydrophobicContact CD2-CB 3.83Å; L169-I276 HydrophobicContact CD2-CG2 3.69Å; L169-I276 HydrophobicContact CG-CB 4.31Å; L169-I276 HydrophobicContact CG-CG2 3.61Å; Y272-I276 HydrophobicContact CD1-CG1 4.14Å; Y272-I276 HydrophobicContact CE1-CD1 4.44Å; Y272-I276 HydrophobicContact CE1-CG1 3.82Å; Y272-I276 WeakPolarHBondContact O-CG1 3.33Å; Y272-I276 PolarHBondContact O-N 2.77Å; S273-I276 PolarHBondContact O-N 2.86Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 2.8Å; I276-S279 WeakPolarHBondContact O-CB 3.4Å; I276-S279 PolarHBondContact O-N 2.82Å; I276-L280 PolarHBondContact O-N 2.8Å; I276-L280 VanDerWaalsContact O-N 3.08Å
277	T	94.2	Very high	92.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.4	-36.7	177.6	-53.3	0	0	0	0	111.2	S273 I274 L280 L281 F374 R377 L378	S273-T277 VanDerWaalsContact O-CB 3.29Å; S273-T277 WeakPolarHBondContact O-CB 3.13Å; S273-T277 PolarHBondContact O-N 2.99Å; S273-T277 PolarHBondContact O-OG1 3.35Å; I274-T277 PolarHBondContact O-N 2.84Å; T277-L280 PolarHBondContact O-N 3.46Å; T277-L281 PolarHBondContact O-N 2.76Å; T277-F374 HydrophobicContact CG2-CB 4.12Å; T277-F374 HydrophobicContact CG2-CD1 4.09Å; T277-R377 HydrophobicContact CG2-CB 4.05Å; T277-R377 HydrophobicContact CG2-CG 4.09Å; T277-L378 HydrophobicContact CG2-CD2 3.94Å; T277-L378 HydrophobicContact CG2-CG 3.71Å
278	K	95.5	Very high	92.5	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	6%	0.061	C	C	.	.	H	α-helix	trans	-64.6	-41.2	173.7	-178.9	58.3	167.4	70.6	0	112.3	I274 K275 I276 L280 L281 D282 I555 M559 N560 I563	I274-K278 VanDerWaalsContact O-CB 3.25Å; I274-K278 WeakPolarHBondContact O-CB 3.35Å; I274-K278 PolarHBondContact O-N 2.84Å; K275-K278 PolarHBondContact O-N 3.17Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 2.8Å; K278-L280 VanDerWaalsContact C-N 3.3Å; K278-L280 PolarHBondContact O-N 3.36Å; K278-L281 HydrophobicContact CD-CD2 4.1Å; K278-L281 WeakPolarHBondContact O-CB 3.37Å; K278-L281 PolarHBondContact O-N 2.87Å; K278-D282 IonicContact NZ-OD1 3.88Å; K278-D282 PolarHBondContact NZ-OD1 2.62Å; K278-D282 IonicContact NZ-OD2 2.79Å; K278-D282 PolarHBondContact NZ-OD2 2.94Å; K278-D282 PolarHBondContact O-N 2.98Å; K278-I555 WeakPolarHBondContact CE-O 3.4Å; K278-I555 PolarHBondContact NZ-O 2.77Å; K278-M559 HydrophobicContact CD-CG 4.31Å; K278-M559 HydrophobicContact CD-SD 3.69Å; K278-M559 VanDerWaalsContact CE-SD 3.57Å; K278-N560 WeakPolarHBondContact CE-OD1 3.42Å; K278-N560 PolarHBondContact NZ-OD1 2.97Å; K278-I563 HydrophobicContact CB-CD1 3.93Å; K278-I563 HydrophobicContact CD-CD1 3.94Å; K278-I563 HydrophobicContact CG-CD1 3.7Å
279	S	93	Very high	92.5	Very high	19 Å²	19	13.1 Å²	13.1	13%	0.133	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-39.8	174.5	-63.9	0	0	0	0	112.1	K275 I276 D282 W283	K275-S279 PolarHBondContact O-N 2.81Å; K275-S279 PolarHBondContact O-OG 2.91Å; I276-S279 WeakPolarHBondContact O-CB 3.4Å; I276-S279 PolarHBondContact O-N 2.82Å; S279-D282 PolarHBondContact O-N 3.31Å; S279-W283 WeakPolarHBondContact O-CB 3.09Å; S279-W283 PolarHBondContact O-N 2.99Å
280	L	91.9	Very high	92.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.3	-40.5	173.7	-75.7	167.1	0	0	0	112.2	V145 V162 Y165 L169 I276 T277 K278 W283 S284 F374	V145-L280 HydrophobicContact CG1-CD1 4.46Å; V162-L280 HydrophobicContact CG1-CD2 4.19Å; Y165-L280 HydrophobicContact CD2-CD2 4.13Å; Y165-L280 HydrophobicContact CG-CD2 4.18Å; Y165-L280 HydrophobicContact CG-CG 4.25Å; L169-L280 HydrophobicContact CD1-CD1 4.03Å; I276-L280 PolarHBondContact O-N 2.8Å; I276-L280 VanDerWaalsContact O-N 3.08Å; T277-L280 PolarHBondContact O-N 3.46Å; K278-L280 VanDerWaalsContact C-N 3.3Å; K278-L280 PolarHBondContact O-N 3.36Å; L280-W283 WeakPolarHBondContact O-CB 3.35Å; L280-W283 PolarHBondContact O-N 2.98Å; L280-S284 PolarHBondContact O-N 2.79Å; L280-S284 PolarHBondContact O-OG 3.22Å; L280-F374 HydrophobicContact CB-CD1 4.09Å; L280-F374 HydrophobicContact CB-CD2 4.22Å; L280-F374 HydrophobicContact CB-CE1 3.81Å; L280-F374 HydrophobicContact CB-CE2 3.93Å; L280-F374 HydrophobicContact CB-CG 4.31Å; L280-F374 HydrophobicContact CB-CZ 3.73Å; L280-F374 HydrophobicContact CD1-CD1 4.43Å; L280-F374 HydrophobicContact CD1-CE1 3.74Å; L280-F374 HydrophobicContact CD1-CZ 4.13Å; L280-F374 HydrophobicContact CD2-CZ 4.26Å; L280-F374 HydrophobicContact CG-CE1 4.29Å; L280-F374 HydrophobicContact CG-CZ 4.27Å
281	L	94.6	Very high	92.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-45.6	174.2	175.2	64.5	0	0	0	112	T277 K278 W283 S284 F285 I371 F374 L375 L378 I555 M559	T277-L281 PolarHBondContact O-N 2.76Å; K278-L281 HydrophobicContact CD-CD2 4.1Å; K278-L281 WeakPolarHBondContact O-CB 3.37Å; K278-L281 PolarHBondContact O-N 2.87Å; L281-W283 VanDerWaalsContact C-N 3.31Å; L281-W283 PolarHBondContact O-N 3.12Å; L281-S284 PolarHBondContact O-N 3.17Å; L281-F285 WeakPolarHBondContact O-CB 3.47Å; L281-F285 PolarHBondContact O-N 2.64Å; L281-I371 HydrophobicContact CD1-CB 4.34Å; L281-I371 HydrophobicContact CD1-CG1 4.4Å; L281-I371 HydrophobicContact CD1-CG2 3.87Å; L281-F374 HydrophobicContact CB-CB 4.14Å; L281-F374 HydrophobicContact CD1-CB 4.4Å; L281-L375 HydrophobicContact CD1-CD2 4.38Å; L281-L375 HydrophobicContact CD1-CG 4.27Å; L281-L375 HydrophobicContact CD2-CD2 3.78Å; L281-L375 HydrophobicContact CD2-CG 4.49Å; L281-L378 HydrophobicContact CD2-CD1 3.84Å; L281-I555 HydrophobicContact CD1-CD1 4.38Å; L281-I555 HydrophobicContact CD2-CG2 4.22Å; L281-I555 HydrophobicContact CG-CG2 4.22Å; L281-M559 HydrophobicContact CD2-CE 4.23Å; L281-M559 HydrophobicContact CD2-SD 3.78Å
282	D	92.9	Very high	91.9	Very high	33 Å²	33	16.4 Å²	16.4	18%	0.176	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-42.1	176.9	-75	-31.9	0	0	0	111.1	K278 S279 F285 N286 I555	K278-D282 IonicContact NZ-OD1 3.88Å; K278-D282 PolarHBondContact NZ-OD1 2.62Å; K278-D282 IonicContact NZ-OD2 2.79Å; K278-D282 PolarHBondContact NZ-OD2 2.94Å; K278-D282 PolarHBondContact O-N 2.98Å; S279-D282 PolarHBondContact O-N 3.31Å; D282-F285 PolarHBondContact O-N 3.25Å; D282-N286 WeakPolarHBondContact O-CB 3.49Å; D282-N286 PolarHBondContact O-N 2.96Å; D282-N286 PolarHBondContact O-ND2 3.42Å; D282-I555 VanDerWaalsContact OD1-CG2 3.3Å; D282-I555 WeakPolarHBondContact OD1-CG2 3.4Å
283	W	89.7	Confident	91.5	Very high	45 Å²	45	20.6 Å²	20.6	17%	0.17	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-50.4	173.6	176.4	89	0	0	0	111.3	F151 F157 V162 S279 L280 L281 F285 N286 Q287 Q370	F151-W283 AromaticContact CD1-CH2 3.96Å; F151-W283 HydrophobicContact CD1-CH2 3.96Å; F151-W283 HydrophobicContact CD1-CZ3 4.33Å; F151-W283 HydrophobicContact CE1-CE3 4.34Å; F151-W283 AromaticContact CE1-CH2 3.43Å; F151-W283 HydrophobicContact CE1-CH2 3.43Å; F151-W283 VanDerWaalsContact CE1-CH2 3.43Å; F151-W283 HydrophobicContact CE1-CZ2 4.42Å; F151-W283 AromaticContact CE1-CZ3 3.37Å; F151-W283 HydrophobicContact CE1-CZ3 3.37Å; F151-W283 HydrophobicContact CZ-CZ3 4.09Å; F157-W283 HydrophobicContact CB-CZ2 3.95Å; F157-W283 AromaticContact CD1-CZ2 3.98Å; F157-W283 HydrophobicContact CD1-CZ2 3.98Å; F157-W283 AromaticContact CD1-NE1 3.72Å; F157-W283 AromaticContact CG-CZ2 3.91Å; F157-W283 HydrophobicContact CG-CZ2 3.91Å; V162-W283 HydrophobicContact CG2-CD2 4.24Å; V162-W283 HydrophobicContact CG2-CE3 4.27Å; V162-W283 HydrophobicContact CG2-CH2 4.17Å; V162-W283 HydrophobicContact CG2-CZ2 4.05Å; V162-W283 HydrophobicContact CG2-CZ3 4.26Å; S279-W283 WeakPolarHBondContact O-CB 3.09Å; S279-W283 PolarHBondContact O-N 2.99Å; L280-W283 WeakPolarHBondContact O-CB 3.35Å; L280-W283 PolarHBondContact O-N 2.98Å; L281-W283 VanDerWaalsContact C-N 3.31Å; L281-W283 PolarHBondContact O-N 3.12Å; W283-F285 VanDerWaalsContact C-N 3.31Å; W283-F285 PolarHBondContact O-N 3.4Å; W283-N286 WeakPolarHBondContact O-CB 3.23Å; W283-N286 PolarHBondContact O-N 2.94Å; W283-Q287 HydrophobicContact CD2-CG 4.22Å; W283-Q287 HydrophobicContact CE3-CG 4.07Å; W283-Q287 HydrophobicContact CH2-CG 3.65Å; W283-Q287 HydrophobicContact CZ2-CG 3.88Å; W283-Q287 HydrophobicContact CZ3-CG 3.76Å; W283-Q287 WeakPolarHBondContact O-CG 3.42Å; W283-Q287 PolarHBondContact O-N 3.41Å; W283-Q370 VanDerWaalsContact CZ3-OE1 3.26Å
284	S	90.7	Very high	91	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-36.3	178.4	-71.1	0	0	0	0	113.1	L280 L281 Q287 V288 Q370 F374	L280-S284 PolarHBondContact O-N 2.79Å; L280-S284 PolarHBondContact O-OG 3.22Å; L281-S284 PolarHBondContact O-N 3.17Å; S284-Q287 VanDerWaalsContact O-CB 3.28Å; S284-Q287 WeakPolarHBondContact O-CB 3.32Å; S284-Q287 PolarHBondContact O-N 2.87Å; S284-V288 PolarHBondContact O-N 3.44Å; S284-Q370 WeakPolarHBondContact OG-CB 3.31Å; S284-Q370 PolarHBondContact OG-OE1 3.07Å; S284-F374 WeakPolarHBondContact OG-CE2 3.19Å
285	F	93.5	Very high	90.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.9	-39.3	175.6	-178.3	-103	0	0	0	111.8	L281 D282 W283 Q287 V288 C289 I496 L551 A552 I555 Q556	L281-F285 WeakPolarHBondContact O-CB 3.47Å; L281-F285 PolarHBondContact O-N 2.64Å; D282-F285 PolarHBondContact O-N 3.25Å; W283-F285 VanDerWaalsContact C-N 3.31Å; W283-F285 PolarHBondContact O-N 3.4Å; F285-Q287 VanDerWaalsContact C-N 3.27Å; F285-Q287 PolarHBondContact O-N 3.03Å; F285-V288 WeakPolarHBondContact O-CB 3.29Å; F285-V288 PolarHBondContact O-N 2.89Å; F285-V288 VanDerWaalsContact O-N 3.15Å; F285-C289 PolarHBondContact O-N 2.88Å; F285-C289 VanDerWaalsContact O-N 3.16Å; F285-C289 PolarHBondContact O-SG 2.99Å; F285-I496 HydrophobicContact CE2-CG2 4.47Å; F285-I496 HydrophobicContact CZ-CB 4.34Å; F285-L551 HydrophobicContact CD2-CD2 4.16Å; F285-L551 HydrophobicContact CD2-CG 4.26Å; F285-L551 HydrophobicContact CE2-CB 4.17Å; F285-L551 HydrophobicContact CE2-CD2 3.82Å; F285-L551 HydrophobicContact CE2-CG 3.77Å; F285-A552 HydrophobicContact CE1-CB 4.08Å; F285-A552 HydrophobicContact CZ-CB 3.76Å; F285-I555 HydrophobicContact CB-CD1 4.24Å; F285-I555 HydrophobicContact CD2-CD1 3.65Å; F285-I555 HydrophobicContact CE2-CD1 4.24Å; F285-I555 HydrophobicContact CG-CD1 4Å; F285-Q556 HydrophobicContact CD1-CG 4.43Å; F285-Q556 HydrophobicContact CE1-CG 4.4Å
286	N	91.3	Very high	89.8	Confident	69 Å²	69	24.7 Å²	24.7	37%	0.369	13%	0.128	S	C	.	.	H	α-helix	trans	-64.4	-32.1	173.7	-67.9	-19.8	0	0	0	111.9	D282 W283 V288 C289 I290	D282-N286 WeakPolarHBondContact O-CB 3.49Å; D282-N286 PolarHBondContact O-N 2.96Å; D282-N286 PolarHBondContact O-ND2 3.42Å; W283-N286 WeakPolarHBondContact O-CB 3.23Å; W283-N286 PolarHBondContact O-N 2.94Å; N286-V288 VanDerWaalsContact C-N 3.32Å; N286-V288 PolarHBondContact O-N 2.96Å; N286-C289 WeakPolarHBondContact O-CB 3.36Å; N286-C289 PolarHBondContact O-N 2.86Å; N286-I290 WeakPolarHBondContact O-CG1 3.41Å; N286-I290 PolarHBondContact O-N 3.32Å
287	Q	87.2	Confident	89.2	Confident	11 Å²	11	30.1 Å²	30.1	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-46.7	170.7	-59.9	-55.8	-63	0	0	111.9	F157 W283 S284 F285 C289 I290 C291 I366	F157-Q287 VanDerWaalsContact CE2-CD 3.4Å; F157-Q287 VanDerWaalsContact CE2-NE2 3.35Å; W283-Q287 HydrophobicContact CD2-CG 4.22Å; W283-Q287 HydrophobicContact CE3-CG 4.07Å; W283-Q287 HydrophobicContact CH2-CG 3.65Å; W283-Q287 HydrophobicContact CZ2-CG 3.88Å; W283-Q287 HydrophobicContact CZ3-CG 3.76Å; W283-Q287 WeakPolarHBondContact O-CG 3.42Å; W283-Q287 PolarHBondContact O-N 3.41Å; S284-Q287 VanDerWaalsContact O-CB 3.28Å; S284-Q287 WeakPolarHBondContact O-CB 3.32Å; S284-Q287 PolarHBondContact O-N 2.87Å; F285-Q287 VanDerWaalsContact C-N 3.27Å; F285-Q287 PolarHBondContact O-N 3.03Å; Q287-C289 VanDerWaalsContact C-N 3.29Å; Q287-C289 PolarHBondContact O-N 3.32Å; Q287-I290 PolarHBondContact O-N 2.76Å; Q287-C291 WeakPolarHBondContact O-CB 3.39Å; Q287-C291 PolarHBondContact O-N 2.89Å; Q287-C291 PolarHBondContact O-SG 3.25Å; Q287-C291 VanDerWaalsContact O-SG 3.35Å; Q287-I366 HydrophobicContact CB-CD1 3.93Å; Q287-I366 HydrophobicContact CB-CG2 4.37Å
288	V	91	Very high	88.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-43.5	178.4	169.6	0	0	0	0	110.6	S284 F285 N286 W292 I363 I366 I371 I496	S284-V288 PolarHBondContact O-N 3.44Å; F285-V288 WeakPolarHBondContact O-CB 3.29Å; F285-V288 PolarHBondContact O-N 2.89Å; F285-V288 VanDerWaalsContact O-N 3.15Å; N286-V288 VanDerWaalsContact C-N 3.32Å; N286-V288 PolarHBondContact O-N 2.96Å; V288-W292 WeakPolarHBondContact O-CB 3.45Å; V288-W292 PolarHBondContact O-N 3.19Å; V288-I363 HydrophobicContact CB-CG2 4.48Å; V288-I363 HydrophobicContact CG1-CG1 4.49Å; V288-I363 HydrophobicContact CG1-CG2 3.68Å; V288-I363 HydrophobicContact CG2-CG2 4.25Å; V288-I366 HydrophobicContact CG2-CB 4.08Å; V288-I366 HydrophobicContact CG2-CG2 3.58Å; V288-I371 HydrophobicContact CG2-CD1 3.92Å; V288-I496 HydrophobicContact CG1-CG2 3.86Å
289	C	91.5	Very high	87.9	Confident	21 Å²	21	33.7 Å²	33.7	14%	0.142	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-50	178.1	-59.5	0	0	0	0	111.3	F285 N286 Q287 W292 E293	F285-C289 PolarHBondContact O-N 2.88Å; F285-C289 VanDerWaalsContact O-N 3.16Å; F285-C289 PolarHBondContact O-SG 2.99Å; N286-C289 WeakPolarHBondContact O-CB 3.36Å; N286-C289 PolarHBondContact O-N 2.86Å; Q287-C289 VanDerWaalsContact C-N 3.29Å; Q287-C289 PolarHBondContact O-N 3.32Å; C289-W292 PolarHBondContact O-N 3.47Å; C289-E293 WeakPolarHBondContact O-CG 3.44Å; C289-E293 PolarHBondContact O-N 2.9Å
290	I	87.5	Confident	87.5	Confident	62 Å²	62	34.4 Å²	34.4	32%	0.318	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-46.2	-179	-67.5	166	0	0	0	111.2	F157 N286 Q287 W292 E293 D294	F157-I290 HydrophobicContact CE1-CD1 4.47Å; F157-I290 HydrophobicContact CZ-CD1 3.7Å; N286-I290 WeakPolarHBondContact O-CG1 3.41Å; N286-I290 PolarHBondContact O-N 3.32Å; Q287-I290 PolarHBondContact O-N 2.76Å; I290-W292 PolarHBondContact O-N 3.02Å; I290-E293 PolarHBondContact O-N 2.82Å; I290-D294 PolarHBondContact O-N 2.89Å
291	C	86.4	Confident	87.1	Confident	17 Å²	17	37.2 Å²	37.2	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-35.4	176.8	-73.6	0	0	0	0	112.8	Q287 M295 I363	Q287-C291 WeakPolarHBondContact O-CB 3.39Å; Q287-C291 PolarHBondContact O-N 2.89Å; Q287-C291 PolarHBondContact O-SG 3.25Å; Q287-C291 VanDerWaalsContact O-SG 3.35Å; C291-M295 WeakPolarHBondContact O-CB 3.3Å; C291-M295 PolarHBondContact O-N 2.88Å; C291-I363 HydrophobicContact CB-CD1 4.31Å; C291-I363 HydrophobicContact CB-CG1 3.82Å
292	W	88.7	Confident	86.8	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-74.7	-41.9	176.2	177.3	88.8	0	0	0	112	V288 C289 I290 M295 I296 I363 D490 V492 E493 I496	V288-W292 WeakPolarHBondContact O-CB 3.45Å; V288-W292 PolarHBondContact O-N 3.19Å; C289-W292 PolarHBondContact O-N 3.47Å; I290-W292 PolarHBondContact O-N 3.02Å; W292-M295 HydrophobicContact CG-CE 4.45Å; W292-M295 WeakPolarHBondContact O-CB 3.43Å; W292-M295 PolarHBondContact O-N 2.96Å; W292-I296 HydrophobicContact CD2-CG2 4.33Å; W292-I296 HydrophobicContact CE3-CG2 4.18Å; W292-I296 HydrophobicContact CH2-CB 4.49Å; W292-I296 HydrophobicContact CH2-CG1 4.44Å; W292-I296 HydrophobicContact CH2-CG2 3.88Å; W292-I296 HydrophobicContact CZ2-CB 4.13Å; W292-I296 HydrophobicContact CZ2-CG1 3.96Å; W292-I296 HydrophobicContact CZ2-CG2 4.02Å; W292-I296 HydrophobicContact CZ3-CG2 3.97Å; W292-I296 WeakPolarHBondContact O-CG2 3.48Å; W292-I296 PolarHBondContact O-N 2.91Å; W292-I363 HydrophobicContact CB-CD1 3.88Å; W292-D490 VanDerWaalsContact NE1-CG 3.32Å; W292-D490 PolarHBondContact NE1-OD1 2.86Å; W292-D490 PolarHBondContact NE1-OD2 2.89Å; W292-V492 HydrophobicContact CG-CG1 4.21Å; W292-E493 HydrophobicContact CH2-CB 3.87Å; W292-E493 HydrophobicContact CH2-CG 3.52Å; W292-E493 HydrophobicContact CZ2-CB 3.47Å; W292-E493 VanDerWaalsContact CZ2-CB 3.47Å; W292-E493 HydrophobicContact CZ2-CG 3.71Å; W292-E493 HydrophobicContact CZ3-CG 4.32Å; W292-I496 HydrophobicContact CB-CD1 3.92Å; W292-I496 HydrophobicContact CD2-CD1 3.54Å; W292-I496 HydrophobicContact CE3-CD1 3.52Å; W292-I496 HydrophobicContact CG-CD1 3.71Å; W292-I496 HydrophobicContact CZ3-CD1 4.26Å
293	E	86.2	Confident	86.6	Confident	90 Å²	90	38.5 Å²	38.5	42%	0.421	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-47.4	177.6	-74.5	178.6	169.4	0	0	111.5	C289 I290 M295 I296 L297	C289-E293 WeakPolarHBondContact O-CG 3.44Å; C289-E293 PolarHBondContact O-N 2.9Å; I290-E293 PolarHBondContact O-N 2.82Å; E293-M295 PolarHBondContact O-N 3Å; E293-I296 PolarHBondContact O-N 3.48Å; E293-L297 WeakPolarHBondContact O-CD1 3.44Å; E293-L297 WeakPolarHBondContact O-CG 3.43Å
294	D	80.9	Confident	86.6	Confident	112 Å²	112	36.6 Å²	36.6	60%	0.599	20%	0.196	S	C	*	.	H	α-helix	trans	-59.9	-31.9	177.1	-74.3	-18.7	0	0	0	112.4	I290	I290-D294 PolarHBondContact O-N 2.89Å
295	M	83.8	Confident	86.5	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.069	22%	0.218	C	C	.	.	H	α-helix	trans	-76.5	-51.2	-179.2	177.3	-166.8	76.7	0	0	112.9	C291 W292 E293 L297 T356 A359 Y360	C291-M295 WeakPolarHBondContact O-CB 3.3Å; C291-M295 PolarHBondContact O-N 2.88Å; W292-M295 HydrophobicContact CG-CE 4.45Å; W292-M295 WeakPolarHBondContact O-CB 3.43Å; W292-M295 PolarHBondContact O-N 2.96Å; E293-M295 PolarHBondContact O-N 3Å; M295-L297 VanDerWaalsContact C-N 3.32Å; M295-L297 PolarHBondContact O-N 3.12Å; M295-T356 HydrophobicContact CG-CG2 3.94Å; M295-T356 HydrophobicContact SD-CG2 3.74Å; M295-A359 HydrophobicContact CB-CB 3.72Å; M295-A359 HydrophobicContact CG-CB 3.82Å; M295-A359 HydrophobicContact SD-CB 3.77Å; M295-Y360 HydrophobicContact CE-CD2 4.16Å; M295-Y360 HydrophobicContact CE-CE2 3.47Å; M295-Y360 VanDerWaalsContact CE-CE2 3.47Å; M295-Y360 HydrophobicContact SD-CD2 3.36Å; M295-Y360 WeakPolarHBondContact SD-CD2 3.17Å; M295-Y360 HydrophobicContact SD-CE2 3.28Å; M295-Y360 WeakPolarHBondContact SD-CE2 3.17Å; M295-Y360 HydrophobicContact SD-CG 4.32Å
296	I	81.8	Confident	86.4	Confident	19 Å²	19	42 Å²	42	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-28.4	-166.1	-165.9	58.9	0	0	0	112.6	W292 E293 E298 M299 D300 V489 D490	W292-I296 HydrophobicContact CD2-CG2 4.33Å; W292-I296 HydrophobicContact CE3-CG2 4.18Å; W292-I296 HydrophobicContact CH2-CB 4.49Å; W292-I296 HydrophobicContact CH2-CG1 4.44Å; W292-I296 HydrophobicContact CH2-CG2 3.88Å; W292-I296 HydrophobicContact CZ2-CB 4.13Å; W292-I296 HydrophobicContact CZ2-CG1 3.96Å; W292-I296 HydrophobicContact CZ2-CG2 4.02Å; W292-I296 HydrophobicContact CZ3-CG2 3.97Å; W292-I296 WeakPolarHBondContact O-CG2 3.48Å; W292-I296 PolarHBondContact O-N 2.91Å; E293-I296 PolarHBondContact O-N 3.48Å; I296-E298 VanDerWaalsContact C-N 3.28Å; I296-E298 PolarHBondContact O-N 3.29Å; I296-E298 VanDerWaalsContact O-N 3.17Å; I296-M299 PolarHBondContact O-N 3.49Å; I296-D300 HydrophobicContact CG1-CB 4.45Å; I296-D300 WeakPolarHBondContact O-CB 3.45Å; I296-D300 PolarHBondContact O-N 3.19Å; I296-V489 HydrophobicContact CD1-CB 4.06Å; I296-V489 HydrophobicContact CD1-CG2 4.47Å; I296-D490 VanDerWaalsContact CD1-OD2 3.27Å; I296-D490 WeakPolarHBondContact CD1-OD2 3.32Å
297	L	80.8	Confident	86.4	Confident	114 Å²	114	38.7 Å²	38.7	60%	0.597	20%	0.202	S	C	*	.	H	α-helix	trans	-53.5	-39.6	-173.8	-76.7	167.2	0	0	0	113.4	E293 M295 A301	E293-L297 WeakPolarHBondContact O-CD1 3.44Å; E293-L297 WeakPolarHBondContact O-CG 3.43Å; M295-L297 VanDerWaalsContact C-N 3.32Å; M295-L297 PolarHBondContact O-N 3.12Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 3.25Å; L297-A301 VanDerWaalsContact O-N 3.15Å
298	E	79.3	Confident	86.5	Confident	74 Å²	74	44.1 Å²	44.1	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-74.2	-45.2	-177.7	-167.9	177.6	-169.5	0	0	112.4	I296 K302 T352	I296-E298 VanDerWaalsContact C-N 3.28Å; I296-E298 PolarHBondContact O-N 3.29Å; I296-E298 VanDerWaalsContact O-N 3.17Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.25Å; E298-K302 PolarHBondContact O-N 3.3Å; E298-T352 HydrophobicContact CB-CG2 4.15Å; E298-T352 HydrophobicContact CG-CG2 4.03Å; E298-T352 PolarHBondContact OE1-OG1 3.03Å; E298-T352 WeakPolarHBondContact OE2-CA 3.31Å; E298-T352 VanDerWaalsContact OE2-CB 3.29Å; E298-T352 WeakPolarHBondContact OE2-CB 3.37Å; E298-T352 VanDerWaalsContact OE2-CG2 3.28Å; E298-T352 WeakPolarHBondContact OE2-CG2 3.24Å; E298-T352 PolarHBondContact OE2-OG1 3.34Å
299	M	82.6	Confident	86.5	Confident	4 Å²	4	48 Å²	48	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-47.8	-179.1	-73.5	-177.3	76.9	0	0	111.5	I296 K302 F303 W344 T352 T356 L433 F437 V489	I296-M299 PolarHBondContact O-N 3.49Å; M299-K302 PolarHBondContact O-N 2.92Å; M299-F303 HydrophobicContact CE-CE2 4.12Å; M299-F303 VanDerWaalsContact O-CD2 3.23Å; M299-F303 WeakPolarHBondContact O-CD2 3.42Å; M299-F303 PolarHBondContact O-N 3.05Å; M299-F303 VanDerWaalsContact O-N 3.09Å; M299-W344 HydrophobicContact CG-CZ2 4.5Å; M299-T352 HydrophobicContact CG-CG2 3.82Å; M299-T356 HydrophobicContact SD-CG2 4.01Å; M299-L433 HydrophobicContact CE-CD2 4.02Å; M299-F437 HydrophobicContact CE-CE1 4.33Å; M299-F437 HydrophobicContact CE-CZ 3.79Å; M299-F437 HydrophobicContact SD-CE2 4.5Å; M299-F437 HydrophobicContact SD-CZ 3.69Å; M299-V489 HydrophobicContact CE-CG1 3.52Å; M299-V489 HydrophobicContact SD-CG1 4.39Å
300	D	84.3	Confident	86.5	Confident	34 Å²	34	48.5 Å²	48.5	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-47.7	178.9	179.3	28.3	0	0	0	110.7	I296 K302 F303 T304 N486 Y487	I296-D300 HydrophobicContact CG1-CB 4.45Å; I296-D300 WeakPolarHBondContact O-CB 3.45Å; I296-D300 PolarHBondContact O-N 3.19Å; D300-K302 VanDerWaalsContact C-N 3.31Å; D300-K302 PolarHBondContact O-N 3.13Å; D300-F303 PolarHBondContact O-N 3.29Å; D300-T304 WeakPolarHBondContact O-CB 3.34Å; D300-T304 PolarHBondContact O-N 2.91Å; D300-T304 PolarHBondContact O-OG1 3.38Å; D300-T304 PolarHBondContact OD1-OG1 2.91Å; D300-N486 VanDerWaalsContact OD1-CB 3.32Å; D300-N486 WeakPolarHBondContact OD1-CB 3.28Å; D300-N486 WeakPolarHBondContact OD2-CB 3.41Å; D300-Y487 PolarHBondContact OD1-N 3.39Å; D300-Y487 VanDerWaalsContact OD1-N 3.08Å
301	A	85.4	Confident	86.6	Confident	58 Å²	58	47.1 Å²	47.1	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-40.9	179.7	0	0	0	0	0	112.8	L297 K305	L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 3.25Å; L297-A301 VanDerWaalsContact O-N 3.15Å; A301-K305 WeakPolarHBondContact O-CB 3.48Å; A301-K305 PolarHBondContact O-N 2.82Å
302	K	88.1	Confident	86.6	Confident	57 Å²	57	54.6 Å²	54.6	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-69.1	-49.7	-179.8	-71	-71.1	-178.2	177	0	112.1	E298 M299 D300 Y306 F339 D343 W344	E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.25Å; E298-K302 PolarHBondContact O-N 3.3Å; M299-K302 PolarHBondContact O-N 2.92Å; D300-K302 VanDerWaalsContact C-N 3.31Å; D300-K302 PolarHBondContact O-N 3.13Å; K302-Y306 PolarHBondContact O-N 2.87Å; K302-Y306 VanDerWaalsContact O-N 3.13Å; K302-F339 HydrophobicContact CB-CE2 4.48Å; K302-F339 HydrophobicContact CB-CZ 4.29Å; K302-D343 PolarHBondContact NZ-O 2.96Å; K302-W344 HydrophobicContact CB-CD2 4.35Å; K302-W344 HydrophobicContact CB-CE3 4.31Å; K302-W344 HydrophobicContact CD-CG 4.42Å; K302-W344 HydrophobicContact CG-CD2 4.35Å; K302-W344 HydrophobicContact CG-CG 4.45Å
303	F	88.7	Confident	86.5	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-43.2	179.2	-73.3	-55.6	0	0	0	112.2	M299 D300 Y306 A307 L319 W344 F436 L475 Y487 V489	M299-F303 HydrophobicContact CE-CE2 4.12Å; M299-F303 VanDerWaalsContact O-CD2 3.23Å; M299-F303 WeakPolarHBondContact O-CD2 3.42Å; M299-F303 PolarHBondContact O-N 3.05Å; M299-F303 VanDerWaalsContact O-N 3.09Å; D300-F303 PolarHBondContact O-N 3.29Å; F303-Y306 PolarHBondContact O-N 2.99Å; F303-A307 VanDerWaalsContact O-CB 3.23Å; F303-A307 WeakPolarHBondContact O-CB 3.17Å; F303-A307 PolarHBondContact O-N 2.78Å; F303-L319 HydrophobicContact CB-CD2 4.26Å; F303-L319 HydrophobicContact CD1-CD2 3.59Å; F303-L319 HydrophobicContact CE1-CD2 4.24Å; F303-L319 HydrophobicContact CG-CD2 4.18Å; F303-W344 HydrophobicContact CD1-CZ3 4.36Å; F303-W344 HydrophobicContact CE1-CH2 4.49Å; F303-W344 AromaticContact CE1-CZ3 3.73Å; F303-W344 HydrophobicContact CE1-CZ3 3.73Å; F303-W344 AromaticContact CE2-CH2 3.9Å; F303-W344 HydrophobicContact CE2-CH2 3.9Å; F303-W344 AromaticContact CE2-CZ3 3.95Å; F303-W344 HydrophobicContact CE2-CZ3 3.95Å; F303-W344 AromaticContact CZ-CH2 3.82Å; F303-W344 HydrophobicContact CZ-CH2 3.82Å; F303-W344 AromaticContact CZ-CZ3 3.49Å; F303-W344 HydrophobicContact CZ-CZ3 3.49Å; F303-W344 VanDerWaalsContact CZ-CZ3 3.49Å; F303-F436 HydrophobicContact CZ-CE1 4.14Å; F303-F436 AromaticContact CZ-CZ 3.81Å; F303-F436 HydrophobicContact CZ-CZ 3.81Å; F303-L475 HydrophobicContact CD2-CD1 4.05Å; F303-L475 HydrophobicContact CE2-CD1 4.14Å; F303-L475 HydrophobicContact CG-CD1 4.37Å; F303-Y487 HydrophobicContact CB-CD2 4.31Å; F303-Y487 HydrophobicContact CB-CG 4.25Å; F303-V489 HydrophobicContact CD2-CG2 4.3Å
304	T	88.8	Confident	86.7	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-41.3	179.3	-65.8	0	0	0	0	111.5	D300 R308 N486 Y487	D300-T304 WeakPolarHBondContact O-CB 3.34Å; D300-T304 PolarHBondContact O-N 2.91Å; D300-T304 PolarHBondContact O-OG1 3.38Å; D300-T304 PolarHBondContact OD1-OG1 2.91Å; T304-R308 HydrophobicContact CG2-CG 4.46Å; T304-R308 WeakPolarHBondContact O-CB 3.37Å; T304-R308 VanDerWaalsContact O-CG 3.27Å; T304-R308 WeakPolarHBondContact O-CG 3.49Å; T304-R308 PolarHBondContact O-N 3.09Å; T304-N486 WeakPolarHBondContact OG1-CA 3.32Å; T304-Y487 PolarHBondContact OG1-N 3.28Å; T304-Y487 VanDerWaalsContact OG1-N 3.11Å
305	K	89.3	Confident	86.9	Confident	104 Å²	104	64.9 Å²	64.9	45%	0.452	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-52.9	174	-176.5	-169.5	173.5	-158.6	0	111.2	A301 A307 R308 E309 D343	A301-K305 WeakPolarHBondContact O-CB 3.48Å; A301-K305 PolarHBondContact O-N 2.82Å; K305-A307 VanDerWaalsContact C-N 3.34Å; K305-A307 PolarHBondContact O-N 3.23Å; K305-R308 PolarHBondContact O-N 2.8Å; K305-E309 VanDerWaalsContact CE-OE1 3.29Å; K305-E309 WeakPolarHBondContact CE-OE1 3.47Å; K305-E309 PolarHBondContact O-N 2.9Å; K305-E309 VanDerWaalsContact O-N 3.17Å; K305-D343 IonicContact NZ-OD1 2.65Å
306	Y	91.4	Very high	87	Confident	8 Å²	8	71.5 Å²	71.5	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-45.9	-178.9	177.3	-113.9	0	0	0	111.9	K302 F303 R308 E309 R310 W317 L319 E322 L336 F339	K302-Y306 PolarHBondContact O-N 2.87Å; K302-Y306 VanDerWaalsContact O-N 3.13Å; F303-Y306 PolarHBondContact O-N 2.99Å; Y306-R308 PolarHBondContact O-N 3.14Å; Y306-E309 PolarHBondContact O-N 3.16Å; Y306-R310 HydrophobicContact CD1-CG 4.48Å; Y306-R310 HydrophobicContact CD2-CG 4.35Å; Y306-R310 HydrophobicContact CE1-CG 4.06Å; Y306-R310 HydrophobicContact CE2-CG 3.9Å; Y306-R310 WeakPolarHBondContact O-CG 3.41Å; Y306-R310 PolarHBondContact O-N 3.22Å; Y306-W317 HydrophobicContact CD1-CH2 4.05Å; Y306-W317 HydrophobicContact CD1-CZ2 4.24Å; Y306-W317 AromaticContact CE1-CH2 3.9Å; Y306-W317 HydrophobicContact CE1-CH2 3.9Å; Y306-W317 AromaticContact CE1-CZ2 3.61Å; Y306-W317 HydrophobicContact CE1-CZ2 3.61Å; Y306-L319 HydrophobicContact CD1-CD1 3.93Å; Y306-L319 HydrophobicContact CE1-CD1 3.82Å; Y306-E322 WeakPolarHBondContact CE1-OE2 3.27Å; Y306-E322 PolarHBondContact OH-OE2 2.8Å; Y306-L336 HydrophobicContact CE1-CD1 4.11Å; Y306-L336 WeakPolarHBondContact OH-CA 3.41Å; Y306-L336 WeakPolarHBondContact OH-CB 3.25Å; Y306-L336 PolarHBondContact OH-N 2.87Å; Y306-F339 HydrophobicContact CD1-CD1 4.29Å; Y306-F339 HydrophobicContact CD1-CE1 4.46Å; Y306-F339 HydrophobicContact CD1-CG 4.48Å; Y306-F339 HydrophobicContact CD2-CB 3.53Å; Y306-F339 HydrophobicContact CD2-CD1 4.11Å; Y306-F339 AromaticContact CD2-CD2 3.74Å; Y306-F339 HydrophobicContact CD2-CD2 3.74Å; Y306-F339 HydrophobicContact CD2-CE2 4.48Å; Y306-F339 AromaticContact CD2-CG 3.51Å; Y306-F339 HydrophobicContact CD2-CG 3.51Å; Y306-F339 HydrophobicContact CE2-CB 3.58Å; Y306-F339 HydrophobicContact CE2-CD1 4.43Å; Y306-F339 AromaticContact CE2-CG 3.98Å; Y306-F339 HydrophobicContact CE2-CG 3.98Å; Y306-F339 HydrophobicContact CG-CB 4.32Å; Y306-F339 HydrophobicContact CG-CD1 4.04Å; Y306-F339 AromaticContact CG-CD2 3.89Å; Y306-F339 HydrophobicContact CG-CD2 3.89Å; Y306-F339 HydrophobicContact CG-CE1 4.32Å; Y306-F339 HydrophobicContact CG-CE2 4.18Å; Y306-F339 AromaticContact CG-CG 3.81Å; Y306-F339 HydrophobicContact CG-CG 3.81Å; Y306-F339 HydrophobicContact CG-CZ 4.38Å
307	A	90.9	Very high	87.4	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-39.3	179.9	0	0	0	0	0	113.4	F303 K305 E309 R310 L311 W317 L484 Y487	F303-A307 VanDerWaalsContact O-CB 3.23Å; F303-A307 WeakPolarHBondContact O-CB 3.17Å; F303-A307 PolarHBondContact O-N 2.78Å; K305-A307 VanDerWaalsContact C-N 3.34Å; K305-A307 PolarHBondContact O-N 3.23Å; A307-E309 VanDerWaalsContact C-N 3.27Å; A307-E309 PolarHBondContact O-N 2.82Å; A307-R310 PolarHBondContact O-N 2.81Å; A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 VanDerWaalsContact O-CG 3.28Å; A307-L311 WeakPolarHBondContact O-CG 3.15Å; A307-L311 PolarHBondContact O-N 3.43Å; A307-W317 HydrophobicContact CB-CH2 4Å; A307-W317 HydrophobicContact CB-CZ3 3.64Å; A307-L484 HydrophobicContact CB-CD2 3.54Å; A307-Y487 HydrophobicContact CB-CD2 4.25Å; A307-Y487 HydrophobicContact CB-CE2 3.24Å
308	R	89.9	Confident	87.8	Confident	125 Å²	125	68.4 Å²	68.4	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-36.7	174.2	-75.8	179.7	-173.8	159.1	5.3	111.9	T304 K305 Y306 K312 L484 Q485	T304-R308 HydrophobicContact CG2-CG 4.46Å; T304-R308 WeakPolarHBondContact O-CB 3.37Å; T304-R308 VanDerWaalsContact O-CG 3.27Å; T304-R308 WeakPolarHBondContact O-CG 3.49Å; T304-R308 PolarHBondContact O-N 3.09Å; K305-R308 PolarHBondContact O-N 2.8Å; Y306-R308 PolarHBondContact O-N 3.14Å; R308-K312 WeakPolarHBondContact O-CG 3.34Å; R308-K312 PolarHBondContact O-N 3.03Å; R308-L484 HydrophobicContact CG-CD2 4.06Å; R308-L484 PolarHBondContact NE-O 3.2Å; R308-L484 VanDerWaalsContact NE-O 3.16Å; R308-L484 PolarHBondContact NH2-O 2.96Å; R308-Q485 PolarHBondContact NH2-O 2.9Å
309	E	89.7	Confident	88.4	Confident	82 Å²	82	64.9 Å²	64.9	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-68	-43.1	175.4	-70.3	176.8	-172.5	0	0	111.5	K305 Y306 A307 K312 H313	K305-E309 VanDerWaalsContact CE-OE1 3.29Å; K305-E309 WeakPolarHBondContact CE-OE1 3.47Å; K305-E309 PolarHBondContact O-N 2.9Å; K305-E309 VanDerWaalsContact O-N 3.17Å; Y306-E309 PolarHBondContact O-N 3.16Å; A307-E309 VanDerWaalsContact C-N 3.27Å; A307-E309 PolarHBondContact O-N 2.82Å; E309-K312 PolarHBondContact O-N 3.21Å; E309-H313 PolarHBondContact O-CD2 3.23Å; E309-H313 VanDerWaalsContact O-CD2 3.25Å
310	R	91.5	Very high	88.8	Confident	32 Å²	32	65.8 Å²	65.8	12%	0.121	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-42.4	178.4	-65.3	-68.3	-71.4	159.9	-13.6	113.1	Y306 A307 K312 H313 N314 W317 E322 E335	Y306-R310 HydrophobicContact CD1-CG 4.48Å; Y306-R310 HydrophobicContact CD2-CG 4.35Å; Y306-R310 HydrophobicContact CE1-CG 4.06Å; Y306-R310 HydrophobicContact CE2-CG 3.9Å; Y306-R310 WeakPolarHBondContact O-CG 3.41Å; Y306-R310 PolarHBondContact O-N 3.22Å; A307-R310 PolarHBondContact O-N 2.81Å; R310-K312 PolarHBondContact O-N 3.02Å; R310-H313 PolarHBondContact O-N 2.77Å; R310-N314 PolarHBondContact O-N 3.48Å; R310-W317 HydrophobicContact CB-CD2 3.48Å; R310-W317 VanDerWaalsContact CB-CD2 3.48Å; R310-W317 HydrophobicContact CB-CE3 3.59Å; R310-W317 HydrophobicContact CB-CG 4.06Å; R310-W317 HydrophobicContact CB-CH2 3.9Å; R310-W317 HydrophobicContact CB-CZ2 3.85Å; R310-W317 HydrophobicContact CB-CZ3 3.81Å; R310-W317 HydrophobicContact CG-CD2 4.2Å; R310-W317 HydrophobicContact CG-CE3 4.5Å; R310-W317 HydrophobicContact CG-CH2 3.99Å; R310-W317 HydrophobicContact CG-CZ2 3.69Å; R310-W317 HydrophobicContact CG-CZ3 4.41Å; R310-E322 IonicContact CZ-OE1 2.67Å; R310-E322 IonicContact NE-OE1 3.51Å; R310-E322 PolarHBondContact NE-OE1 3.07Å; R310-E322 IonicContact NH2-OE1 2.63Å; R310-E322 PolarHBondContact NH2-OE1 3.32Å; R310-E335 IonicContact CZ-OE1 3.87Å; R310-E335 IonicContact NH1-OE1 2.61Å; R310-E335 PolarHBondContact NH1-OE1 3.16Å; R310-E335 IonicContact NH1-OE2 3.25Å
311	L	89.3	Confident	89.2	Confident	32 Å²	32	67.8 Å²	67.8	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-25.7	178.7	-74.3	170	0	0	0	113.2	A307 H313 N314 W317 F479 L484	A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 VanDerWaalsContact O-CG 3.28Å; A307-L311 WeakPolarHBondContact O-CG 3.15Å; A307-L311 PolarHBondContact O-N 3.43Å; L311-H313 VanDerWaalsContact C-N 3.31Å; L311-N314 WeakPolarHBondContact CA-O 3Å; L311-W317 HydrophobicContact CD2-CE3 4.31Å; L311-W317 HydrophobicContact CG-CE3 4.19Å; L311-F479 HydrophobicContact CD1-CE1 4.12Å; L311-F479 HydrophobicContact CD1-CZ 4.1Å; L311-L484 HydrophobicContact CD1-CB 4.03Å; L311-L484 HydrophobicContact CD1-CD2 3.89Å; L311-L484 HydrophobicContact CD1-CG 4.47Å
312	K	87.9	Confident	89.5	Confident	174 Å²	174	65.7 Å²	65.7	76%	0.757	31%	0.311	S	S	*	.	H	α-helix	trans	-65.3	-34.4	171.7	-75.9	172.4	-177.3	-178	0	112.4	R308 E309 R310	R308-K312 WeakPolarHBondContact O-CG 3.34Å; R308-K312 PolarHBondContact O-N 3.03Å; E309-K312 PolarHBondContact O-N 3.21Å; R310-K312 PolarHBondContact O-N 3.02Å
313	H	86.8	Confident	89.8	Confident	165 Å²	165	63.2 Å²	63.2	76%	0.764	30%	0.3	S	S	*	.	H	α-helix	trans	-90.1	-37	-178.3	-68.4	-67.6	0	0	0	112.7	E309 R310 L311	E309-H313 PolarHBondContact O-CD2 3.23Å; E309-H313 VanDerWaalsContact O-CD2 3.25Å; R310-H313 PolarHBondContact O-N 2.77Å; L311-H313 VanDerWaalsContact C-N 3.31Å
314	N	88.7	Confident	90	Very high	74 Å²	74	64.7 Å²	64.7	40%	0.396	31%	0.309	S	S	.	.			trans	-138.9	110.4	179.1	-179.9	3.9	0	0	0	110.1	R310 L311 D316 W317	R310-N314 PolarHBondContact O-N 3.48Å; L311-N314 WeakPolarHBondContact CA-O 3Å; N314-D316 VanDerWaalsContact C-N 3.25Å; N314-D316 PolarHBondContact O-N 3.46Å; N314-D316 PolarHBondContact OD1-N 2.92Å; N314-W317 HydrophobicContact CB-CB 3.96Å; N314-W317 VanDerWaalsContact O-CB 3.25Å; N314-W317 WeakPolarHBondContact O-CB 3.02Å; N314-W317 PolarHBondContact O-N 3.09Å
315	K	85.5	Confident	90.1	Very high	184 Å²	184	68.4 Å²	68.4	80%	0.8	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.2	-178.7	-67.2	-171.6	178.1	-175.9	0	113.4	W317	K315-W317 VanDerWaalsContact C-N 3.31Å
316	D	85.8	Confident	90.3	Very high	153 Å²	153	64 Å²	64	82%	0.818	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	7.6	-179.4	-58.5	-33.6	0	0	0	112.2	N314	N314-D316 VanDerWaalsContact C-N 3.25Å; N314-D316 PolarHBondContact O-N 3.46Å; N314-D316 PolarHBondContact OD1-N 2.92Å
317	W	91.4	Very high	90.4	Very high	24 Å²	24	64.3 Å²	64.3	9%	0.091	31%	0.308	C	S	.	.			trans	-73.1	140.6	-179.9	176.2	91	0	0	0	111.9	Y306 A307 R310 L311 N314 K315 L319 E322	Y306-W317 HydrophobicContact CD1-CH2 4.05Å; Y306-W317 HydrophobicContact CD1-CZ2 4.24Å; Y306-W317 AromaticContact CE1-CH2 3.9Å; Y306-W317 HydrophobicContact CE1-CH2 3.9Å; Y306-W317 AromaticContact CE1-CZ2 3.61Å; Y306-W317 HydrophobicContact CE1-CZ2 3.61Å; A307-W317 HydrophobicContact CB-CH2 4Å; A307-W317 HydrophobicContact CB-CZ3 3.64Å; R310-W317 HydrophobicContact CB-CD2 3.48Å; R310-W317 VanDerWaalsContact CB-CD2 3.48Å; R310-W317 HydrophobicContact CB-CE3 3.59Å; R310-W317 HydrophobicContact CB-CG 4.06Å; R310-W317 HydrophobicContact CB-CH2 3.9Å; R310-W317 HydrophobicContact CB-CZ2 3.85Å; R310-W317 HydrophobicContact CB-CZ3 3.81Å; R310-W317 HydrophobicContact CG-CD2 4.2Å; R310-W317 HydrophobicContact CG-CE3 4.5Å; R310-W317 HydrophobicContact CG-CH2 3.99Å; R310-W317 HydrophobicContact CG-CZ2 3.69Å; R310-W317 HydrophobicContact CG-CZ3 4.41Å; L311-W317 HydrophobicContact CD2-CE3 4.31Å; L311-W317 HydrophobicContact CG-CE3 4.19Å; N314-W317 HydrophobicContact CB-CB 3.96Å; N314-W317 VanDerWaalsContact O-CB 3.25Å; N314-W317 WeakPolarHBondContact O-CB 3.02Å; N314-W317 PolarHBondContact O-N 3.09Å; K315-W317 VanDerWaalsContact C-N 3.31Å; W317-L319 HydrophobicContact CH2-CB 3.48Å; W317-L319 VanDerWaalsContact CH2-CB 3.48Å; W317-L319 HydrophobicContact CH2-CD1 3.87Å; W317-L319 HydrophobicContact CH2-CG 4.21Å; W317-L319 HydrophobicContact CZ2-CB 4.03Å; W317-L319 HydrophobicContact CZ2-CD1 3.99Å; W317-L319 HydrophobicContact CZ3-CB 4.01Å; W317-E322 VanDerWaalsContact CZ2-OE2 3.29Å; W317-E322 WeakPolarHBondContact CZ2-OE2 3.31Å; W317-E322 VanDerWaalsContact NE1-CD 3.26Å; W317-E322 PolarHBondContact NE1-OE1 3.04Å; W317-E322 PolarHBondContact NE1-OE2 3.4Å
318	S	89.5	Confident	90.4	Very high	43 Å²	43	68.1 Å²	68.1	30%	0.301	33%	0.328	S	S	.	.			trans	-131.7	125.9	175.8	172.4	0	0	0	0	110.7	C320 V321 E322	S318-C320 PolarHBondContact O-N 3.14Å; S318-C320 PolarHBondContact OG-N 3.04Å; S318-V321 PolarHBondContact O-N 3.47Å; S318-E322 PolarHBondContact O-N 3.09Å; S318-E322 VanDerWaalsContact O-N 3.12Å
319	L	91	Very high	90.5	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-39.4	175.1	-178.4	58.5	0	0	0	111.7	F303 Y306 W317 V321 E322 L323 L475 Y487	F303-L319 HydrophobicContact CB-CD2 4.26Å; F303-L319 HydrophobicContact CD1-CD2 3.59Å; F303-L319 HydrophobicContact CE1-CD2 4.24Å; F303-L319 HydrophobicContact CG-CD2 4.18Å; Y306-L319 HydrophobicContact CD1-CD1 3.93Å; Y306-L319 HydrophobicContact CE1-CD1 3.82Å; W317-L319 HydrophobicContact CH2-CB 3.48Å; W317-L319 VanDerWaalsContact CH2-CB 3.48Å; W317-L319 HydrophobicContact CH2-CD1 3.87Å; W317-L319 HydrophobicContact CH2-CG 4.21Å; W317-L319 HydrophobicContact CZ2-CB 4.03Å; W317-L319 HydrophobicContact CZ2-CD1 3.99Å; W317-L319 HydrophobicContact CZ3-CB 4.01Å; L319-V321 VanDerWaalsContact C-N 3.35Å; L319-V321 PolarHBondContact O-N 2.94Å; L319-E322 PolarHBondContact O-N 3.21Å; L319-L323 HydrophobicContact CD1-CD1 3.95Å; L319-L323 HydrophobicContact CD1-CD2 4.47Å; L319-L323 HydrophobicContact CD1-CG 3.9Å; L319-L323 HydrophobicContact CG-CD1 3.91Å; L319-L323 HydrophobicContact CG-CG 4.27Å; L319-L323 WeakPolarHBondContact O-CB 3.36Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 2.78Å; L319-L475 HydrophobicContact CD2-CD2 3.75Å; L319-L475 HydrophobicContact CD2-CG 4.35Å; L319-L475 HydrophobicContact CG-CD2 4.02Å; L319-Y487 HydrophobicContact CB-CE1 3.97Å; L319-Y487 WeakPolarHBondContact CB-OH 3.27Å; L319-Y487 HydrophobicContact CD2-CD1 4.23Å; L319-Y487 HydrophobicContact CD2-CE1 3.72Å; L319-Y487 HydrophobicContact CG-CE1 4.44Å
320	C	91.2	Very high	90.3	Very high	23 Å²	23	68.4 Å²	68.4	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-57.7	-48	177.5	177.5	0	0	0	0	110.9	S318 L324 I471	S318-C320 PolarHBondContact O-N 3.14Å; S318-C320 PolarHBondContact OG-N 3.04Å; C320-L324 VanDerWaalsContact O-CB 3.3Å; C320-L324 WeakPolarHBondContact O-CB 3.45Å; C320-L324 WeakPolarHBondContact O-CG 3.44Å; C320-L324 PolarHBondContact O-N 2.91Å; C320-I471 HydrophobicContact CB-CG2 4.35Å; C320-I471 PolarHBondContact SG-O 2.82Å
321	V	91.7	Very high	90.2	Very high	75 Å²	75	72.4 Å²	72.4	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-42.5	-179.8	177.4	0	0	0	0	111.1	S318 L319 L324 Q325	S318-V321 PolarHBondContact O-N 3.47Å; L319-V321 VanDerWaalsContact C-N 3.35Å; L319-V321 PolarHBondContact O-N 2.94Å; V321-L324 PolarHBondContact O-N 3.25Å; V321-Q325 HydrophobicContact CG1-CG 4.5Å; V321-Q325 WeakPolarHBondContact O-CG 3.35Å; V321-Q325 PolarHBondContact O-N 2.8Å
322	E	92.7	Very high	90.2	Very high	15 Å²	15	71.5 Å²	71.5	7%	0.07	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-44	-179.6	-164.8	172.9	-107.3	0	0	111.9	Y306 R310 W317 S318 L319 Q325 F326 C333 L336	Y306-E322 WeakPolarHBondContact CE1-OE2 3.27Å; Y306-E322 PolarHBondContact OH-OE2 2.8Å; R310-E322 IonicContact CZ-OE1 2.67Å; R310-E322 IonicContact NE-OE1 3.51Å; R310-E322 PolarHBondContact NE-OE1 3.07Å; R310-E322 IonicContact NH2-OE1 2.63Å; R310-E322 PolarHBondContact NH2-OE1 3.32Å; W317-E322 VanDerWaalsContact CZ2-OE2 3.29Å; W317-E322 WeakPolarHBondContact CZ2-OE2 3.31Å; W317-E322 VanDerWaalsContact NE1-CD 3.26Å; W317-E322 PolarHBondContact NE1-OE1 3.04Å; W317-E322 PolarHBondContact NE1-OE2 3.4Å; S318-E322 PolarHBondContact O-N 3.09Å; S318-E322 VanDerWaalsContact O-N 3.12Å; L319-E322 PolarHBondContact O-N 3.21Å; E322-Q325 PolarHBondContact O-N 3.42Å; E322-F326 PolarHBondContact O-N 2.86Å; E322-C333 PolarHBondContact OE1-SG 2.83Å; E322-L336 HydrophobicContact CG-CD2 4.28Å
323	L	93.4	Very high	90.3	Very high	4 Å²	4	64 Å²	64	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-68.8	-35.4	175.6	-66.9	178.3	0	0	0	112.4	L319 F326 I327 L336 W439 I471 L475	L319-L323 HydrophobicContact CD1-CD1 3.95Å; L319-L323 HydrophobicContact CD1-CD2 4.47Å; L319-L323 HydrophobicContact CD1-CG 3.9Å; L319-L323 HydrophobicContact CG-CD1 3.91Å; L319-L323 HydrophobicContact CG-CG 4.27Å; L319-L323 WeakPolarHBondContact O-CB 3.36Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 2.78Å; L323-F326 PolarHBondContact O-N 3.41Å; L323-I327 PolarHBondContact O-N 2.83Å; L323-L336 HydrophobicContact CD2-CD1 4.28Å; L323-L336 HydrophobicContact CD2-CD2 4.37Å; L323-W439 HydrophobicContact CB-CH2 4.47Å; L323-W439 HydrophobicContact CD2-CH2 4.18Å; L323-I471 HydrophobicContact CB-CD1 3.94Å; L323-I471 HydrophobicContact CB-CG1 4.36Å; L323-I471 HydrophobicContact CB-CG2 3.97Å; L323-I471 HydrophobicContact CD1-CG1 4.47Å; L323-L475 HydrophobicContact CD1-CD2 3.64Å
324	L	93	Very high	90.5	Very high	35 Å²	35	61 Å²	61	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-42.5	173.6	-76.1	174.3	0	0	0	111.7	C320 V321 F326 I327 L328 I468 I471	C320-L324 VanDerWaalsContact O-CB 3.3Å; C320-L324 WeakPolarHBondContact O-CB 3.45Å; C320-L324 WeakPolarHBondContact O-CG 3.44Å; C320-L324 PolarHBondContact O-N 2.91Å; V321-L324 PolarHBondContact O-N 3.25Å; L324-F326 VanDerWaalsContact C-N 3.25Å; L324-F326 PolarHBondContact O-N 2.82Å; L324-I327 HydrophobicContact CD2-CG2 4.45Å; L324-I327 WeakPolarHBondContact O-CG2 3.21Å; L324-I327 PolarHBondContact O-N 3.49Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.27Å; L324-I468 HydrophobicContact CD2-CG1 4.4Å; L324-I468 HydrophobicContact CD2-CG2 4.02Å; L324-I471 HydrophobicContact CD2-CB 4.47Å; L324-I471 HydrophobicContact CD2-CG2 4.22Å; L324-I471 HydrophobicContact CG-CG2 3.93Å
325	Q	92.5	Very high	90.6	Very high	83 Å²	83	61.6 Å²	61.6	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-37.9	173.5	-74.5	176.1	-1	0	0	111.5	V321 E322 F329	V321-Q325 HydrophobicContact CG1-CG 4.5Å; V321-Q325 WeakPolarHBondContact O-CG 3.35Å; V321-Q325 PolarHBondContact O-N 2.8Å; E322-Q325 PolarHBondContact O-N 3.42Å; Q325-F329 HydrophobicContact CB-CD2 4.33Å; Q325-F329 HydrophobicContact CG-CD2 4.4Å; Q325-F329 WeakPolarHBondContact O-CB 3.3Å; Q325-F329 PolarHBondContact O-N 2.83Å
326	F	93.7	Very high	90.9	Very high	11 Å²	11	52.9 Å²	52.9	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-46.8	178.3	-173.5	-151.3	0	0	0	112.4	E322 L323 L324 G330 H331 C332 L336 L340 W439 A443 Q447	E322-F326 PolarHBondContact O-N 2.86Å; L323-F326 PolarHBondContact O-N 3.41Å; L324-F326 VanDerWaalsContact C-N 3.25Å; L324-F326 PolarHBondContact O-N 2.82Å; F326-G330 WeakPolarHBondContact O-CA 3.43Å; F326-G330 PolarHBondContact O-N 2.74Å; F326-H331 WeakPolarHBondContact CA-O 3.29Å; F326-C332 HydrophobicContact CD2-CB 3.83Å; F326-C332 HydrophobicContact CE2-CB 3.63Å; F326-C332 HydrophobicContact CZ-CB 4.15Å; F326-L336 HydrophobicContact CB-CD2 4.28Å; F326-L336 HydrophobicContact CD1-CD2 3.98Å; F326-L336 HydrophobicContact CG-CD2 4.26Å; F326-L340 HydrophobicContact CD1-CD1 4.38Å; F326-L340 HydrophobicContact CE1-CD1 3.71Å; F326-L340 HydrophobicContact CZ-CD1 4.47Å; F326-W439 HydrophobicContact CB-CZ2 4.42Å; F326-W439 AromaticContact CD1-CH2 3.88Å; F326-W439 HydrophobicContact CD1-CH2 3.88Å; F326-W439 AromaticContact CD1-CZ2 3.6Å; F326-W439 HydrophobicContact CD1-CZ2 3.6Å; F326-W439 HydrophobicContact CE1-CZ2 4.15Å; F326-W439 HydrophobicContact CG-CZ2 4.14Å; F326-A443 HydrophobicContact CE1-CB 3.64Å; F326-A443 HydrophobicContact CZ-CB 3.66Å; F326-Q447 HydrophobicContact CZ-CG 4.03Å
327	I	92.2	Very high	91.2	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.077	27%	0.272	C	S	.	.	H	α-helix	trans	-74.3	-29.8	179.1	-165.8	166.1	0	0	0	113.6	L323 L324 W439 R464 V467 I468	L323-I327 PolarHBondContact O-N 2.83Å; L324-I327 HydrophobicContact CD2-CG2 4.45Å; L324-I327 WeakPolarHBondContact O-CG2 3.21Å; L324-I327 PolarHBondContact O-N 3.49Å; I327-W439 HydrophobicContact CB-CH2 4.37Å; I327-W439 HydrophobicContact CB-CZ2 3.66Å; I327-W439 HydrophobicContact CD1-CD2 4.14Å; I327-W439 HydrophobicContact CD1-CG 4.29Å; I327-W439 HydrophobicContact CD1-CZ2 4.43Å; I327-W439 HydrophobicContact CG1-CZ2 4.22Å; I327-R464 HydrophobicContact CD1-CG 4.01Å; I327-R464 HydrophobicContact CG1-CG 4.19Å; I327-R464 PolarHBondContact O-NH2 3.24Å; I327-V467 HydrophobicContact CD1-CB 3.66Å; I327-V467 HydrophobicContact CD1-CG1 3.37Å; I327-I468 HydrophobicContact CD1-CG1 4.34Å; I327-I468 HydrophobicContact CG2-CG1 4.16Å
328	L	91.3	Very high	91.2	Very high	80 Å²	80	55.9 Å²	55.9	42%	0.419	29%	0.292	S	S	.	.	H	α-helix	trans	-82.2	-44.4	-178.3	-68.3	174.6	0	0	0	112.4	L324 R464 I468	L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.27Å; L328-R464 PolarHBondContact O-NH2 3.41Å; L328-I468 HydrophobicContact CD2-CD1 4.04Å
329	F	91	Very high	91.3	Very high	163 Å²	163	54.2 Å²	54.2	72%	0.715	28%	0.28	S	S	*	.	H	α-helix	trans	-113.7	-8.3	-171.4	-52.8	-65.3	0	0	0	114.2	Q325 H331	Q325-F329 HydrophobicContact CB-CD2 4.33Å; Q325-F329 HydrophobicContact CG-CD2 4.4Å; Q325-F329 WeakPolarHBondContact O-CB 3.3Å; Q325-F329 PolarHBondContact O-N 2.83Å; F329-H331 HydrophobicContact CB-CB 4.41Å; F329-H331 PolarHBondContact O-N 2.87Å
330	G	86.5	Confident	91.3	Very high	50 Å²	50	54.3 Å²	54.3	52%	0.515	28%	0.28	S	S	.	.			trans	71.8	8.2	-172.2	0	0	0	0	0	113.7	F326 C332	F326-G330 WeakPolarHBondContact O-CA 3.43Å; F326-G330 PolarHBondContact O-N 2.74Å; G330-C332 PolarHBondContact O-N 2.92Å
331	H	88.9	Confident	91.1	Very high	116 Å²	116	55.5 Å²	55.5	54%	0.537	29%	0.287	S	S	.	.			trans	-78.9	110.8	-179.1	-173.9	70.9	0	0	0	110.4	F326 F329	F326-H331 WeakPolarHBondContact CA-O 3.29Å; F329-H331 HydrophobicContact CB-CB 4.41Å; F329-H331 PolarHBondContact O-N 2.87Å
332	C	89.4	Confident	90.9	Very high	13 Å²	13	57.8 Å²	57.8	9%	0.088	29%	0.292	C	S	.	.			trans	-110.3	114	174.3	-171.7	0	0	0	0	109.1	F326 G330 R337 Q447	F326-C332 HydrophobicContact CD2-CB 3.83Å; F326-C332 HydrophobicContact CE2-CB 3.63Å; F326-C332 HydrophobicContact CZ-CB 4.15Å; G330-C332 PolarHBondContact O-N 2.92Å; C332-R337 PolarHBondContact SG-N 3.22Å; C332-Q447 HydrophobicContact CB-CG 4.4Å
333	C	90.3	Very high	90.7	Very high	17 Å²	17	59.5 Å²	59.5	12%	0.115	30%	0.302	C	S	.	.			trans	-66	155.5	176.6	65.7	0	0	0	0	110.9	E322 E335 L336 R337	E322-C333 PolarHBondContact OE1-SG 2.83Å; C333-E335 PolarHBondContact O-N 2.74Å; C333-L336 PolarHBondContact O-N 2.89Å; C333-L336 WeakPolarHBondContact SG-CB 3.33Å; C333-L336 PolarHBondContact SG-N 2.83Å; C333-L336 VanDerWaalsContact SG-N 3.35Å; C333-R337 PolarHBondContact O-N 2.8Å
334	P	90.4	Very high	90.4	Very high	101 Å²	101	59.3 Å²	59.3	66%	0.656	30%	0.301	S	S	*	.	H	α-helix	trans	-56.2	-36.8	-178.2	-25.7	34.8	0	0	0	113.7	R337 K338	P334-R337 PolarHBondContact O-N 2.73Å; P334-K338 WeakPolarHBondContact O-CB 3.21Å; P334-K338 PolarHBondContact O-N 2.98Å
335	E	91.8	Very high	90.2	Very high	88 Å²	88	60.3 Å²	60.3	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-70	-43	179.2	-59.4	93.8	139.3	0	0	111.9	R310 C333 R337 K338 F339	R310-E335 IonicContact CZ-OE1 3.87Å; R310-E335 IonicContact NH1-OE1 2.61Å; R310-E335 PolarHBondContact NH1-OE1 3.16Å; R310-E335 IonicContact NH1-OE2 3.25Å; C333-E335 PolarHBondContact O-N 2.74Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-K338 PolarHBondContact O-N 2.93Å; E335-F339 PolarHBondContact O-N 3.01Å
336	L	91.9	Very high	90	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-40.9	174.1	-178.3	64.5	0	0	0	110.5	Y306 E322 L323 F326 C333 K338 F339 L340	Y306-L336 HydrophobicContact CE1-CD1 4.11Å; Y306-L336 WeakPolarHBondContact OH-CA 3.41Å; Y306-L336 WeakPolarHBondContact OH-CB 3.25Å; Y306-L336 PolarHBondContact OH-N 2.87Å; E322-L336 HydrophobicContact CG-CD2 4.28Å; L323-L336 HydrophobicContact CD2-CD1 4.28Å; L323-L336 HydrophobicContact CD2-CD2 4.37Å; F326-L336 HydrophobicContact CB-CD2 4.28Å; F326-L336 HydrophobicContact CD1-CD2 3.98Å; F326-L336 HydrophobicContact CG-CD2 4.26Å; C333-L336 PolarHBondContact O-N 2.89Å; C333-L336 WeakPolarHBondContact SG-CB 3.33Å; C333-L336 PolarHBondContact SG-N 2.83Å; C333-L336 VanDerWaalsContact SG-N 3.35Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 3.38Å; L336-F339 HydrophobicContact CD1-CD1 4.21Å; L336-F339 PolarHBondContact O-N 3.17Å; L336-L340 HydrophobicContact CD1-CD1 4.01Å; L336-L340 HydrophobicContact CD1-CD2 4.44Å; L336-L340 HydrophobicContact CD1-CG 3.92Å; L336-L340 HydrophobicContact CD2-CD1 4.31Å; L336-L340 HydrophobicContact CG-CD1 3.8Å; L336-L340 HydrophobicContact CG-CG 4.1Å; L336-L340 VanDerWaalsContact O-CB 3.27Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 VanDerWaalsContact O-CG 3.24Å; L336-L340 WeakPolarHBondContact O-CG 3.43Å; L336-L340 PolarHBondContact O-N 3.38Å
337	R	90.7	Very high	89.8	Confident	123 Å²	123	59.8 Å²	59.8	46%	0.464	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-47	174.7	-179.6	-178.7	-64.5	170.1	3.2	110.9	C332 C333 P334 E335 L340 V341 Q447	C332-R337 PolarHBondContact SG-N 3.22Å; C333-R337 PolarHBondContact O-N 2.8Å; P334-R337 PolarHBondContact O-N 2.73Å; E335-R337 VanDerWaalsContact C-N 3.34Å; R337-L340 PolarHBondContact O-N 3.16Å; R337-V341 HydrophobicContact CG-CG2 4.22Å; R337-V341 WeakPolarHBondContact O-CB 3.45Å; R337-V341 WeakPolarHBondContact O-CG2 3.33Å; R337-V341 PolarHBondContact O-N 2.73Å; R337-Q447 HydrophobicContact CG-CB 4.36Å; R337-Q447 VanDerWaalsContact NH2-OE1 3.16Å
338	K	91.5	Very high	89.7	Confident	116 Å²	116	59.7 Å²	59.7	50%	0.504	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-48.5	177.2	-169.4	-173.3	177.4	-174.9	0	111	P334 E335 L336 L340 V341 E342	P334-K338 WeakPolarHBondContact O-CB 3.21Å; P334-K338 PolarHBondContact O-N 2.98Å; E335-K338 PolarHBondContact O-N 2.93Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 3.38Å; K338-L340 PolarHBondContact O-N 2.79Å; K338-V341 PolarHBondContact O-N 2.77Å; K338-E342 WeakPolarHBondContact CE-OE2 3.42Å; K338-E342 HydrophobicContact CG-CB 4.47Å; K338-E342 HydrophobicContact CG-CG 4.27Å; K338-E342 VanDerWaalsContact CG-OE2 3.26Å; K338-E342 WeakPolarHBondContact CG-OE2 3.41Å; K338-E342 WeakPolarHBondContact O-CA 3.25Å; K338-E342 VanDerWaalsContact O-CB 3.25Å; K338-E342 WeakPolarHBondContact O-CB 3.21Å; K338-E342 PolarHBondContact O-N 3.31Å
339	F	92.2	Very high	89.7	Confident	9 Å²	9	56 Å²	56	4%	0.039	30%	0.301	C	S	.	.	I	π-helix	trans	-59.5	-47.5	177.6	170.8	-108.8	0	0	0	112.5	K302 Y306 E335 L336 D343 W344	K302-F339 HydrophobicContact CB-CE2 4.48Å; K302-F339 HydrophobicContact CB-CZ 4.29Å; Y306-F339 HydrophobicContact CD1-CD1 4.29Å; Y306-F339 HydrophobicContact CD1-CE1 4.46Å; Y306-F339 HydrophobicContact CD1-CG 4.48Å; Y306-F339 HydrophobicContact CD2-CB 3.53Å; Y306-F339 HydrophobicContact CD2-CD1 4.11Å; Y306-F339 AromaticContact CD2-CD2 3.74Å; Y306-F339 HydrophobicContact CD2-CD2 3.74Å; Y306-F339 HydrophobicContact CD2-CE2 4.48Å; Y306-F339 AromaticContact CD2-CG 3.51Å; Y306-F339 HydrophobicContact CD2-CG 3.51Å; Y306-F339 HydrophobicContact CE2-CB 3.58Å; Y306-F339 HydrophobicContact CE2-CD1 4.43Å; Y306-F339 AromaticContact CE2-CG 3.98Å; Y306-F339 HydrophobicContact CE2-CG 3.98Å; Y306-F339 HydrophobicContact CG-CB 4.32Å; Y306-F339 HydrophobicContact CG-CD1 4.04Å; Y306-F339 AromaticContact CG-CD2 3.89Å; Y306-F339 HydrophobicContact CG-CD2 3.89Å; Y306-F339 HydrophobicContact CG-CE1 4.32Å; Y306-F339 HydrophobicContact CG-CE2 4.18Å; Y306-F339 AromaticContact CG-CG 3.81Å; Y306-F339 HydrophobicContact CG-CG 3.81Å; Y306-F339 HydrophobicContact CG-CZ 4.38Å; E335-F339 PolarHBondContact O-N 3.01Å; L336-F339 HydrophobicContact CD1-CD1 4.21Å; L336-F339 PolarHBondContact O-N 3.17Å; F339-D343 HydrophobicContact CD2-CB 3.81Å; F339-D343 HydrophobicContact CE2-CB 4.36Å; F339-D343 WeakPolarHBondContact O-CB 3.34Å; F339-D343 PolarHBondContact O-N 2.83Å; F339-D343 VanDerWaalsContact O-N 3.16Å; F339-W344 AromaticContact CE1-CE3 3.92Å; F339-W344 HydrophobicContact CE1-CE3 3.92Å; F339-W344 HydrophobicContact CE2-CB 4.42Å; F339-W344 HydrophobicContact CZ-CB 4.29Å; F339-W344 AromaticContact CZ-CE3 3.7Å; F339-W344 HydrophobicContact CZ-CE3 3.7Å; F339-W344 HydrophobicContact CZ-CZ3 4.4Å; F339-W344 PolarHBondContact O-N 3.07Å
340	L	90.1	Very high	89.6	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	29%	0.294	C	S	.	.	I	π-helix	trans	-69.7	-33.5	-177.4	-73.1	-174.7	0	0	0	113.4	F326 L336 R337 K338 W344 L440 I444	F326-L340 HydrophobicContact CD1-CD1 4.38Å; F326-L340 HydrophobicContact CE1-CD1 3.71Å; F326-L340 HydrophobicContact CZ-CD1 4.47Å; L336-L340 HydrophobicContact CD1-CD1 4.01Å; L336-L340 HydrophobicContact CD1-CD2 4.44Å; L336-L340 HydrophobicContact CD1-CG 3.92Å; L336-L340 HydrophobicContact CD2-CD1 4.31Å; L336-L340 HydrophobicContact CG-CD1 3.8Å; L336-L340 HydrophobicContact CG-CG 4.1Å; L336-L340 VanDerWaalsContact O-CB 3.27Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 VanDerWaalsContact O-CG 3.24Å; L336-L340 WeakPolarHBondContact O-CG 3.43Å; L336-L340 PolarHBondContact O-N 3.38Å; R337-L340 PolarHBondContact O-N 3.16Å; K338-L340 PolarHBondContact O-N 2.79Å; L340-W344 CarbonylContact O-C 3.59Å; L340-L440 HydrophobicContact CD1-CD1 4.27Å; L340-L440 HydrophobicContact CD2-CD1 3.69Å; L340-L440 HydrophobicContact CD2-CG 4.33Å; L340-I444 HydrophobicContact CB-CG1 3.96Å; L340-I444 HydrophobicContact CD2-CD1 4.46Å; L340-I444 HydrophobicContact CD2-CG1 4.23Å; L340-I444 HydrophobicContact CG-CG1 4.5Å; L340-I444 WeakPolarHBondContact O-CG2 3.48Å
341	V	88.3	Confident	89.8	Confident	48 Å²	48	60 Å²	60	29%	0.291	30%	0.3	S	S	.	.	I	π-helix	trans	-93.1	-41.5	-176.8	178	0	0	0	0	112.2	R337 K338 Q447	R337-V341 HydrophobicContact CG-CG2 4.22Å; R337-V341 WeakPolarHBondContact O-CB 3.45Å; R337-V341 WeakPolarHBondContact O-CG2 3.33Å; R337-V341 PolarHBondContact O-N 2.73Å; K338-V341 PolarHBondContact O-N 2.77Å; V341-Q447 HydrophobicContact CG2-CB 4.09Å
342	E	87.9	Confident	89.8	Confident	123 Å²	123	54.6 Å²	54.6	58%	0.575	28%	0.275	S	S	*	.	I	π-helix	trans	-97.7	-48.5	-172.9	-57	179.3	-175.1	0	0	112.5	K338	K338-E342 WeakPolarHBondContact CE-OE2 3.42Å; K338-E342 HydrophobicContact CG-CB 4.47Å; K338-E342 HydrophobicContact CG-CG 4.27Å; K338-E342 VanDerWaalsContact CG-OE2 3.26Å; K338-E342 WeakPolarHBondContact CG-OE2 3.41Å; K338-E342 WeakPolarHBondContact O-CA 3.25Å; K338-E342 VanDerWaalsContact O-CB 3.25Å; K338-E342 WeakPolarHBondContact O-CB 3.21Å; K338-E342 PolarHBondContact O-N 3.31Å
343	D	86.9	Confident	89.9	Confident	50 Å²	50	54.1 Å²	54.1	27%	0.267	27%	0.273	S	S	.	.	I	π-helix	trans	-85.2	-37.1	-172.8	-74.5	-47.5	0	0	0	113.9	K302 K305 F339	K302-D343 PolarHBondContact NZ-O 2.96Å; K305-D343 IonicContact NZ-OD1 2.65Å; F339-D343 HydrophobicContact CD2-CB 3.81Å; F339-D343 HydrophobicContact CE2-CB 4.36Å; F339-D343 WeakPolarHBondContact O-CB 3.34Å; F339-D343 PolarHBondContact O-N 2.83Å; F339-D343 VanDerWaalsContact O-N 3.16Å
344	W	88.8	Confident	89.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-125.4	58.7	179.4	-159	12.6	0	0	0	111.5	M299 K302 F303 F339 L340 L349 T352 L440	M299-W344 HydrophobicContact CG-CZ2 4.5Å; K302-W344 HydrophobicContact CB-CD2 4.35Å; K302-W344 HydrophobicContact CB-CE3 4.31Å; K302-W344 HydrophobicContact CD-CG 4.42Å; K302-W344 HydrophobicContact CG-CD2 4.35Å; K302-W344 HydrophobicContact CG-CG 4.45Å; F303-W344 HydrophobicContact CD1-CZ3 4.36Å; F303-W344 HydrophobicContact CE1-CH2 4.49Å; F303-W344 AromaticContact CE1-CZ3 3.73Å; F303-W344 HydrophobicContact CE1-CZ3 3.73Å; F303-W344 AromaticContact CE2-CH2 3.9Å; F303-W344 HydrophobicContact CE2-CH2 3.9Å; F303-W344 AromaticContact CE2-CZ3 3.95Å; F303-W344 HydrophobicContact CE2-CZ3 3.95Å; F303-W344 AromaticContact CZ-CH2 3.82Å; F303-W344 HydrophobicContact CZ-CH2 3.82Å; F303-W344 AromaticContact CZ-CZ3 3.49Å; F303-W344 HydrophobicContact CZ-CZ3 3.49Å; F303-W344 VanDerWaalsContact CZ-CZ3 3.49Å; F339-W344 AromaticContact CE1-CE3 3.92Å; F339-W344 HydrophobicContact CE1-CE3 3.92Å; F339-W344 HydrophobicContact CE2-CB 4.42Å; F339-W344 HydrophobicContact CZ-CB 4.29Å; F339-W344 AromaticContact CZ-CE3 3.7Å; F339-W344 HydrophobicContact CZ-CE3 3.7Å; F339-W344 HydrophobicContact CZ-CZ3 4.4Å; F339-W344 PolarHBondContact O-N 3.07Å; L340-W344 CarbonylContact O-C 3.59Å; W344-L349 HydrophobicContact CD2-CD1 4Å; W344-L349 VanDerWaalsContact CE2-CD1 3.46Å; W344-L349 HydrophobicContact CE3-CD1 4.39Å; W344-L349 HydrophobicContact CH2-CD1 3.88Å; W344-L349 HydrophobicContact CZ2-CD1 3.4Å; W344-L349 VanDerWaalsContact CZ2-CD1 3.4Å; W344-L349 HydrophobicContact CZ3-CD1 4.34Å; W344-T352 HydrophobicContact CZ2-CG2 4.1Å; W344-L440 HydrophobicContact CE3-CD2 4.47Å; W344-L440 HydrophobicContact CZ3-CD2 4.16Å
345	T	88.7	Confident	89.8	Confident	56 Å²	56	55 Å²	55	34%	0.344	28%	0.281	S	S	.	.			trans	-42.3	152.7	179.3	73.5	0	0	0	0	113.9	A347 S348 L349	T345-A347 PolarHBondContact O-N 3.07Å; T345-A347 VanDerWaalsContact O-N 3.09Å; T345-S348 PolarHBondContact N-OG 2.89Å; T345-S348 PolarHBondContact O-N 3.48Å; T345-S348 PolarHBondContact O-OG 3.15Å; T345-S348 PolarHBondContact OG1-N 2.82Å; T345-S348 PolarHBondContact OG1-OG 2.79Å; T345-L349 PolarHBondContact O-N 2.89Å
346	A	88.3	Confident	89.7	Confident	17 Å²	17	51 Å²	51	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-53.2	-35.5	177.1	0	0	0	0	0	113.4	K350 Y441 I444 L445	A346-K350 WeakPolarHBondContact O-CB 3.46Å; A346-K350 PolarHBondContact O-N 2.66Å; A346-Y441 HydrophobicContact CB-CD2 4.24Å; A346-Y441 HydrophobicContact CB-CE2 3.92Å; A346-Y441 WeakPolarHBondContact O-CE2 3.16Å; A346-I444 HydrophobicContact CB-CG2 3.86Å; A346-L445 HydrophobicContact CB-CD2 4.11Å
347	A	88.9	Confident	89.6	Confident	67 Å²	67	52.8 Å²	52.8	55%	0.554	27%	0.272	S	S	*	.	H	α-helix	trans	-71.4	-40.7	178	0	0	0	0	0	112.6	T345 R351	T345-A347 PolarHBondContact O-N 3.07Å; T345-A347 VanDerWaalsContact O-N 3.09Å; A347-R351 WeakPolarHBondContact O-CG 3.2Å; A347-R351 PolarHBondContact O-N 3.24Å
348	S	89.8	Confident	89.5	Confident	12 Å²	12	54.2 Å²	54.2	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-48.5	171.3	42.4	0	0	0	0	111.5	T345 K350 R351 T352	T345-S348 PolarHBondContact N-OG 2.89Å; T345-S348 PolarHBondContact O-N 3.48Å; T345-S348 PolarHBondContact O-OG 3.15Å; T345-S348 PolarHBondContact OG1-N 2.82Å; T345-S348 PolarHBondContact OG1-OG 2.79Å; S348-K350 VanDerWaalsContact C-N 3.29Å; S348-K350 PolarHBondContact O-N 3.42Å; S348-R351 WeakPolarHBondContact O-CA 3.29Å; S348-R351 WeakPolarHBondContact O-CB 3.45Å; S348-R351 PolarHBondContact O-N 3.13Å; S348-T352 PolarHBondContact O-N 3.06Å; S348-T352 PolarHBondContact O-OG1 3.31Å
349	L	90.4	Very high	89.4	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-42	180	-177.7	71.4	0	0	0	111.8	W344 T345 R351 T352 G353 F437 L440 I444	W344-L349 HydrophobicContact CD2-CD1 4Å; W344-L349 VanDerWaalsContact CE2-CD1 3.46Å; W344-L349 HydrophobicContact CE3-CD1 4.39Å; W344-L349 HydrophobicContact CH2-CD1 3.88Å; W344-L349 HydrophobicContact CZ2-CD1 3.4Å; W344-L349 VanDerWaalsContact CZ2-CD1 3.4Å; W344-L349 HydrophobicContact CZ3-CD1 4.34Å; T345-L349 PolarHBondContact O-N 2.89Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 3.14Å; L349-T352 PolarHBondContact O-N 3.28Å; L349-G353 PolarHBondContact O-N 2.85Å; L349-F437 HydrophobicContact CD1-CD1 3.75Å; L349-F437 HydrophobicContact CD1-CE1 3.82Å; L349-F437 HydrophobicContact CG-CD1 4.22Å; L349-L440 HydrophobicContact CD1-CD2 3.81Å; L349-L440 HydrophobicContact CD2-CB 3.84Å; L349-L440 HydrophobicContact CD2-CD2 3.89Å; L349-L440 HydrophobicContact CD2-CG 3.73Å; L349-I444 HydrophobicContact CB-CD1 4.16Å; L349-I444 HydrophobicContact CD2-CD1 3.45Å; L349-I444 VanDerWaalsContact CD2-CD1 3.45Å; L349-I444 HydrophobicContact CG-CD1 4.37Å
350	K	90.3	Very high	89.3	Confident	129 Å²	129	49.1 Å²	49.1	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-60.4	-43.8	176.2	-172.9	176.5	-179.8	-179.2	0	111.4	A346 S348 T354 Y441	A346-K350 WeakPolarHBondContact O-CB 3.46Å; A346-K350 PolarHBondContact O-N 2.66Å; S348-K350 VanDerWaalsContact C-N 3.29Å; S348-K350 PolarHBondContact O-N 3.42Å; K350-T354 WeakPolarHBondContact O-CG2 3.32Å; K350-T354 PolarHBondContact O-N 3.25Å; K350-T354 PolarHBondContact O-OG1 2.9Å; K350-T354 VanDerWaalsContact O-OG1 3.07Å; K350-Y441 HydrophobicContact CB-CD2 4.33Å; K350-Y441 HydrophobicContact CB-CE2 4.09Å; K350-Y441 HydrophobicContact CD-CE2 4.37Å
351	R	90.1	Very high	89.3	Confident	170 Å²	170	52.4 Å²	52.4	64%	0.642	28%	0.277	S	S	*	.	H	α-helix	trans	-63.8	-50.5	176.2	-73.1	-172.6	-65.2	156.2	0.6	111.4	A347 S348 L349 G353 T354 A355	A347-R351 WeakPolarHBondContact O-CG 3.2Å; A347-R351 PolarHBondContact O-N 3.24Å; S348-R351 WeakPolarHBondContact O-CA 3.29Å; S348-R351 WeakPolarHBondContact O-CB 3.45Å; S348-R351 PolarHBondContact O-N 3.13Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 3.14Å; R351-G353 VanDerWaalsContact C-N 3.33Å; R351-G353 PolarHBondContact O-N 2.82Å; R351-T354 WeakPolarHBondContact CA-OG1 3.4Å; R351-T354 PolarHBondContact O-N 3.06Å; R351-T354 PolarHBondContact O-OG1 3.48Å; R351-A355 WeakPolarHBondContact O-CB 2.95Å; R351-A355 PolarHBondContact O-N 3.48Å
352	T	89.7	Confident	89.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-55.7	-47.7	176.8	-46.1	0	0	0	0	111.2	E298 M299 W344 S348 L349 T354 A355 T356	E298-T352 HydrophobicContact CB-CG2 4.15Å; E298-T352 HydrophobicContact CG-CG2 4.03Å; E298-T352 PolarHBondContact OE1-OG1 3.03Å; E298-T352 WeakPolarHBondContact OE2-CA 3.31Å; E298-T352 VanDerWaalsContact OE2-CB 3.29Å; E298-T352 WeakPolarHBondContact OE2-CB 3.37Å; E298-T352 VanDerWaalsContact OE2-CG2 3.28Å; E298-T352 WeakPolarHBondContact OE2-CG2 3.24Å; E298-T352 PolarHBondContact OE2-OG1 3.34Å; M299-T352 HydrophobicContact CG-CG2 3.82Å; W344-T352 HydrophobicContact CZ2-CG2 4.1Å; S348-T352 PolarHBondContact O-N 3.06Å; S348-T352 PolarHBondContact O-OG1 3.31Å; L349-T352 PolarHBondContact O-N 3.28Å; T352-T354 PolarHBondContact O-N 3.17Å; T352-A355 PolarHBondContact O-N 2.95Å; T352-T356 VanDerWaalsContact O-CB 3.27Å; T352-T356 WeakPolarHBondContact O-CB 3.4Å; T352-T356 PolarHBondContact O-N 3.49Å; T352-T356 PolarHBondContact O-OG1 3.18Å
353	G	90.1	Very high	89.5	Confident	4 Å²	4	45.9 Å²	45.9	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-44.5	178.4	0	0	0	0	0	112.5	L349 R351 T356 L357	L349-G353 PolarHBondContact O-N 2.85Å; R351-G353 VanDerWaalsContact C-N 3.33Å; R351-G353 PolarHBondContact O-N 2.82Å; G353-T356 PolarHBondContact O-N 3.25Å; G353-L357 WeakPolarHBondContact O-CB 3.5Å; G353-L357 VanDerWaalsContact O-CG 3.23Å; G353-L357 WeakPolarHBondContact O-CG 2.95Å; G353-L357 PolarHBondContact O-N 2.88Å
354	T	90.6	Very high	89.7	Confident	84 Å²	84	46.3 Å²	46.3	52%	0.515	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-41.2	176.2	53.1	0	0	0	0	112.9	K350 R351 T352 K358	K350-T354 WeakPolarHBondContact O-CG2 3.32Å; K350-T354 PolarHBondContact O-N 3.25Å; K350-T354 PolarHBondContact O-OG1 2.9Å; K350-T354 VanDerWaalsContact O-OG1 3.07Å; R351-T354 WeakPolarHBondContact CA-OG1 3.4Å; R351-T354 PolarHBondContact O-N 3.06Å; R351-T354 PolarHBondContact O-OG1 3.48Å; T352-T354 PolarHBondContact O-N 3.17Å; T354-K358 VanDerWaalsContact O-CB 3.29Å; T354-K358 WeakPolarHBondContact O-CB 3.49Å; T354-K358 PolarHBondContact O-N 3.29Å
355	A	89	Confident	89.8	Confident	53 Å²	53	48.6 Å²	48.6	44%	0.438	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-44.6	177.1	0	0	0	0	0	110.9	R351 T352 K358 A359	R351-A355 WeakPolarHBondContact O-CB 2.95Å; R351-A355 PolarHBondContact O-N 3.48Å; T352-A355 PolarHBondContact O-N 2.95Å; A355-K358 PolarHBondContact O-N 3.01Å; A355-A359 WeakPolarHBondContact O-CB 3.47Å; A355-A359 PolarHBondContact O-N 2.66Å
356	T	89	Confident	89.9	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-52.4	178.1	-56.3	0	0	0	0	111.6	M295 M299 T352 G353 K358 A359 Y360 L433 F437	M295-T356 HydrophobicContact CG-CG2 3.94Å; M295-T356 HydrophobicContact SD-CG2 3.74Å; M299-T356 HydrophobicContact SD-CG2 4.01Å; T352-T356 VanDerWaalsContact O-CB 3.27Å; T352-T356 WeakPolarHBondContact O-CB 3.4Å; T352-T356 PolarHBondContact O-N 3.49Å; T352-T356 PolarHBondContact O-OG1 3.18Å; G353-T356 PolarHBondContact O-N 3.25Å; T356-K358 VanDerWaalsContact C-N 3.31Å; T356-K358 PolarHBondContact O-N 3.45Å; T356-A359 PolarHBondContact O-N 2.86Å; T356-Y360 HydrophobicContact CG2-CD2 4Å; T356-Y360 HydrophobicContact CG2-CE2 3.96Å; T356-Y360 WeakPolarHBondContact O-CD2 3.47Å; T356-Y360 PolarHBondContact O-N 3.33Å; T356-L433 HydrophobicContact CG2-CD1 4.18Å; T356-F437 HydrophobicContact CG2-CE2 4.07Å; T356-F437 HydrophobicContact CG2-CZ 4.35Å
357	L	90.6	Very high	90.1	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.199	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-39.6	179.2	-65.9	174.4	0	0	0	111.9	G353 Y360 E361 L430 L433 R434	G353-L357 WeakPolarHBondContact O-CB 3.5Å; G353-L357 VanDerWaalsContact O-CG 3.23Å; G353-L357 WeakPolarHBondContact O-CG 2.95Å; G353-L357 PolarHBondContact O-N 2.88Å; L357-Y360 PolarHBondContact O-N 2.88Å; L357-E361 WeakPolarHBondContact O-CG 3.46Å; L357-E361 PolarHBondContact O-N 3.31Å; L357-E361 VanDerWaalsContact O-N 3.1Å; L357-L430 HydrophobicContact CD2-CD2 3.93Å; L357-L430 HydrophobicContact CD2-CG 4.16Å; L357-L433 HydrophobicContact CD2-CB 4.36Å; L357-R434 HydrophobicContact CD1-CG 3.87Å; L357-R434 HydrophobicContact CD2-CG 3.6Å; L357-R434 HydrophobicContact CG-CG 4.4Å
358	K	89.4	Confident	90.1	Very high	154 Å²	154	48.4 Å²	48.4	67%	0.67	24%	0.24	S	C	*	.	H	α-helix	trans	-65.6	-38.6	176.4	-172.1	-179.2	178.8	-173.2	0	112.1	T354 A355 T356 E361 S362	T354-K358 VanDerWaalsContact O-CB 3.29Å; T354-K358 WeakPolarHBondContact O-CB 3.49Å; T354-K358 PolarHBondContact O-N 3.29Å; A355-K358 PolarHBondContact O-N 3.01Å; T356-K358 VanDerWaalsContact C-N 3.31Å; T356-K358 PolarHBondContact O-N 3.45Å; K358-E361 PolarHBondContact O-N 3.4Å; K358-S362 WeakPolarHBondContact O-CB 3.46Å; K358-S362 PolarHBondContact O-N 3.02Å; K358-S362 PolarHBondContact O-OG 3.04Å
359	A	88.5	Confident	90.1	Very high	15 Å²	15	50.5 Å²	50.5	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-46.3	176.8	0	0	0	0	0	111.4	M295 A355 T356 E361 S362 I363	M295-A359 HydrophobicContact CB-CB 3.72Å; M295-A359 HydrophobicContact CG-CB 3.82Å; M295-A359 HydrophobicContact SD-CB 3.77Å; A355-A359 WeakPolarHBondContact O-CB 3.47Å; A355-A359 PolarHBondContact O-N 2.66Å; T356-A359 PolarHBondContact O-N 2.86Å; A359-E361 PolarHBondContact O-N 3.01Å; A359-S362 WeakPolarHBondContact O-CB 3.4Å; A359-S362 PolarHBondContact O-N 2.81Å; A359-S362 VanDerWaalsContact O-N 3.11Å; A359-I363 WeakPolarHBondContact O-CG1 3.5Å; A359-I363 PolarHBondContact O-N 2.74Å
360	Y	90.1	Very high	90.1	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-44.2	174.7	-89	-81.8	0	0	0	113.1	M295 T356 L357 S362 I363 K364 I426 L433 D490 V492	M295-Y360 HydrophobicContact CE-CD2 4.16Å; M295-Y360 HydrophobicContact CE-CE2 3.47Å; M295-Y360 VanDerWaalsContact CE-CE2 3.47Å; M295-Y360 HydrophobicContact SD-CD2 3.36Å; M295-Y360 WeakPolarHBondContact SD-CD2 3.17Å; M295-Y360 HydrophobicContact SD-CE2 3.28Å; M295-Y360 WeakPolarHBondContact SD-CE2 3.17Å; M295-Y360 HydrophobicContact SD-CG 4.32Å; T356-Y360 HydrophobicContact CG2-CD2 4Å; T356-Y360 HydrophobicContact CG2-CE2 3.96Å; T356-Y360 WeakPolarHBondContact O-CD2 3.47Å; T356-Y360 PolarHBondContact O-N 3.33Å; L357-Y360 PolarHBondContact O-N 2.88Å; Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 2.92Å; Y360-I363 PolarHBondContact O-N 2.84Å; Y360-K364 WeakPolarHBondContact O-CB 3.33Å; Y360-K364 PolarHBondContact O-N 3.33Å; Y360-I426 HydrophobicContact CD1-CB 4.27Å; Y360-I426 HydrophobicContact CD1-CG1 4.08Å; Y360-I426 HydrophobicContact CD1-CG2 3.73Å; Y360-I426 HydrophobicContact CE1-CG1 4.29Å; Y360-L433 HydrophobicContact CD2-CD1 3.99Å; Y360-L433 HydrophobicContact CE2-CD1 3.38Å; Y360-D490 WeakPolarHBondContact OH-CB 3.41Å; Y360-V492 HydrophobicContact CE1-CG2 3.63Å
361	E	89.5	Confident	90.2	Very high	71 Å²	71	44.4 Å²	44.4	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-34.9	175.3	-67.4	-67.9	180	0	0	111.7	L357 K358 A359 T365 L430 R434	L357-E361 WeakPolarHBondContact O-CG 3.46Å; L357-E361 PolarHBondContact O-N 3.31Å; L357-E361 VanDerWaalsContact O-N 3.1Å; K358-E361 PolarHBondContact O-N 3.4Å; A359-E361 PolarHBondContact O-N 3.01Å; E361-T365 WeakPolarHBondContact O-CB 3.02Å; E361-T365 PolarHBondContact O-N 2.85Å; E361-T365 PolarHBondContact O-OG1 3.13Å; E361-L430 HydrophobicContact CG-CD1 4.03Å; E361-L430 WeakPolarHBondContact OE1-CD1 3.49Å; E361-R434 IonicContact OE1-CZ 3.97Å; E361-R434 IonicContact OE1-NH2 2.84Å; E361-R434 PolarHBondContact OE1-NH2 2.78Å
362	S	89.3	Confident	90.4	Very high	35 Å²	35	37.1 Å²	37.1	25%	0.245	20%	0.195	C	C	.	.	H	α-helix	trans	-67.9	-47.3	176.1	-56.4	0	0	0	0	111.5	K358 A359 Y360 K364 T365 I366	K358-S362 WeakPolarHBondContact O-CB 3.46Å; K358-S362 PolarHBondContact O-N 3.02Å; K358-S362 PolarHBondContact O-OG 3.04Å; A359-S362 WeakPolarHBondContact O-CB 3.4Å; A359-S362 PolarHBondContact O-N 2.81Å; A359-S362 VanDerWaalsContact O-N 3.11Å; Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 2.92Å; S362-K364 VanDerWaalsContact C-N 3.34Å; S362-K364 PolarHBondContact O-N 2.96Å; S362-T365 WeakPolarHBondContact O-CB 3.2Å; S362-T365 PolarHBondContact O-N 3.03Å; S362-T365 VanDerWaalsContact O-N 3.17Å; S362-I366 VanDerWaalsContact O-CG1 3.31Å; S362-I366 WeakPolarHBondContact O-CG1 3.21Å; S362-I366 PolarHBondContact O-N 3.1Å
363	I	91.1	Very high	90.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-47.4	175.4	-66.7	166.3	0	0	0	110.2	V288 C291 W292 A359 Y360 T365 I366 C367 I426	V288-I363 HydrophobicContact CB-CG2 4.48Å; V288-I363 HydrophobicContact CG1-CG1 4.49Å; V288-I363 HydrophobicContact CG1-CG2 3.68Å; V288-I363 HydrophobicContact CG2-CG2 4.25Å; C291-I363 HydrophobicContact CB-CD1 4.31Å; C291-I363 HydrophobicContact CB-CG1 3.82Å; W292-I363 HydrophobicContact CB-CD1 3.88Å; A359-I363 WeakPolarHBondContact O-CG1 3.5Å; A359-I363 PolarHBondContact O-N 2.74Å; Y360-I363 PolarHBondContact O-N 2.84Å; I363-T365 VanDerWaalsContact C-N 3.28Å; I363-T365 PolarHBondContact O-N 3.16Å; I363-I366 PolarHBondContact O-N 3.32Å; I363-C367 PolarHBondContact O-N 3.29Å; I363-C367 PolarHBondContact O-SG 3.08Å; I363-C367 VanDerWaalsContact O-SG 3.35Å; I363-I426 HydrophobicContact CB-CD1 4.4Å; I363-I426 HydrophobicContact CG2-CD1 3.56Å
364	K	90.9	Very high	90.8	Very high	58 Å²	58	37.8 Å²	37.8	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-56	-45.2	176.5	-173.9	-175	-178.6	-179.7	0	111.4	Y360 S362 C367 F368 I426 E427	Y360-K364 WeakPolarHBondContact O-CB 3.33Å; Y360-K364 PolarHBondContact O-N 3.33Å; S362-K364 VanDerWaalsContact C-N 3.34Å; S362-K364 PolarHBondContact O-N 2.96Å; K364-C367 PolarHBondContact O-N 2.83Å; K364-F368 WeakPolarHBondContact O-CB 3.38Å; K364-F368 PolarHBondContact O-N 2.82Å; K364-I426 HydrophobicContact CB-CG2 4.13Å; K364-E427 HydrophobicContact CD-CG 4.43Å; K364-E427 WeakPolarHBondContact CE-OE1 3.46Å; K364-E427 IonicContact NZ-OE1 2.64Å; K364-E427 PolarHBondContact NZ-OE1 2.74Å
365	T	90.6	Very high	91.1	Very high	48 Å²	48	33.9 Å²	33.9	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-63	-44.8	177.9	-59.8	0	0	0	0	111.6	T150 E361 S362 I363 F368 Q369	T150-T365 HydrophobicContact CG2-CG2 4.44Å; E361-T365 WeakPolarHBondContact O-CB 3.02Å; E361-T365 PolarHBondContact O-N 2.85Å; E361-T365 PolarHBondContact O-OG1 3.13Å; S362-T365 WeakPolarHBondContact O-CB 3.2Å; S362-T365 PolarHBondContact O-N 3.03Å; S362-T365 VanDerWaalsContact O-N 3.17Å; I363-T365 VanDerWaalsContact C-N 3.28Å; I363-T365 PolarHBondContact O-N 3.16Å; T365-F368 PolarHBondContact O-N 3.06Å; T365-Q369 VanDerWaalsContact CG2-CD 3.49Å; T365-Q369 HydrophobicContact CG2-CG 4.22Å; T365-Q369 WeakPolarHBondContact O-CB 2.97Å; T365-Q369 PolarHBondContact O-N 3Å
366	I	90.8	Very high	91.3	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-47	176.6	-66.6	159.6	0	0	0	110.7	T150 Q287 V288 S362 I363 F368 Q370 I371	T150-I366 HydrophobicContact CG2-CG1 3.96Å; Q287-I366 HydrophobicContact CB-CD1 3.93Å; Q287-I366 HydrophobicContact CB-CG2 4.37Å; V288-I366 HydrophobicContact CG2-CB 4.08Å; V288-I366 HydrophobicContact CG2-CG2 3.58Å; S362-I366 VanDerWaalsContact O-CG1 3.31Å; S362-I366 WeakPolarHBondContact O-CG1 3.21Å; S362-I366 PolarHBondContact O-N 3.1Å; I363-I366 PolarHBondContact O-N 3.32Å; I366-F368 VanDerWaalsContact C-N 3.29Å; I366-F368 PolarHBondContact O-N 3.37Å; I366-Q370 HydrophobicContact CG2-CB 4.41Å; I366-Q370 WeakPolarHBondContact O-CA 3.45Å; I366-Q370 WeakPolarHBondContact O-CB 3.45Å; I366-Q370 PolarHBondContact O-N 3.48Å; I366-I371 HydrophobicContact CG2-CG1 4.46Å; I366-I371 PolarHBondContact O-N 3.08Å
367	C	92.5	Very high	91.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-57.3	-43.7	177.2	-70.8	0	0	0	0	111.5	I363 K364 Q372 T419 Q423	I363-C367 PolarHBondContact O-N 3.29Å; I363-C367 PolarHBondContact O-SG 3.08Å; I363-C367 VanDerWaalsContact O-SG 3.35Å; K364-C367 PolarHBondContact O-N 2.83Å; C367-Q372 WeakPolarHBondContact O-CG 3.3Å; C367-Q372 PolarHBondContact O-N 3.4Å; C367-Q372 VanDerWaalsContact O-N 3.09Å; C367-T419 HydrophobicContact CB-CG2 4.01Å; C367-Q423 VanDerWaalsContact C-NE2 3.33Å; C367-Q423 HydrophobicContact CB-CG 3.91Å
368	F	90.5	Very high	91.8	Very high	130 Å²	130	34.7 Å²	34.7	57%	0.57	17%	0.166	S	C	*	.	I	π-helix	trans	-77.5	-48.7	-176.4	-178	-111.4	0	0	0	113.2	K364 T365 I366 Q372	K364-F368 WeakPolarHBondContact O-CB 3.38Å; K364-F368 PolarHBondContact O-N 2.82Å; T365-F368 PolarHBondContact O-N 3.06Å; I366-F368 VanDerWaalsContact C-N 3.29Å; I366-F368 PolarHBondContact O-N 3.37Å; F368-Q372 VanDerWaalsContact CD2-OE1 3.31Å
369	Q	88.5	Confident	92	Very high	56 Å²	56	29.3 Å²	29.3	26%	0.262	14%	0.144	S	C	.	.	I	π-helix	trans	-86.9	-29.1	-171.9	-65.6	178.3	-15.4	0	0	113.3	L148 S149 T150 T365 F373	L148-Q369 WeakPolarHBondContact CD2-O 3.41Å; S149-Q369 VanDerWaalsContact OG-CD 3.28Å; S149-Q369 PolarHBondContact OG-NE2 2.87Å; S149-Q369 PolarHBondContact OG-OE1 2.77Å; T150-Q369 PolarHBondContact OG1-OE1 3.21Å; T365-Q369 VanDerWaalsContact CG2-CD 3.49Å; T365-Q369 HydrophobicContact CG2-CG 4.22Å; T365-Q369 WeakPolarHBondContact O-CB 2.97Å; T365-Q369 PolarHBondContact O-N 3Å; Q369-F373 VanDerWaalsContact O-CB 3.22Å; Q369-F373 WeakPolarHBondContact O-CB 3.46Å
370	Q	90.3	Very high	92.3	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.014	15%	0.148	C	C	.	.	I	π-helix	trans	-109	-59.6	-175.5	-54.9	-179.9	8	0	0	112.3	L148 T150 W283 S284 I366 Q372 F373 F374	L148-Q370 HydrophobicContact CD1-CG 4.35Å; T150-Q370 VanDerWaalsContact CB-NE2 3.26Å; W283-Q370 VanDerWaalsContact CZ3-OE1 3.26Å; S284-Q370 WeakPolarHBondContact OG-CB 3.31Å; S284-Q370 PolarHBondContact OG-OE1 3.07Å; I366-Q370 HydrophobicContact CG2-CB 4.41Å; I366-Q370 WeakPolarHBondContact O-CA 3.45Å; I366-Q370 WeakPolarHBondContact O-CB 3.45Å; I366-Q370 PolarHBondContact O-N 3.48Å; Q370-Q372 PolarHBondContact O-N 3.19Å; Q370-F373 WeakPolarHBondContact O-CB 3.21Å; Q370-F373 PolarHBondContact O-N 3.24Å; Q370-F374 HydrophobicContact CB-CD2 4.4Å; Q370-F374 HydrophobicContact CB-CE2 4.13Å; Q370-F374 WeakPolarHBondContact O-CD2 3.38Å; Q370-F374 WeakPolarHBondContact O-CG 3.32Å; Q370-F374 PolarHBondContact O-N 3.25Å
371	I	94.1	Very high	92.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.148	C	C	.	.	I	π-helix	trans	-61.8	-51.3	-173.9	-65.2	-179.6	0	0	0	110.2	L281 V288 I366 F373 F374 L375 T419	L281-I371 HydrophobicContact CD1-CB 4.34Å; L281-I371 HydrophobicContact CD1-CG1 4.4Å; L281-I371 HydrophobicContact CD1-CG2 3.87Å; V288-I371 HydrophobicContact CG2-CD1 3.92Å; I366-I371 HydrophobicContact CG2-CG1 4.46Å; I366-I371 PolarHBondContact O-N 3.08Å; I371-F373 VanDerWaalsContact C-N 3.31Å; I371-F373 PolarHBondContact O-N 3.35Å; I371-F374 PolarHBondContact O-N 3.39Å; I371-L375 HydrophobicContact CG2-CD1 3.76Å; I371-L375 HydrophobicContact CG2-CG 4.32Å; I371-L375 WeakPolarHBondContact O-CB 3.36Å; I371-L375 WeakPolarHBondContact O-CG 3.15Å; I371-L375 PolarHBondContact O-N 3.3Å; I371-T419 HydrophobicContact CB-CG2 4.29Å; I371-T419 HydrophobicContact CG2-CG2 3.76Å
372	Q	93.8	Very high	92.6	Very high	16 Å²	16	27.3 Å²	27.3	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-40.7	176.8	-72.4	-179.1	1.4	0	0	112.3	C367 F368 Q370 L375 Q376 L416 T419 Q423	C367-Q372 WeakPolarHBondContact O-CG 3.3Å; C367-Q372 PolarHBondContact O-N 3.4Å; C367-Q372 VanDerWaalsContact O-N 3.09Å; F368-Q372 VanDerWaalsContact CD2-OE1 3.31Å; Q370-Q372 PolarHBondContact O-N 3.19Å; Q372-L375 PolarHBondContact O-N 3.37Å; Q372-Q376 WeakPolarHBondContact O-CB 3.39Å; Q372-Q376 VanDerWaalsContact O-CG 3.27Å; Q372-Q376 WeakPolarHBondContact O-CG 3.41Å; Q372-Q376 PolarHBondContact O-N 3.02Å; Q372-L416 HydrophobicContact CB-CD1 4.21Å; Q372-L416 HydrophobicContact CG-CD1 3.84Å; Q372-T419 HydrophobicContact CG-CG2 4.12Å; Q372-Q423 VanDerWaalsContact NE2-NE2 3.18Å; Q372-Q423 VanDerWaalsContact NE2-OE1 3.09Å
373	F	92.9	Very high	92.8	Very high	20 Å²	20	28.2 Å²	28.2	9%	0.088	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-49.4	177.3	176.3	-95.1	0	0	0	112.1	F142 P143 V145 L148 Q369 Q370 I371 L375 Q376 R377	F142-F373 HydrophobicContact CB-CE2 4.48Å; F142-F373 HydrophobicContact CB-CZ 4.3Å; F142-F373 AromaticContact CD1-CE2 3.88Å; F142-F373 HydrophobicContact CD1-CE2 3.88Å; F142-F373 HydrophobicContact CD1-CZ 4.13Å; P143-F373 HydrophobicContact CG-CE2 3.88Å; P143-F373 HydrophobicContact CG-CZ 4.39Å; V145-F373 HydrophobicContact CG2-CE1 4.27Å; L148-F373 HydrophobicContact CD1-CD1 3.91Å; L148-F373 HydrophobicContact CD1-CE1 4.31Å; L148-F373 HydrophobicContact CD1-CG 4.38Å; L148-F373 HydrophobicContact CD2-CD1 4.36Å; L148-F373 HydrophobicContact CD2-CD2 4.3Å; L148-F373 HydrophobicContact CD2-CG 4.18Å; Q369-F373 VanDerWaalsContact O-CB 3.22Å; Q369-F373 WeakPolarHBondContact O-CB 3.46Å; Q370-F373 WeakPolarHBondContact O-CB 3.21Å; Q370-F373 PolarHBondContact O-N 3.24Å; I371-F373 VanDerWaalsContact C-N 3.31Å; I371-F373 PolarHBondContact O-N 3.35Å; F373-L375 PolarHBondContact O-N 3.01Å; F373-Q376 PolarHBondContact O-N 3.38Å; F373-R377 WeakPolarHBondContact O-CB 3.33Å; F373-R377 PolarHBondContact O-N 3.45Å
374	F	94.6	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-34.3	178.9	-64.9	-49.8	0	0	0	112.4	V145 L148 T277 L280 L281 S284 Q370 I371 R377 L378	V145-F374 HydrophobicContact CG1-CE1 3.87Å; V145-F374 HydrophobicContact CG1-CZ 3.74Å; V145-F374 HydrophobicContact CG2-CE1 4.21Å; L148-F374 HydrophobicContact CD1-CE2 4.48Å; L148-F374 HydrophobicContact CD1-CZ 4.03Å; T277-F374 HydrophobicContact CG2-CB 4.12Å; T277-F374 HydrophobicContact CG2-CD1 4.09Å; L280-F374 HydrophobicContact CB-CD1 4.09Å; L280-F374 HydrophobicContact CB-CD2 4.22Å; L280-F374 HydrophobicContact CB-CE1 3.81Å; L280-F374 HydrophobicContact CB-CE2 3.93Å; L280-F374 HydrophobicContact CB-CG 4.31Å; L280-F374 HydrophobicContact CB-CZ 3.73Å; L280-F374 HydrophobicContact CD1-CD1 4.43Å; L280-F374 HydrophobicContact CD1-CE1 3.74Å; L280-F374 HydrophobicContact CD1-CZ 4.13Å; L280-F374 HydrophobicContact CD2-CZ 4.26Å; L280-F374 HydrophobicContact CG-CE1 4.29Å; L280-F374 HydrophobicContact CG-CZ 4.27Å; L281-F374 HydrophobicContact CB-CB 4.14Å; L281-F374 HydrophobicContact CD1-CB 4.4Å; S284-F374 WeakPolarHBondContact OG-CE2 3.19Å; Q370-F374 HydrophobicContact CB-CD2 4.4Å; Q370-F374 HydrophobicContact CB-CE2 4.13Å; Q370-F374 WeakPolarHBondContact O-CD2 3.38Å; Q370-F374 WeakPolarHBondContact O-CG 3.32Å; Q370-F374 PolarHBondContact O-N 3.25Å; I371-F374 PolarHBondContact O-N 3.39Å; F374-R377 PolarHBondContact O-N 3.5Å; F374-L378 WeakPolarHBondContact O-CB 3.3Å; F374-L378 VanDerWaalsContact O-CG 3.31Å; F374-L378 WeakPolarHBondContact O-CG 3.37Å; F374-L378 PolarHBondContact O-N 3.32Å
375	L	96.3	Very high	92.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-41.8	172.8	-70.6	172.4	0	0	0	112.1	L281 I371 Q372 F373 L378 L379 I412 T415 L416 M559	L281-L375 HydrophobicContact CD1-CD2 4.38Å; L281-L375 HydrophobicContact CD1-CG 4.27Å; L281-L375 HydrophobicContact CD2-CD2 3.78Å; L281-L375 HydrophobicContact CD2-CG 4.49Å; I371-L375 HydrophobicContact CG2-CD1 3.76Å; I371-L375 HydrophobicContact CG2-CG 4.32Å; I371-L375 WeakPolarHBondContact O-CB 3.36Å; I371-L375 WeakPolarHBondContact O-CG 3.15Å; I371-L375 PolarHBondContact O-N 3.3Å; Q372-L375 PolarHBondContact O-N 3.37Å; F373-L375 PolarHBondContact O-N 3.01Å; L375-L378 PolarHBondContact O-N 2.68Å; L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 PolarHBondContact O-N 3.01Å; L375-I412 HydrophobicContact CB-CG2 4.38Å; L375-I412 HydrophobicContact CD2-CG2 4.25Å; L375-I412 WeakPolarHBondContact O-CG2 3.3Å; L375-T415 HydrophobicContact CD1-CG2 3.88Å; L375-T415 HydrophobicContact CD2-CG2 3.77Å; L375-T415 HydrophobicContact CG-CG2 4.48Å; L375-L416 HydrophobicContact CB-CD1 4.29Å; L375-L416 HydrophobicContact CD1-CB 4.25Å; L375-L416 HydrophobicContact CD1-CD1 4.12Å; L375-M559 HydrophobicContact CD2-CE 3.82Å
376	Q	94.3	Very high	93	Very high	96 Å²	96	27.3 Å²	27.3	45%	0.449	13%	0.132	S	C	.	.	H	α-helix	trans	-65.1	-40	174.9	-73.8	171.5	-11.5	0	0	111.8	F142 Q372 F373 L379 F380	F142-Q376 HydrophobicContact CE1-CB 4.28Å; Q372-Q376 WeakPolarHBondContact O-CB 3.39Å; Q372-Q376 VanDerWaalsContact O-CG 3.27Å; Q372-Q376 WeakPolarHBondContact O-CG 3.41Å; Q372-Q376 PolarHBondContact O-N 3.02Å; F373-Q376 PolarHBondContact O-N 3.38Å; Q376-L379 WeakPolarHBondContact O-CB 3.4Å; Q376-L379 PolarHBondContact O-N 3.35Å; Q376-F380 PolarHBondContact O-N 3.06Å
377	R	93.5	Very high	93	Very high	15 Å²	15	29.2 Å²	29.2	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-42.2	175	-171.6	-178.4	177.9	95.4	0.7	112	V138 F142 T277 F373 F374 L379 F380 H381	V138-R377 VanDerWaalsContact CG1-NH2 3.27Å; F142-R377 HydrophobicContact CD1-CB 4.16Å; F142-R377 HydrophobicContact CD1-CG 4.43Å; F142-R377 HydrophobicContact CE1-CB 3.87Å; F142-R377 HydrophobicContact CE1-CG 4.43Å; F142-R377 HydrophobicContact CZ-CB 4.25Å; T277-R377 HydrophobicContact CG2-CB 4.05Å; T277-R377 HydrophobicContact CG2-CG 4.09Å; F373-R377 WeakPolarHBondContact O-CB 3.33Å; F373-R377 PolarHBondContact O-N 3.45Å; F374-R377 PolarHBondContact O-N 3.5Å; R377-L379 VanDerWaalsContact C-N 3.34Å; R377-F380 WeakPolarHBondContact O-CB 2.9Å; R377-F380 PolarHBondContact O-N 3.12Å; R377-H381 PolarHBondContact O-CD2 2.92Å; R377-H381 PolarHBondContact O-N 3.2Å; R377-H381 VanDerWaalsContact O-N 3.13Å
378	L	95.4	Very high	92.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-44.3	172.1	-75	170.8	0	0	0	111	I274 T277 L281 F374 L375 F380 H381 V382 I412 M559	I274-L378 HydrophobicContact CB-CD2 4.36Å; I274-L378 HydrophobicContact CG2-CD2 3.99Å; T277-L378 HydrophobicContact CG2-CD2 3.94Å; T277-L378 HydrophobicContact CG2-CG 3.71Å; L281-L378 HydrophobicContact CD2-CD1 3.84Å; F374-L378 WeakPolarHBondContact O-CB 3.3Å; F374-L378 VanDerWaalsContact O-CG 3.31Å; F374-L378 WeakPolarHBondContact O-CG 3.37Å; F374-L378 PolarHBondContact O-N 3.32Å; L375-L378 PolarHBondContact O-N 2.68Å; L378-F380 VanDerWaalsContact C-N 3.28Å; L378-F380 PolarHBondContact O-N 3.05Å; L378-H381 PolarHBondContact O-N 3.37Å; L378-V382 WeakPolarHBondContact O-CB 3.25Å; L378-V382 VanDerWaalsContact O-CG2 3.24Å; L378-V382 WeakPolarHBondContact O-CG2 3.37Å; L378-V382 PolarHBondContact O-N 3Å; L378-I412 HydrophobicContact CB-CD1 3.81Å; L378-I412 HydrophobicContact CB-CG1 4.35Å; L378-M559 HydrophobicContact CD1-SD 3.94Å
379	L	94.7	Very high	92.8	Very high	40 Å²	40	23.7 Å²	23.7	21%	0.209	13%	0.13	C	C	.	.	H	α-helix	trans	-56.8	-43.2	177.5	-170.6	74.2	0	0	0	111.3	L375 Q376 R377 S383 L409 I412 Y543	L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 PolarHBondContact O-N 3.01Å; Q376-L379 WeakPolarHBondContact O-CB 3.4Å; Q376-L379 PolarHBondContact O-N 3.35Å; R377-L379 VanDerWaalsContact C-N 3.34Å; L379-S383 VanDerWaalsContact O-CB 3.26Å; L379-S383 WeakPolarHBondContact O-CB 3.23Å; L379-S383 PolarHBondContact O-N 3.05Å; L379-S383 PolarHBondContact O-OG 3.44Å; L379-L409 HydrophobicContact CD1-CD2 3.52Å; L379-L409 HydrophobicContact CG-CD2 4.34Å; L379-I412 HydrophobicContact CB-CG2 4.11Å; L379-I412 HydrophobicContact CD1-CG2 4.18Å; L379-Y543 HydrophobicContact CD1-CE1 4.41Å; L379-Y543 WeakPolarHBondContact CD1-OH 3.36Å
380	F	93.8	Very high	92.9	Very high	48 Å²	48	27.1 Å²	27.1	21%	0.211	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-56.2	174.6	174.3	-90.1	0	0	0	112.1	V138 Y141 F142 Q376 R377 L378 V382 S383 E384	V138-F380 HydrophobicContact CG2-CD1 4.32Å; V138-F380 HydrophobicContact CG2-CE1 3.64Å; V138-F380 HydrophobicContact CG2-CZ 4.41Å; Y141-F380 HydrophobicContact CD2-CE2 4.04Å; Y141-F380 HydrophobicContact CD2-CZ 4.32Å; Y141-F380 HydrophobicContact CE2-CE2 4.38Å; F142-F380 HydrophobicContact CE2-CB 3.78Å; F142-F380 HydrophobicContact CE2-CD1 4.22Å; F142-F380 HydrophobicContact CE2-CD2 4.09Å; F142-F380 AromaticContact CE2-CG 3.75Å; F142-F380 HydrophobicContact CE2-CG 3.75Å; F142-F380 HydrophobicContact CZ-CB 3.83Å; F142-F380 HydrophobicContact CZ-CG 4.32Å; Q376-F380 PolarHBondContact O-N 3.06Å; R377-F380 WeakPolarHBondContact O-CB 2.9Å; R377-F380 PolarHBondContact O-N 3.12Å; L378-F380 VanDerWaalsContact C-N 3.28Å; L378-F380 PolarHBondContact O-N 3.05Å; F380-V382 VanDerWaalsContact C-N 3.34Å; F380-V382 PolarHBondContact O-N 3.37Å; F380-S383 PolarHBondContact O-N 2.91Å; F380-S383 VanDerWaalsContact O-N 3.17Å; F380-E384 HydrophobicContact CE1-CG 4.09Å; F380-E384 HydrophobicContact CZ-CG 4.09Å; F380-E384 PolarHBondContact O-N 2.82Å
381	H	93.2	Very high	92.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-177.2	-71.7	-64.3	0	0	0	112.7	Q270 S273 I274 R377 L378 S383 E384 V385	Q270-H381 PolarHBondContact OE1-ND1 2.8Å; S273-H381 VanDerWaalsContact CB-CE1 3.46Å; S273-H381 WeakPolarHBondContact CB-CE1 3.45Å; I274-H381 HydrophobicContact CD1-CB 4.23Å; I274-H381 HydrophobicContact CG1-CB 3.67Å; R377-H381 PolarHBondContact O-CD2 2.92Å; R377-H381 PolarHBondContact O-N 3.2Å; R377-H381 VanDerWaalsContact O-N 3.13Å; L378-H381 PolarHBondContact O-N 3.37Å; H381-S383 VanDerWaalsContact C-N 3.35Å; H381-E384 PolarHBondContact O-N 3.3Å; H381-V385 WeakPolarHBondContact O-CG2 3.25Å; H381-V385 PolarHBondContact O-N 3.38Å; H381-V385 VanDerWaalsContact O-N 3.09Å
382	V	94.5	Very high	92.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.3	-30.7	179.6	-175.5	0	0	0	0	111.1	I274 L378 F380 V385 L386 A405 L408 L409 I412	I274-V382 HydrophobicContact CD1-CG2 3.76Å; I274-V382 HydrophobicContact CG1-CG2 4.12Å; L378-V382 WeakPolarHBondContact O-CB 3.25Å; L378-V382 VanDerWaalsContact O-CG2 3.24Å; L378-V382 WeakPolarHBondContact O-CG2 3.37Å; L378-V382 PolarHBondContact O-N 3Å; F380-V382 VanDerWaalsContact C-N 3.34Å; F380-V382 PolarHBondContact O-N 3.37Å; V382-V385 PolarHBondContact O-N 3.31Å; V382-L386 WeakPolarHBondContact O-CB 3.39Å; V382-L386 PolarHBondContact O-N 2.96Å; V382-A405 HydrophobicContact CG1-CB 4.21Å; V382-A405 WeakPolarHBondContact CG1-O 3.2Å; V382-L408 HydrophobicContact CB-CD2 4.45Å; V382-L408 HydrophobicContact CG1-CB 4.09Å; V382-L408 HydrophobicContact CG1-CD2 3.97Å; V382-L408 HydrophobicContact CG1-CG 4Å; V382-L408 HydrophobicContact CG2-CD2 3.51Å; V382-L408 HydrophobicContact CG2-CG 3.91Å; V382-L409 HydrophobicContact CB-CD2 3.73Å; V382-L409 HydrophobicContact CB-CG 4.18Å; V382-L409 HydrophobicContact CG1-CD1 4.44Å; V382-L409 HydrophobicContact CG1-CD2 3.75Å; V382-L409 HydrophobicContact CG1-CG 3.6Å; V382-I412 HydrophobicContact CB-CD1 4.33Å; V382-I412 HydrophobicContact CG2-CD1 3.83Å
383	S	92.7	Very high	91.6	Very high	54 Å²	54	42.1 Å²	42.1	38%	0.378	22%	0.219	S	C	.	.	H	α-helix	trans	-66.8	-40.6	173.7	-60.6	0	0	0	0	111.7	L379 F380 H381 V385 L386 G387	L379-S383 VanDerWaalsContact O-CB 3.26Å; L379-S383 WeakPolarHBondContact O-CB 3.23Å; L379-S383 PolarHBondContact O-N 3.05Å; L379-S383 PolarHBondContact O-OG 3.44Å; F380-S383 PolarHBondContact O-N 2.91Å; F380-S383 VanDerWaalsContact O-N 3.17Å; H381-S383 VanDerWaalsContact C-N 3.35Å; S383-V385 VanDerWaalsContact C-N 3.35Å; S383-L386 PolarHBondContact O-N 3.36Å; S383-G387 PolarHBondContact O-N 3.46Å
384	E	91.1	Very high	91.1	Very high	67 Å²	67	44.8 Å²	44.8	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-43.1	172.1	-78.3	-68.3	134.4	0	0	112	R266 F380 H381 G387 S388	R266-E384 IonicContact CZ-OE2 3.71Å; R266-E384 IonicContact NH2-OE2 3.64Å; R266-E384 PolarHBondContact NH2-OE2 3.15Å; F380-E384 HydrophobicContact CE1-CG 4.09Å; F380-E384 HydrophobicContact CZ-CG 4.09Å; F380-E384 PolarHBondContact O-N 2.82Å; H381-E384 PolarHBondContact O-N 3.3Å; E384-G387 PolarHBondContact O-N 3.41Å; E384-S388 WeakPolarHBondContact O-CB 3.47Å; E384-S388 PolarHBondContact O-N 2.88Å; E384-S388 PolarHBondContact O-OG 3.43Å
385	V	92.6	Very high	90.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-45.3	174.4	172.7	0	0	0	0	110.7	L267 Q270 I274 H381 V382 S383 G387 S388 L389 A405 L566	L267-V385 HydrophobicContact CD2-CG1 4.01Å; L267-V385 HydrophobicContact CD2-CG2 4.35Å; Q270-V385 HydrophobicContact CB-CG2 3.51Å; Q270-V385 HydrophobicContact CG-CG2 4.03Å; I274-V385 HydrophobicContact CD1-CG2 4.29Å; H381-V385 WeakPolarHBondContact O-CG2 3.25Å; H381-V385 PolarHBondContact O-N 3.38Å; H381-V385 VanDerWaalsContact O-N 3.09Å; V382-V385 PolarHBondContact O-N 3.31Å; S383-V385 VanDerWaalsContact C-N 3.35Å; V385-G387 VanDerWaalsContact C-N 3.33Å; V385-G387 PolarHBondContact O-N 3.01Å; V385-S388 WeakPolarHBondContact O-CB 3.49Å; V385-S388 PolarHBondContact O-N 3.26Å; V385-L389 HydrophobicContact CG1-CD1 3.91Å; V385-L389 HydrophobicContact CG1-CG 4.15Å; V385-L389 VanDerWaalsContact O-CG 3.3Å; V385-L389 WeakPolarHBondContact O-CG 3.4Å; V385-L389 PolarHBondContact O-N 3.28Å; V385-A405 HydrophobicContact CG1-CB 4.28Å; V385-L566 HydrophobicContact CG1-CD1 3.97Å; V385-L566 HydrophobicContact CG1-CD2 4.29Å
386	L	92.8	Very high	89.9	Confident	15 Å²	15	52.1 Å²	52.1	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-44.1	177	176.8	63	0	0	0	111.5	V382 S383 S388 L389 R390 P402 A405 L406 L409	V382-L386 WeakPolarHBondContact O-CB 3.39Å; V382-L386 PolarHBondContact O-N 2.96Å; S383-L386 PolarHBondContact O-N 3.36Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 2.86Å; L386-L389 PolarHBondContact O-N 3.27Å; L386-R390 HydrophobicContact CD1-CG 4.21Å; L386-R390 WeakPolarHBondContact O-CB 3.41Å; L386-R390 WeakPolarHBondContact O-CG 3.32Å; L386-R390 PolarHBondContact O-N 2.92Å; L386-P402 HydrophobicContact CD1-CB 4.06Å; L386-A405 HydrophobicContact CB-CB 3.98Å; L386-A405 HydrophobicContact CD1-CB 4.22Å; L386-L406 HydrophobicContact CD2-CD1 4.41Å; L386-L409 HydrophobicContact CB-CD1 4.2Å; L386-L409 HydrophobicContact CD2-CD1 3.47Å; L386-L409 VanDerWaalsContact CD2-CD1 3.47Å; L386-L409 HydrophobicContact CG-CD1 4.44Å
387	G	90.4	Very high	89.3	Confident	46 Å²	46	51.8 Å²	51.8	47%	0.474	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-42.8	175.6	0	0	0	0	0	111.8	S383 E384 V385 R390	S383-G387 PolarHBondContact O-N 3.46Å; E384-G387 PolarHBondContact O-N 3.41Å; V385-G387 VanDerWaalsContact C-N 3.33Å; V385-G387 PolarHBondContact O-N 3.01Å; G387-R390 PolarHBondContact O-N 3.13Å
388	S	89.8	Confident	88.8	Confident	7 Å²	7	51.1 Å²	51.1	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-48.6	175.1	-55.4	0	0	0	0	111.6	E384 V385 L386 R390 D391 Y395	E384-S388 WeakPolarHBondContact O-CB 3.47Å; E384-S388 PolarHBondContact O-N 2.88Å; E384-S388 PolarHBondContact O-OG 3.43Å; V385-S388 WeakPolarHBondContact O-CB 3.49Å; V385-S388 PolarHBondContact O-N 3.26Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 2.86Å; S388-R390 VanDerWaalsContact C-N 3.27Å; S388-R390 PolarHBondContact O-N 2.98Å; S388-D391 WeakPolarHBondContact O-CB 3.37Å; S388-D391 PolarHBondContact O-N 3.47Å; S388-D391 VanDerWaalsContact O-N 3.13Å; S388-Y395 WeakPolarHBondContact O-CD2 3.47Å; S388-Y395 WeakPolarHBondContact O-CE2 3.24Å; S388-Y395 VanDerWaalsContact O-CG 3.27Å
389	L	90	Very high	88.2	Confident	7 Å²	7	57 Å²	57	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-25	-178.6	-66.4	179.5	0	0	0	113.9	L267 V385 L386 D391 I400 P402 A405 L566	L267-L389 HydrophobicContact CD1-CD2 4.4Å; V385-L389 HydrophobicContact CG1-CD1 3.91Å; V385-L389 HydrophobicContact CG1-CG 4.15Å; V385-L389 VanDerWaalsContact O-CG 3.3Å; V385-L389 WeakPolarHBondContact O-CG 3.4Å; V385-L389 PolarHBondContact O-N 3.28Å; L386-L389 PolarHBondContact O-N 3.27Å; L389-D391 VanDerWaalsContact C-N 3.28Å; L389-I400 HydrophobicContact CD1-CB 4.39Å; L389-I400 HydrophobicContact CD1-CG2 3.67Å; L389-I400 HydrophobicContact CD2-CB 3.77Å; L389-I400 HydrophobicContact CD2-CD1 4.34Å; L389-I400 HydrophobicContact CD2-CG2 3.96Å; L389-I400 HydrophobicContact CG-CG2 4.48Å; L389-P402 HydrophobicContact CB-CB 4.39Å; L389-P402 HydrophobicContact CB-CG 4.24Å; L389-A405 HydrophobicContact CD1-CB 4.03Å; L389-L566 HydrophobicContact CD1-CD1 4.36Å
390	R	89.2	Confident	87.9	Confident	128 Å²	128	55.9 Å²	55.9	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-74.3	-19.2	175.4	-79.1	178.6	169.6	-179.9	-4.1	113.1	L386 G387 S388 T392 P402	L386-R390 HydrophobicContact CD1-CG 4.21Å; L386-R390 WeakPolarHBondContact O-CB 3.41Å; L386-R390 WeakPolarHBondContact O-CG 3.32Å; L386-R390 PolarHBondContact O-N 2.92Å; G387-R390 PolarHBondContact O-N 3.13Å; S388-R390 VanDerWaalsContact C-N 3.27Å; S388-R390 PolarHBondContact O-N 2.98Å; R390-T392 VanDerWaalsContact C-N 3.3Å; R390-T392 PolarHBondContact O-N 3.38Å; R390-P402 HydrophobicContact CG-CB 4.43Å
391	D	87.5	Confident	87.7	Confident	61 Å²	61	56.7 Å²	56.7	33%	0.326	30%	0.295	S	S	.	.			trans	-76.4	86.6	169.3	-173.1	-20.9	0	0	0	109.3	S388 L389 E393 L394 Y395	S388-D391 WeakPolarHBondContact O-CB 3.37Å; S388-D391 PolarHBondContact O-N 3.47Å; S388-D391 VanDerWaalsContact O-N 3.13Å; L389-D391 VanDerWaalsContact C-N 3.28Å; D391-E393 PolarHBondContact O-N 3.42Å; D391-E393 PolarHBondContact OD1-N 2.92Å; D391-L394 PolarHBondContact O-N 3.42Å; D391-L394 PolarHBondContact OD1-N 2.92Å; D391-L394 VanDerWaalsContact OD2-CD1 3.3Å; D391-L394 WeakPolarHBondContact OD2-CD1 3.12Å; D391-Y395 HydrophobicContact CB-CD2 4.12Å; D391-Y395 PolarHBondContact O-N 2.97Å
392	T	81.3	Confident	87.5	Confident	95 Å²	95	59.1 Å²	59.1	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-25.9	-177.4	51.3	0	0	0	0	112.5	R390 H396	R390-T392 VanDerWaalsContact C-N 3.3Å; R390-T392 PolarHBondContact O-N 3.38Å; T392-H396 WeakPolarHBondContact O-CB 3.29Å; T392-H396 PolarHBondContact O-N 3.39Å
393	E	83.1	Confident	87.2	Confident	179 Å²	179	61.9 Å²	61.9	84%	0.836	33%	0.33	S	S	*	.	H	α-helix	trans	-68.8	-40.7	179.8	-63.3	-173.7	176.8	0	0	111.2	D391	D391-E393 PolarHBondContact O-N 3.42Å; D391-E393 PolarHBondContact OD1-N 2.92Å
394	L	82.1	Confident	87.1	Confident	77 Å²	77	60.2 Å²	60.2	40%	0.403	32%	0.318	S	S	.	.	H	α-helix	trans	-92.1	-30.7	-175.4	-63.1	-176.3	0	0	0	114.3	Q263 D391	Q263-L394 HydrophobicContact CG-CB 4.47Å; D391-L394 PolarHBondContact O-N 3.42Å; D391-L394 PolarHBondContact OD1-N 2.92Å; D391-L394 VanDerWaalsContact OD2-CD1 3.3Å; D391-L394 WeakPolarHBondContact OD2-CD1 3.12Å
395	Y	84.6	Confident	87.2	Confident	12 Å²	12	57 Å²	57	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-113.5	-7.8	-168.1	-69.3	-96.5	0	0	0	115	Q263 L267 S388 D391 E397 L398	Q263-Y395 HydrophobicContact CB-CD1 4.19Å; Q263-Y395 HydrophobicContact CB-CE1 3.6Å; Q263-Y395 HydrophobicContact CG-CD1 4.46Å; Q263-Y395 HydrophobicContact CG-CE1 3.92Å; Q263-Y395 HydrophobicContact CG-CE2 4.07Å; L267-Y395 HydrophobicContact CD1-CD1 3.85Å; L267-Y395 HydrophobicContact CD1-CE1 3.95Å; L267-Y395 HydrophobicContact CD2-CE1 4.24Å; L267-Y395 HydrophobicContact CG-CD1 4.27Å; L267-Y395 HydrophobicContact CG-CE1 3.87Å; S388-Y395 WeakPolarHBondContact O-CD2 3.47Å; S388-Y395 WeakPolarHBondContact O-CE2 3.24Å; S388-Y395 VanDerWaalsContact O-CG 3.27Å; D391-Y395 HydrophobicContact CB-CD2 4.12Å; D391-Y395 PolarHBondContact O-N 2.97Å; Y395-E397 VanDerWaalsContact C-N 3.32Å; Y395-E397 PolarHBondContact O-N 3.35Å; Y395-L398 HydrophobicContact CD1-CD1 3.72Å; Y395-L398 HydrophobicContact CE1-CD1 4.37Å; Y395-L398 WeakPolarHBondContact O-CB 3.24Å; Y395-L398 PolarHBondContact O-N 2.76Å
396	H	81.5	Confident	87.1	Confident	142 Å²	142	57.6 Å²	57.6	66%	0.657	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-57.7	-40.2	-176.9	172.7	-88.4	0	0	0	113.4	T392 L398 Q399	T392-H396 WeakPolarHBondContact O-CB 3.29Å; T392-H396 PolarHBondContact O-N 3.39Å; H396-L398 PolarHBondContact O-N 2.91Å; H396-L398 VanDerWaalsContact O-N 3.14Å; H396-Q399 PolarHBondContact O-N 2.77Å; H396-Q399 VanDerWaalsContact O-N 3.13Å
397	E	80.7	Confident	87	Confident	90 Å²	90	59.7 Å²	59.7	42%	0.421	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14.2	180	-71.9	-177	-142.8	0	0	113.7	K259 F260 Y395 Q399	K259-E397 IonicContact NZ-OE1 3.91Å; K259-E397 PolarHBondContact NZ-OE1 3.07Å; K259-E397 IonicContact NZ-OE2 3.81Å; K259-E397 PolarHBondContact NZ-OE2 2.72Å; F260-E397 HydrophobicContact CE1-CB 4.43Å; F260-E397 HydrophobicContact CE2-CB 3.97Å; F260-E397 HydrophobicContact CE2-CG 4.46Å; F260-E397 WeakPolarHBondContact CE2-OE2 3.37Å; F260-E397 HydrophobicContact CZ-CB 3.75Å; F260-E397 HydrophobicContact CZ-CG 3.99Å; F260-E397 WeakPolarHBondContact CZ-OE2 3.3Å; Y395-E397 VanDerWaalsContact C-N 3.32Å; Y395-E397 PolarHBondContact O-N 3.35Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 2.73Å
398	L	83.2	Confident	87.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-80.4	-8.9	176.5	-54.4	-174.8	0	0	0	113.3	F260 Q263 L264 L267 Y395 H396 I400 R577	F260-L398 HydrophobicContact CB-CD2 4.35Å; F260-L398 HydrophobicContact CG-CD2 4.49Å; Q263-L398 HydrophobicContact CB-CD1 4.37Å; L264-L398 HydrophobicContact CD2-CD1 4.3Å; L264-L398 HydrophobicContact CD2-CD2 3.71Å; L264-L398 HydrophobicContact CG-CD2 4.19Å; L267-L398 HydrophobicContact CD1-CD1 3.53Å; Y395-L398 HydrophobicContact CD1-CD1 3.72Å; Y395-L398 HydrophobicContact CE1-CD1 4.37Å; Y395-L398 WeakPolarHBondContact O-CB 3.24Å; Y395-L398 PolarHBondContact O-N 2.76Å; H396-L398 PolarHBondContact O-N 2.91Å; H396-L398 VanDerWaalsContact O-N 3.14Å; L398-I400 VanDerWaalsContact C-N 3.27Å; L398-I400 PolarHBondContact O-N 3.48Å; L398-R577 HydrophobicContact CB-CB 4.36Å; L398-R577 HydrophobicContact CD2-CB 4.18Å; L398-R577 WeakPolarHBondContact CD2-O 3.46Å; L398-R577 WeakPolarHBondContact O-CG 3.44Å
399	Q	84.1	Confident	87.4	Confident	125 Å²	125	57.4 Å²	57.4	58%	0.584	29%	0.294	S	S	*	.			trans	58.4	30.5	174.4	-55.5	178.1	2	0	0	114.8	H396 E397	H396-Q399 PolarHBondContact O-N 2.77Å; H396-Q399 VanDerWaalsContact O-N 3.13Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 2.73Å
400	I	87.9	Confident	87.4	Confident	16 Å²	16	59.4 Å²	59.4	8%	0.082	30%	0.301	C	S	.	.			trans	-103.6	109.2	174.5	-53.4	168.4	0	0	0	108.1	F197 L267 L389 L398 L566 R577	F197-I400 HydrophobicContact CE2-CD1 4.21Å; F197-I400 HydrophobicContact CZ-CD1 3.81Å; L267-I400 HydrophobicContact CD1-CD1 3.95Å; L389-I400 HydrophobicContact CD1-CB 4.39Å; L389-I400 HydrophobicContact CD1-CG2 3.67Å; L389-I400 HydrophobicContact CD2-CB 3.77Å; L389-I400 HydrophobicContact CD2-CD1 4.34Å; L389-I400 HydrophobicContact CD2-CG2 3.96Å; L389-I400 HydrophobicContact CG-CG2 4.48Å; L398-I400 VanDerWaalsContact C-N 3.27Å; L398-I400 PolarHBondContact O-N 3.48Å; I400-L566 HydrophobicContact CG2-CD1 4.14Å; I400-R577 VanDerWaalsContact CD1-NH1 3.33Å
401	P	88.4	Confident	87.5	Confident	66 Å²	66	53.4 Å²	53.4	43%	0.429	28%	0.278	S	S	.	.			trans	-70.4	137.8	-178.6	26.7	-31.8	0	0	0	110.3	S403 T404	P401-S403 PolarHBondContact O-N 2.99Å; P401-T404 HydrophobicContact CG-CG2 3.88Å; P401-T404 PolarHBondContact O-N 2.96Å; P401-T404 PolarHBondContact O-OG1 3.36Å
402	P	89.9	Confident	87.9	Confident	50 Å²	50	50.7 Å²	50.7	33%	0.325	26%	0.263	S	S	.	.	H	α-helix	trans	-55.9	-24	179.1	-27	34.1	0	0	0	114.2	L386 L389 R390 T404 A405 L406	L386-P402 HydrophobicContact CD1-CB 4.06Å; L389-P402 HydrophobicContact CB-CB 4.39Å; L389-P402 HydrophobicContact CB-CG 4.24Å; R390-P402 HydrophobicContact CG-CB 4.43Å; P402-T404 PolarHBondContact O-N 3.02Å; P402-A405 PolarHBondContact O-N 3.29Å; P402-L406 PolarHBondContact O-N 3.22Å; P402-L406 VanDerWaalsContact O-N 3.08Å
403	S	88.9	Confident	88.4	Confident	58 Å²	58	46.3 Å²	46.3	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-29.9	175.6	58.4	0	0	0	0	113.4	P401 L406 N407	P401-S403 PolarHBondContact O-N 2.99Å; S403-L406 PolarHBondContact O-N 2.79Å; S403-N407 WeakPolarHBondContact O-CB 3.34Å; S403-N407 PolarHBondContact O-N 3.01Å; S403-N407 PolarHBondContact O-ND2 3.32Å
404	T	90.7	Very high	88.7	Confident	20 Å²	20	38.3 Å²	38.3	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-49.1	176.9	53.9	0	0	0	0	111.8	P401 P402 L406 N407 L408	P401-T404 HydrophobicContact CG-CG2 3.88Å; P401-T404 PolarHBondContact O-N 2.96Å; P401-T404 PolarHBondContact O-OG1 3.36Å; P402-T404 PolarHBondContact O-N 3.02Å; T404-L406 VanDerWaalsContact C-N 3.33Å; T404-L406 PolarHBondContact O-N 2.68Å; T404-N407 PolarHBondContact O-N 2.65Å; T404-L408 PolarHBondContact O-N 3.44Å
405	A	92.1	Very high	89.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-38.5	174.6	0	0	0	0	0	111.5	V382 V385 L386 L389 P402 L408 L409 L566	V382-A405 HydrophobicContact CG1-CB 4.21Å; V382-A405 WeakPolarHBondContact CG1-O 3.2Å; V385-A405 HydrophobicContact CG1-CB 4.28Å; L386-A405 HydrophobicContact CB-CB 3.98Å; L386-A405 HydrophobicContact CD1-CB 4.22Å; L389-A405 HydrophobicContact CD1-CB 4.03Å; P402-A405 PolarHBondContact O-N 3.29Å; A405-L408 PolarHBondContact O-N 3.04Å; A405-L409 WeakPolarHBondContact O-CG 3.35Å; A405-L409 PolarHBondContact O-N 3.13Å; A405-L566 HydrophobicContact CB-CD1 4.46Å
406	L	91.7	Very high	89.7	Confident	15 Å²	15	35.8 Å²	35.8	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-42.4	177.3	-173.2	65	0	0	0	112.8	L386 P402 S403 T404 L408 L409 R410 L542	L386-L406 HydrophobicContact CD2-CD1 4.41Å; P402-L406 PolarHBondContact O-N 3.22Å; P402-L406 VanDerWaalsContact O-N 3.08Å; S403-L406 PolarHBondContact O-N 2.79Å; T404-L406 VanDerWaalsContact C-N 3.33Å; T404-L406 PolarHBondContact O-N 2.68Å; L406-L408 VanDerWaalsContact C-N 3.31Å; L406-L408 PolarHBondContact O-N 2.77Å; L406-L409 PolarHBondContact O-N 2.67Å; L406-R410 WeakPolarHBondContact O-CG 3.49Å; L406-R410 PolarHBondContact O-N 3.27Å; L406-L542 HydrophobicContact CD1-CD1 3.77Å
407	N	90.7	Very high	90	Very high	59 Å²	59	31.8 Å²	31.8	32%	0.316	17%	0.169	S	C	.	.	H	α-helix	trans	-65.5	-36.1	177	-72	-17.6	0	0	0	112	S403 T404 T411	S403-N407 WeakPolarHBondContact O-CB 3.34Å; S403-N407 PolarHBondContact O-N 3.01Å; S403-N407 PolarHBondContact O-ND2 3.32Å; T404-N407 PolarHBondContact O-N 2.65Å; N407-T411 PolarHBondContact O-N 3.08Å; N407-T411 PolarHBondContact O-OG1 2.99Å
408	L	94.2	Very high	90.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-45.1	172.5	-179	54.1	0	0	0	111.5	V382 T404 A405 L406 R410 T411 I412 M559 E562 I563 L566	V382-L408 HydrophobicContact CB-CD2 4.45Å; V382-L408 HydrophobicContact CG1-CB 4.09Å; V382-L408 HydrophobicContact CG1-CD2 3.97Å; V382-L408 HydrophobicContact CG1-CG 4Å; V382-L408 HydrophobicContact CG2-CD2 3.51Å; V382-L408 HydrophobicContact CG2-CG 3.91Å; T404-L408 PolarHBondContact O-N 3.44Å; A405-L408 PolarHBondContact O-N 3.04Å; L406-L408 VanDerWaalsContact C-N 3.31Å; L406-L408 PolarHBondContact O-N 2.77Å; L408-R410 PolarHBondContact O-N 3.29Å; L408-T411 PolarHBondContact O-N 3.13Å; L408-T411 VanDerWaalsContact O-N 3.15Å; L408-I412 HydrophobicContact CD1-CD1 4.1Å; L408-I412 HydrophobicContact CD1-CG1 4.25Å; L408-I412 HydrophobicContact CG-CD1 3.95Å; L408-I412 WeakPolarHBondContact O-CG1 3.5Å; L408-I412 PolarHBondContact O-N 3.29Å; L408-M559 HydrophobicContact CD1-CG 3.89Å; L408-E562 HydrophobicContact CB-CB 4.02Å; L408-E562 HydrophobicContact CD1-CB 3.94Å; L408-I563 HydrophobicContact CD1-CD1 4.48Å; L408-I563 HydrophobicContact CD1-CG1 3.76Å; L408-I563 HydrophobicContact CD2-CG1 3.8Å; L408-I563 HydrophobicContact CG-CG1 4.47Å; L408-L566 HydrophobicContact CD2-CD2 4.04Å
409	L	93.3	Very high	90.9	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-57.5	-46.8	174.4	-73.2	170.5	0	0	0	111.9	L379 V382 L386 A405 L406 T411 I412 G413	L379-L409 HydrophobicContact CD1-CD2 3.52Å; L379-L409 HydrophobicContact CG-CD2 4.34Å; V382-L409 HydrophobicContact CB-CD2 3.73Å; V382-L409 HydrophobicContact CB-CG 4.18Å; V382-L409 HydrophobicContact CG1-CD1 4.44Å; V382-L409 HydrophobicContact CG1-CD2 3.75Å; V382-L409 HydrophobicContact CG1-CG 3.6Å; L386-L409 HydrophobicContact CB-CD1 4.2Å; L386-L409 HydrophobicContact CD2-CD1 3.47Å; L386-L409 VanDerWaalsContact CD2-CD1 3.47Å; L386-L409 HydrophobicContact CG-CD1 4.44Å; A405-L409 WeakPolarHBondContact O-CG 3.35Å; A405-L409 PolarHBondContact O-N 3.13Å; L406-L409 PolarHBondContact O-N 2.67Å; L409-T411 VanDerWaalsContact C-N 3.3Å; L409-T411 PolarHBondContact O-N 3.46Å; L409-I412 PolarHBondContact O-N 3.3Å; L409-G413 PolarHBondContact O-N 2.87Å
410	R	90.3	Very high	91.1	Very high	49 Å²	49	26.1 Å²	26.1	19%	0.185	14%	0.143	C	C	.	.	H	α-helix	trans	-53.3	-50	174	-80.9	166.5	169.8	162.9	-2.4	110.5	L406 L408 I412 G413 M414 P539 L542	L406-R410 WeakPolarHBondContact O-CG 3.49Å; L406-R410 PolarHBondContact O-N 3.27Å; L408-R410 PolarHBondContact O-N 3.29Å; R410-I412 PolarHBondContact O-N 2.85Å; R410-G413 PolarHBondContact O-N 3.28Å; R410-M414 HydrophobicContact CB-CE 4.43Å; R410-M414 VanDerWaalsContact O-CG 3.24Å; R410-M414 WeakPolarHBondContact O-CG 3.25Å; R410-M414 PolarHBondContact O-N 2.92Å; R410-P539 VanDerWaalsContact NH2-CD 3.31Å; R410-P539 PolarHBondContact NH2-O 3.17Å; R410-L542 WeakPolarHBondContact CG-O 3.39Å
411	T	92.4	Very high	91.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-40.6	-179.8	-58.3	0	0	0	0	112.7	N407 L408 L409 M414 T415 K558 M559	N407-T411 PolarHBondContact O-N 3.08Å; N407-T411 PolarHBondContact O-OG1 2.99Å; L408-T411 PolarHBondContact O-N 3.13Å; L408-T411 VanDerWaalsContact O-N 3.15Å; L409-T411 VanDerWaalsContact C-N 3.3Å; L409-T411 PolarHBondContact O-N 3.46Å; T411-M414 PolarHBondContact O-N 3.31Å; T411-T415 WeakPolarHBondContact O-CB 3.3Å; T411-T415 PolarHBondContact O-N 3.28Å; T411-T415 PolarHBondContact O-OG1 2.84Å; T411-K558 HydrophobicContact CG2-CB 4.09Å; T411-K558 HydrophobicContact CG2-CD 4.08Å; T411-K558 HydrophobicContact CG2-CG 3.82Å; T411-K558 WeakPolarHBondContact OG1-CE 3.47Å; T411-M559 HydrophobicContact CG2-CB 3.95Å
412	I	94.7	Very high	91.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-46.7	175	-68.1	161.2	0	0	0	110.5	L375 L378 L379 V382 L408 L409 R410 T415 L416 M559	L375-I412 HydrophobicContact CB-CG2 4.38Å; L375-I412 HydrophobicContact CD2-CG2 4.25Å; L375-I412 WeakPolarHBondContact O-CG2 3.3Å; L378-I412 HydrophobicContact CB-CD1 3.81Å; L378-I412 HydrophobicContact CB-CG1 4.35Å; L379-I412 HydrophobicContact CB-CG2 4.11Å; L379-I412 HydrophobicContact CD1-CG2 4.18Å; V382-I412 HydrophobicContact CB-CD1 4.33Å; V382-I412 HydrophobicContact CG2-CD1 3.83Å; L408-I412 HydrophobicContact CD1-CD1 4.1Å; L408-I412 HydrophobicContact CD1-CG1 4.25Å; L408-I412 HydrophobicContact CG-CD1 3.95Å; L408-I412 WeakPolarHBondContact O-CG1 3.5Å; L408-I412 PolarHBondContact O-N 3.29Å; L409-I412 PolarHBondContact O-N 3.3Å; R410-I412 PolarHBondContact O-N 2.85Å; I412-T415 WeakPolarHBondContact O-CB 3.41Å; I412-T415 PolarHBondContact O-N 2.83Å; I412-L416 PolarHBondContact O-N 3.45Å; I412-M559 HydrophobicContact CG1-CE 3.92Å
413	G	91.8	Very high	91.3	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-67.3	-37.4	178.8	0	0	0	0	0	113.8	L409 R410 T415 L416 Q417 Y543	L409-G413 PolarHBondContact O-N 2.87Å; R410-G413 PolarHBondContact O-N 3.28Å; G413-T415 VanDerWaalsContact C-N 3.3Å; G413-T415 PolarHBondContact O-N 3.47Å; G413-L416 PolarHBondContact O-N 2.91Å; G413-Q417 WeakPolarHBondContact O-CG 3.22Å; G413-Q417 PolarHBondContact O-N 3.35Å; G413-Y543 VanDerWaalsContact CA-CD1 3.44Å
414	M	89.8	Confident	91.3	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.059	11%	0.112	C	C	.	.	H	α-helix	trans	-57.8	-44.6	169.7	-71.3	-169	-79.5	0	0	111.6	R410 T411 L416 Q417 K418 H544 L554 K558	R410-M414 HydrophobicContact CB-CE 4.43Å; R410-M414 VanDerWaalsContact O-CG 3.24Å; R410-M414 WeakPolarHBondContact O-CG 3.25Å; R410-M414 PolarHBondContact O-N 2.92Å; T411-M414 PolarHBondContact O-N 3.31Å; M414-L416 VanDerWaalsContact C-N 3.32Å; M414-L416 PolarHBondContact O-N 3.18Å; M414-Q417 PolarHBondContact O-N 2.97Å; M414-K418 WeakPolarHBondContact O-CB 3.21Å; M414-K418 PolarHBondContact O-N 3.45Å; M414-H544 WeakPolarHBondContact CG-O 3.42Å; M414-H544 HydrophobicContact SD-CB 4.43Å; M414-L554 HydrophobicContact CB-CD1 4.39Å; M414-L554 HydrophobicContact CB-CD2 4.29Å; M414-K558 HydrophobicContact CE-CD 4.33Å; M414-K558 VanDerWaalsContact CE-NZ 3.34Å
415	T	93.9	Very high	91.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.3	-39.3	178.4	-51.9	0	0	0	0	111.2	L375 T411 I412 G413 K418 T419 L551 I555 M559	L375-T415 HydrophobicContact CD1-CG2 3.88Å; L375-T415 HydrophobicContact CD2-CG2 3.77Å; L375-T415 HydrophobicContact CG-CG2 4.48Å; T411-T415 WeakPolarHBondContact O-CB 3.3Å; T411-T415 PolarHBondContact O-N 3.28Å; T411-T415 PolarHBondContact O-OG1 2.84Å; I412-T415 WeakPolarHBondContact O-CB 3.41Å; I412-T415 PolarHBondContact O-N 2.83Å; G413-T415 VanDerWaalsContact C-N 3.3Å; G413-T415 PolarHBondContact O-N 3.47Å; T415-K418 PolarHBondContact O-N 3.36Å; T415-T419 WeakPolarHBondContact O-CB 2.78Å; T415-T419 PolarHBondContact O-N 3.44Å; T415-T419 PolarHBondContact O-OG1 3.43Å; T415-L551 HydrophobicContact CG2-CD1 3.61Å; T415-I555 HydrophobicContact CG2-CD1 3.91Å; T415-I555 HydrophobicContact CG2-CG1 3.46Å; T415-I555 VanDerWaalsContact CG2-CG1 3.46Å; T415-M559 HydrophobicContact CG2-CE 4.25Å; T415-M559 WeakPolarHBondContact OG1-CE 3.48Å
416	L	93	Very high	91	Very high	36 Å²	36	21.7 Å²	21.7	19%	0.188	11%	0.106	C	C	.	.	H	α-helix	trans	-64.1	-46.7	177.4	-174	66.3	0	0	0	111.4	Q372 L375 I412 G413 M414 K418 T419 Q420	Q372-L416 HydrophobicContact CB-CD1 4.21Å; Q372-L416 HydrophobicContact CG-CD1 3.84Å; L375-L416 HydrophobicContact CB-CD1 4.29Å; L375-L416 HydrophobicContact CD1-CB 4.25Å; L375-L416 HydrophobicContact CD1-CD1 4.12Å; I412-L416 PolarHBondContact O-N 3.45Å; G413-L416 PolarHBondContact O-N 2.91Å; M414-L416 VanDerWaalsContact C-N 3.32Å; M414-L416 PolarHBondContact O-N 3.18Å; L416-K418 PolarHBondContact O-N 3.09Å; L416-T419 PolarHBondContact O-N 2.75Å; L416-Q420 WeakPolarHBondContact O-CG 3.34Å; L416-Q420 PolarHBondContact O-N 2.93Å
417	Q	88.2	Confident	90.8	Very high	58 Å²	58	24.9 Å²	24.9	27%	0.271	12%	0.12	S	C	.	.	H	α-helix	trans	-59.6	-45	174.4	-71	177.6	0.2	0	0	111.4	G413 M414 T419 Q420 E421	G413-Q417 WeakPolarHBondContact O-CG 3.22Å; G413-Q417 PolarHBondContact O-N 3.35Å; M414-Q417 PolarHBondContact O-N 2.97Å; Q417-T419 VanDerWaalsContact C-N 3.32Å; Q417-T419 PolarHBondContact O-N 3.02Å; Q417-Q420 PolarHBondContact O-N 2.89Å; Q417-E421 PolarHBondContact O-N 3.15Å
418	K	89.9	Confident	90.6	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-33.6	178.7	-159.2	74.2	-169.7	168.8	0	112.8	M414 T415 L416 E421 L422 Y495 S547 T549 L551 L554	M414-K418 WeakPolarHBondContact O-CB 3.21Å; M414-K418 PolarHBondContact O-N 3.45Å; T415-K418 PolarHBondContact O-N 3.36Å; L416-K418 PolarHBondContact O-N 3.09Å; K418-E421 WeakPolarHBondContact CD-OE2 3.45Å; K418-E421 WeakPolarHBondContact CE-OE2 3.3Å; K418-E421 VanDerWaalsContact NZ-CD 3.33Å; K418-E421 IonicContact NZ-OE1 3.48Å; K418-E421 PolarHBondContact NZ-OE1 3.4Å; K418-E421 IonicContact NZ-OE2 2.85Å; K418-E421 PolarHBondContact NZ-OE2 2.81Å; K418-E421 WeakPolarHBondContact O-CB 3.49Å; K418-E421 PolarHBondContact O-N 3.45Å; K418-L422 PolarHBondContact O-N 3.45Å; K418-Y495 HydrophobicContact CD-CD1 4.36Å; K418-Y495 HydrophobicContact CD-CE1 4.25Å; K418-Y495 VanDerWaalsContact CE-CD1 3.47Å; K418-Y495 HydrophobicContact CG-CD1 4.24Å; K418-S547 PolarHBondContact NZ-O 3.37Å; K418-T549 WeakPolarHBondContact CE-O 3.29Å; K418-L551 HydrophobicContact CB-CD1 4.17Å; K418-L551 HydrophobicContact CG-CB 4.33Å; K418-L551 HydrophobicContact CG-CD1 4.41Å; K418-L554 HydrophobicContact CB-CD1 3.94Å; K418-L554 HydrophobicContact CG-CD1 4.22Å
419	T	92.6	Very high	90.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-41	173.2	-56.6	0	0	0	0	111.4	C367 I371 Q372 T415 L416 Q417 L422 Q423	C367-T419 HydrophobicContact CB-CG2 4.01Å; I371-T419 HydrophobicContact CB-CG2 4.29Å; I371-T419 HydrophobicContact CG2-CG2 3.76Å; Q372-T419 HydrophobicContact CG-CG2 4.12Å; T415-T419 WeakPolarHBondContact O-CB 2.78Å; T415-T419 PolarHBondContact O-N 3.44Å; T415-T419 PolarHBondContact O-OG1 3.43Å; L416-T419 PolarHBondContact O-N 2.75Å; Q417-T419 VanDerWaalsContact C-N 3.32Å; Q417-T419 PolarHBondContact O-N 3.02Å; T419-L422 PolarHBondContact O-N 2.84Å; T419-Q423 WeakPolarHBondContact O-CG 3.37Å; T419-Q423 PolarHBondContact O-N 3.31Å; T419-Q423 VanDerWaalsContact O-N 3.1Å
420	Q	89.7	Confident	90	Very high	93 Å²	93	25.8 Å²	25.8	44%	0.435	12%	0.122	S	C	.	.	H	α-helix	trans	-66.9	-40.6	174.5	-70.2	175.3	-12.5	0	0	111.7	L416 Q417 L422 Q423 L424	L416-Q420 WeakPolarHBondContact O-CG 3.34Å; L416-Q420 PolarHBondContact O-N 2.93Å; Q417-Q420 PolarHBondContact O-N 2.89Å; Q420-L422 VanDerWaalsContact C-N 3.32Å; Q420-L422 PolarHBondContact O-N 3.15Å; Q420-Q423 WeakPolarHBondContact O-CB 3.42Å; Q420-Q423 PolarHBondContact O-N 2.94Å; Q420-L424 PolarHBondContact O-N 3.09Å; Q420-L424 VanDerWaalsContact O-N 3.11Å
421	E	87.9	Confident	90	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-47.1	173.4	-169	-170.3	150.1	0	0	111.2	Q417 K418 Q423 L424 V425 Y495 L505 Y545	Q417-E421 PolarHBondContact O-N 3.15Å; K418-E421 WeakPolarHBondContact CD-OE2 3.45Å; K418-E421 WeakPolarHBondContact CE-OE2 3.3Å; K418-E421 VanDerWaalsContact NZ-CD 3.33Å; K418-E421 IonicContact NZ-OE1 3.48Å; K418-E421 PolarHBondContact NZ-OE1 3.4Å; K418-E421 IonicContact NZ-OE2 2.85Å; K418-E421 PolarHBondContact NZ-OE2 2.81Å; K418-E421 WeakPolarHBondContact O-CB 3.49Å; K418-E421 PolarHBondContact O-N 3.45Å; E421-Q423 VanDerWaalsContact C-N 3.33Å; E421-Q423 PolarHBondContact O-N 3.21Å; E421-L424 PolarHBondContact O-N 3.4Å; E421-V425 WeakPolarHBondContact O-CG2 3.39Å; E421-V425 PolarHBondContact O-N 3.36Å; E421-Y495 HydrophobicContact CB-CE1 4.37Å; E421-Y495 HydrophobicContact CG-CE1 4.02Å; E421-Y495 WeakPolarHBondContact OE1-CE1 3.46Å; E421-Y495 PolarHBondContact OE1-OH 3.31Å; E421-L505 HydrophobicContact CG-CB 3.52Å; E421-L505 HydrophobicContact CG-CD2 4.23Å; E421-L505 HydrophobicContact CG-CG 4.5Å; E421-L505 PolarHBondContact OE1-N 2.89Å; E421-L505 VanDerWaalsContact OE1-N 3.09Å; E421-Y545 PolarHBondContact OE1-OH 3.33Å; E421-Y545 VanDerWaalsContact OE2-CE2 3.24Å; E421-Y545 WeakPolarHBondContact OE2-CE2 3.09Å; E421-Y545 PolarHBondContact OE2-OH 2.97Å
422	L	90.8	Very high	89.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-41.4	176.7	175.3	59.1	0	0	0	112.1	K418 T419 Q420 L424 V425 I426 V492 Y495 L551	K418-L422 PolarHBondContact O-N 3.45Å; T419-L422 PolarHBondContact O-N 2.84Å; Q420-L422 VanDerWaalsContact C-N 3.32Å; Q420-L422 PolarHBondContact O-N 3.15Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 3.34Å; L422-V425 PolarHBondContact O-N 3Å; L422-I426 HydrophobicContact CD1-CD1 3.96Å; L422-I426 HydrophobicContact CD1-CG1 4.14Å; L422-I426 HydrophobicContact CG-CD1 3.86Å; L422-I426 HydrophobicContact CG-CG1 4.5Å; L422-I426 WeakPolarHBondContact O-CB 3.44Å; L422-I426 VanDerWaalsContact O-CG1 3.3Å; L422-I426 WeakPolarHBondContact O-CG1 3.06Å; L422-I426 PolarHBondContact O-N 2.9Å; L422-V492 HydrophobicContact CD1-CB 4.43Å; L422-V492 HydrophobicContact CD1-CG1 4.12Å; L422-V492 HydrophobicContact CD1-CG2 4.2Å; L422-Y495 HydrophobicContact CB-CD1 4.16Å; L422-Y495 HydrophobicContact CB-CG 4.42Å; L422-Y495 HydrophobicContact CD1-CD2 4.01Å; L422-Y495 HydrophobicContact CD1-CG 3.95Å; L422-L551 HydrophobicContact CD2-CD2 3.93Å
423	Q	90.6	Very high	89.6	Confident	25 Å²	25	27 Å²	27	12%	0.117	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-43.2	175.8	-74.5	174.1	-9.7	0	0	112.2	C367 Q372 T419 Q420 E421 I426 E427	C367-Q423 VanDerWaalsContact C-NE2 3.33Å; C367-Q423 HydrophobicContact CB-CG 3.91Å; Q372-Q423 VanDerWaalsContact NE2-NE2 3.18Å; Q372-Q423 VanDerWaalsContact NE2-OE1 3.09Å; T419-Q423 WeakPolarHBondContact O-CG 3.37Å; T419-Q423 PolarHBondContact O-N 3.31Å; T419-Q423 VanDerWaalsContact O-N 3.1Å; Q420-Q423 WeakPolarHBondContact O-CB 3.42Å; Q420-Q423 PolarHBondContact O-N 2.94Å; E421-Q423 VanDerWaalsContact C-N 3.33Å; E421-Q423 PolarHBondContact O-N 3.21Å; Q423-I426 WeakPolarHBondContact O-CB 3.41Å; Q423-I426 PolarHBondContact O-N 2.63Å; Q423-E427 WeakPolarHBondContact O-CG 3.44Å; Q423-E427 PolarHBondContact O-N 2.75Å
424	L	88.3	Confident	89.6	Confident	83 Å²	83	32.7 Å²	32.7	44%	0.435	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-39.3	177.9	-66.5	171.8	0	0	0	111.9	Q420 E421 L422 I426 E427 K428 L505	Q420-L424 PolarHBondContact O-N 3.09Å; Q420-L424 VanDerWaalsContact O-N 3.11Å; E421-L424 PolarHBondContact O-N 3.4Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 3.34Å; L424-I426 VanDerWaalsContact C-N 3.33Å; L424-E427 PolarHBondContact O-N 2.99Å; L424-K428 PolarHBondContact O-N 3.11Å; L424-K428 VanDerWaalsContact O-N 3.08Å; L424-L505 HydrophobicContact CB-CD1 4.07Å; L424-L505 HydrophobicContact CB-CD2 3.87Å; L424-L505 HydrophobicContact CD1-CD2 3.48Å; L424-L505 VanDerWaalsContact CD1-CD2 3.48Å; L424-L505 HydrophobicContact CG-CD2 4.32Å
425	V	88	Confident	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-41.3	173.6	171	0	0	0	0	111.3	E421 L422 K428 S429 L491 Y495 L505	E421-V425 WeakPolarHBondContact O-CG2 3.39Å; E421-V425 PolarHBondContact O-N 3.36Å; L422-V425 PolarHBondContact O-N 3Å; V425-K428 PolarHBondContact O-N 2.81Å; V425-S429 WeakPolarHBondContact O-CB 3.41Å; V425-S429 PolarHBondContact O-N 3.23Å; V425-S429 PolarHBondContact O-OG 3.49Å; V425-L491 HydrophobicContact CG1-CB 3.57Å; V425-L491 HydrophobicContact CG1-CD1 4.31Å; V425-Y495 HydrophobicContact CB-CE2 4.5Å; V425-Y495 HydrophobicContact CG1-CE2 4.29Å; V425-Y495 HydrophobicContact CG2-CE2 4.15Å; V425-Y495 WeakPolarHBondContact CG2-OH 3.05Å; V425-L505 HydrophobicContact CG2-CB 4.41Å; V425-L505 HydrophobicContact CG2-CD1 4.06Å
426	I	89.1	Confident	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-48.5	174.8	-74.8	163.6	0	0	0	110.3	Y360 I363 K364 L422 Q423 L424 K428 S429 L430 V492	Y360-I426 HydrophobicContact CD1-CB 4.27Å; Y360-I426 HydrophobicContact CD1-CG1 4.08Å; Y360-I426 HydrophobicContact CD1-CG2 3.73Å; Y360-I426 HydrophobicContact CE1-CG1 4.29Å; I363-I426 HydrophobicContact CB-CD1 4.4Å; I363-I426 HydrophobicContact CG2-CD1 3.56Å; K364-I426 HydrophobicContact CB-CG2 4.13Å; L422-I426 HydrophobicContact CD1-CD1 3.96Å; L422-I426 HydrophobicContact CD1-CG1 4.14Å; L422-I426 HydrophobicContact CG-CD1 3.86Å; L422-I426 HydrophobicContact CG-CG1 4.5Å; L422-I426 WeakPolarHBondContact O-CB 3.44Å; L422-I426 VanDerWaalsContact O-CG1 3.3Å; L422-I426 WeakPolarHBondContact O-CG1 3.06Å; L422-I426 PolarHBondContact O-N 2.9Å; Q423-I426 WeakPolarHBondContact O-CB 3.41Å; Q423-I426 PolarHBondContact O-N 2.63Å; L424-I426 VanDerWaalsContact C-N 3.33Å; I426-K428 VanDerWaalsContact C-N 3.33Å; I426-K428 PolarHBondContact O-N 2.88Å; I426-S429 PolarHBondContact O-N 3.2Å; I426-L430 WeakPolarHBondContact O-CB 3.5Å; I426-L430 PolarHBondContact O-N 3.44Å; I426-V492 HydrophobicContact CG1-CG2 3.8Å
427	E	87.9	Confident	89.6	Confident	82 Å²	82	31.3 Å²	31.3	38%	0.383	15%	0.148	S	C	.	.	H	α-helix	trans	-58.5	-43.4	179.5	-74.5	-179.2	166.9	0	0	112.8	K364 Q423 L424 T431	K364-E427 HydrophobicContact CD-CG 4.43Å; K364-E427 WeakPolarHBondContact CE-OE1 3.46Å; K364-E427 IonicContact NZ-OE1 2.64Å; K364-E427 PolarHBondContact NZ-OE1 2.74Å; Q423-E427 WeakPolarHBondContact O-CG 3.44Å; Q423-E427 PolarHBondContact O-N 2.75Å; L424-E427 PolarHBondContact O-N 2.99Å; E427-T431 PolarHBondContact O-N 2.83Å; E427-T431 VanDerWaalsContact O-N 3.14Å; E427-T431 PolarHBondContact O-OG1 3.39Å
428	K	85.4	Confident	89.8	Confident	74 Å²	74	31.5 Å²	31.5	32%	0.322	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-48.4	175	-169.1	-171.6	177.7	-169.9	0	111.6	L424 V425 I426 L430 T431 Q432 V508	L424-K428 PolarHBondContact O-N 3.11Å; L424-K428 VanDerWaalsContact O-N 3.08Å; V425-K428 PolarHBondContact O-N 2.81Å; I426-K428 VanDerWaalsContact C-N 3.33Å; I426-K428 PolarHBondContact O-N 2.88Å; K428-L430 VanDerWaalsContact C-N 3.29Å; K428-L430 PolarHBondContact O-N 3.33Å; K428-T431 PolarHBondContact O-N 2.94Å; K428-Q432 PolarHBondContact O-N 3.42Å; K428-Q432 VanDerWaalsContact O-N 3.11Å; K428-V508 HydrophobicContact CD-CG1 3.27Å; K428-V508 PolarHBondContact NZ-O 2.93Å
429	S	87.4	Confident	90	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-40.1	-179	-56.5	0	0	0	0	111.3	V425 I426 T431 Q432 L433	V425-S429 WeakPolarHBondContact O-CB 3.41Å; V425-S429 PolarHBondContact O-N 3.23Å; V425-S429 PolarHBondContact O-OG 3.49Å; I426-S429 PolarHBondContact O-N 3.2Å; S429-T431 PolarHBondContact O-N 2.9Å; S429-Q432 PolarHBondContact O-N 3.18Å; S429-L433 WeakPolarHBondContact O-CB 3.28Å; S429-L433 VanDerWaalsContact O-CG 3.29Å; S429-L433 WeakPolarHBondContact O-CG 3.45Å; S429-L433 PolarHBondContact O-N 3.36Å
430	L	89.2	Confident	90	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-40.5	179.2	-155.1	165	0	0	0	111.2	L357 E361 I426 K428 L433 R434	L357-L430 HydrophobicContact CD2-CD2 3.93Å; L357-L430 HydrophobicContact CD2-CG 4.16Å; E361-L430 HydrophobicContact CG-CD1 4.03Å; E361-L430 WeakPolarHBondContact OE1-CD1 3.49Å; I426-L430 WeakPolarHBondContact O-CB 3.5Å; I426-L430 PolarHBondContact O-N 3.44Å; K428-L430 VanDerWaalsContact C-N 3.29Å; K428-L430 PolarHBondContact O-N 3.33Å; L430-L433 PolarHBondContact O-N 3.32Å; L430-R434 HydrophobicContact CD2-CG 3.98Å; L430-R434 VanDerWaalsContact CD2-NH1 3.3Å; L430-R434 WeakPolarHBondContact O-CB 3.33Å; L430-R434 WeakPolarHBondContact O-CG 3.24Å; L430-R434 PolarHBondContact O-N 3.43Å
431	T	89	Confident	90	Very high	69 Å²	69	31.6 Å²	31.6	42%	0.423	15%	0.145	S	C	.	.	H	α-helix	trans	-64.1	-42.8	176.9	-54.9	0	0	0	0	111.5	E427 K428 S429 A435 L466	E427-T431 PolarHBondContact O-N 2.83Å; E427-T431 VanDerWaalsContact O-N 3.14Å; E427-T431 PolarHBondContact O-OG1 3.39Å; K428-T431 PolarHBondContact O-N 2.94Å; S429-T431 PolarHBondContact O-N 2.9Å; T431-A435 PolarHBondContact O-N 3.1Å; T431-L466 HydrophobicContact CG2-CD1 3.79Å; T431-L466 HydrophobicContact CG2-CD2 4.45Å
432	Q	88.9	Confident	90.1	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.028	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-46.9	174.6	-74.8	178.9	-25.3	0	0	112.6	K428 S429 R434 A435 F436 L466 F470	K428-Q432 PolarHBondContact O-N 3.42Å; K428-Q432 VanDerWaalsContact O-N 3.11Å; S429-Q432 PolarHBondContact O-N 3.18Å; Q432-R434 PolarHBondContact O-N 3.25Å; Q432-A435 PolarHBondContact O-N 3.16Å; Q432-F436 WeakPolarHBondContact O-CB 3.36Å; Q432-F436 PolarHBondContact O-N 2.98Å; Q432-L466 HydrophobicContact CG-CD2 4.33Å; Q432-F470 HydrophobicContact CB-CB 4.15Å; Q432-F470 HydrophobicContact CB-CD2 4.15Å
433	L	90.1	Very high	90	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-39.6	-179.9	-76	168.8	0	0	0	112.4	M299 T356 L357 Y360 S429 L430 A435 F436 F437 F470	M299-L433 HydrophobicContact CE-CD2 4.02Å; T356-L433 HydrophobicContact CG2-CD1 4.18Å; L357-L433 HydrophobicContact CD2-CB 4.36Å; Y360-L433 HydrophobicContact CD2-CD1 3.99Å; Y360-L433 HydrophobicContact CE2-CD1 3.38Å; S429-L433 WeakPolarHBondContact O-CB 3.28Å; S429-L433 VanDerWaalsContact O-CG 3.29Å; S429-L433 WeakPolarHBondContact O-CG 3.45Å; S429-L433 PolarHBondContact O-N 3.36Å; L430-L433 PolarHBondContact O-N 3.32Å; L433-A435 VanDerWaalsContact C-N 3.34Å; L433-A435 PolarHBondContact O-N 2.94Å; L433-F436 PolarHBondContact O-N 3.46Å; L433-F437 HydrophobicContact CB-CD2 4.36Å; L433-F437 HydrophobicContact CB-CE2 4.27Å; L433-F437 HydrophobicContact CD2-CE2 4.15Å; L433-F437 WeakPolarHBondContact O-CD2 3.5Å; L433-F437 PolarHBondContact O-N 3.04Å; L433-F470 HydrophobicContact CD2-CD2 4.4Å; L433-F470 HydrophobicContact CD2-CE2 3.57Å; L433-F470 HydrophobicContact CD2-CZ 3.69Å; L433-F470 HydrophobicContact CG-CE2 4.18Å
434	R	91.9	Very high	90	Very high	122 Å²	122	30.8 Å²	30.8	46%	0.46	14%	0.144	S	C	.	.	H	α-helix	trans	-57.8	-47.4	174.4	-80.3	179.2	179.3	143.3	5.4	111.2	L357 E361 L430 Q432 K438	L357-R434 HydrophobicContact CD1-CG 3.87Å; L357-R434 HydrophobicContact CD2-CG 3.6Å; L357-R434 HydrophobicContact CG-CG 4.4Å; E361-R434 IonicContact OE1-CZ 3.97Å; E361-R434 IonicContact OE1-NH2 2.84Å; E361-R434 PolarHBondContact OE1-NH2 2.78Å; L430-R434 HydrophobicContact CD2-CG 3.98Å; L430-R434 VanDerWaalsContact CD2-NH1 3.3Å; L430-R434 WeakPolarHBondContact O-CB 3.33Å; L430-R434 WeakPolarHBondContact O-CG 3.24Å; L430-R434 PolarHBondContact O-N 3.43Å; Q432-R434 PolarHBondContact O-N 3.25Å; R434-K438 VanDerWaalsContact O-CB 3.3Å; R434-K438 WeakPolarHBondContact O-CB 3.46Å; R434-K438 PolarHBondContact O-N 2.99Å; R434-K438 VanDerWaalsContact O-N 3.08Å
435	A	92.4	Very high	89.9	Confident	3 Å²	3	27.4 Å²	27.4	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-43.3	177.3	0	0	0	0	0	111.4	T431 Q432 L433 K438 W439 E463 L466 V467	T431-A435 PolarHBondContact O-N 3.1Å; Q432-A435 PolarHBondContact O-N 3.16Å; L433-A435 VanDerWaalsContact C-N 3.34Å; L433-A435 PolarHBondContact O-N 2.94Å; A435-K438 PolarHBondContact O-N 3.48Å; A435-W439 WeakPolarHBondContact O-CB 3.2Å; A435-W439 PolarHBondContact O-N 3.38Å; A435-E463 HydrophobicContact CB-CB 4.12Å; A435-L466 HydrophobicContact CB-CB 3.9Å; A435-L466 HydrophobicContact CB-CD1 4.3Å; A435-V467 VanDerWaalsContact C-CG2 3.43Å; A435-V467 HydrophobicContact CB-CG2 3.82Å; A435-V467 WeakPolarHBondContact O-CG2 3.5Å
436	F	93	Very high	89.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-50.2	178.8	176.7	-100.6	0	0	0	112.5	F303 Q432 L433 K438 W439 L440 V467 F470 I471	F303-F436 HydrophobicContact CZ-CE1 4.14Å; F303-F436 AromaticContact CZ-CZ 3.81Å; F303-F436 HydrophobicContact CZ-CZ 3.81Å; Q432-F436 WeakPolarHBondContact O-CB 3.36Å; Q432-F436 PolarHBondContact O-N 2.98Å; L433-F436 PolarHBondContact O-N 3.46Å; F436-K438 PolarHBondContact O-N 3.08Å; F436-W439 HydrophobicContact CD2-CE3 4.1Å; F436-W439 HydrophobicContact CD2-CZ3 4.26Å; F436-W439 HydrophobicContact CE2-CE3 4.11Å; F436-W439 AromaticContact CE2-CZ3 3.86Å; F436-W439 HydrophobicContact CE2-CZ3 3.86Å; F436-W439 PolarHBondContact O-N 3.18Å; F436-L440 HydrophobicContact CE1-CD2 3.88Å; F436-L440 HydrophobicContact CZ-CD2 3.76Å; F436-L440 WeakPolarHBondContact O-CB 3.26Å; F436-L440 PolarHBondContact O-N 3.35Å; F436-V467 HydrophobicContact CD2-CG1 4.18Å; F436-F470 HydrophobicContact CB-CD1 4Å; F436-F470 HydrophobicContact CB-CE1 4.32Å; F436-F470 HydrophobicContact CB-CG 4.43Å; F436-F470 HydrophobicContact CD1-CD1 4.38Å; F436-F470 AromaticContact CD1-CE1 3.91Å; F436-F470 HydrophobicContact CD1-CE1 3.91Å; F436-F470 AromaticContact CD2-CD1 3.45Å; F436-F470 HydrophobicContact CD2-CD1 3.45Å; F436-F470 VanDerWaalsContact CD2-CD1 3.45Å; F436-F470 AromaticContact CD2-CE1 3.66Å; F436-F470 HydrophobicContact CD2-CE1 3.66Å; F436-F470 HydrophobicContact CE1-CE1 4.13Å; F436-F470 HydrophobicContact CE2-CD1 4.01Å; F436-F470 AromaticContact CE2-CE1 3.89Å; F436-F470 HydrophobicContact CE2-CE1 3.89Å; F436-F470 AromaticContact CG-CD1 3.67Å; F436-F470 HydrophobicContact CG-CD1 3.67Å; F436-F470 AromaticContact CG-CE1 3.67Å; F436-F470 HydrophobicContact CG-CE1 3.67Å; F436-F470 HydrophobicContact CZ-CE1 4.13Å; F436-I471 HydrophobicContact CE2-CG1 4.38Å
437	F	91.8	Very high	89.7	Confident	16 Å²	16	34.1 Å²	34.1	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-38.3	178.4	-75.1	-58.8	0	0	0	112.4	M299 L349 T356 L433 Y441	M299-F437 HydrophobicContact CE-CE1 4.33Å; M299-F437 HydrophobicContact CE-CZ 3.79Å; M299-F437 HydrophobicContact SD-CE2 4.5Å; M299-F437 HydrophobicContact SD-CZ 3.69Å; L349-F437 HydrophobicContact CD1-CD1 3.75Å; L349-F437 HydrophobicContact CD1-CE1 3.82Å; L349-F437 HydrophobicContact CG-CD1 4.22Å; T356-F437 HydrophobicContact CG2-CE2 4.07Å; T356-F437 HydrophobicContact CG2-CZ 4.35Å; L433-F437 HydrophobicContact CB-CD2 4.36Å; L433-F437 HydrophobicContact CB-CE2 4.27Å; L433-F437 HydrophobicContact CD2-CE2 4.15Å; L433-F437 WeakPolarHBondContact O-CD2 3.5Å; L433-F437 PolarHBondContact O-N 3.04Å; F437-Y441 WeakPolarHBondContact O-CB 3.41Å; F437-Y441 PolarHBondContact O-N 2.95Å
438	K	91.8	Very high	89.6	Confident	62 Å²	62	32.5 Å²	32.5	27%	0.27	16%	0.155	S	C	.	.	H	α-helix	trans	-60.8	-46.6	175.3	-176.1	-175.2	-179.2	-169.6	0	111.2	R434 A435 F436 G442 P457 R458 V459 E463	R434-K438 VanDerWaalsContact O-CB 3.3Å; R434-K438 WeakPolarHBondContact O-CB 3.46Å; R434-K438 PolarHBondContact O-N 2.99Å; R434-K438 VanDerWaalsContact O-N 3.08Å; A435-K438 PolarHBondContact O-N 3.48Å; F436-K438 PolarHBondContact O-N 3.08Å; K438-G442 PolarHBondContact O-N 3.27Å; K438-P457 WeakPolarHBondContact CE-O 3.43Å; K438-R458 VanDerWaalsContact CE-O 3.28Å; K438-R458 WeakPolarHBondContact CE-O 3.3Å; K438-R458 PolarHBondContact NZ-O 3.1Å; K438-V459 HydrophobicContact CD-CG2 4.46Å; K438-V459 HydrophobicContact CG-CG2 4.28Å; K438-E463 IonicContact NZ-OE1 2.82Å; K438-E463 PolarHBondContact NZ-OE1 2.8Å; K438-E463 IonicContact NZ-OE2 2.71Å; K438-E463 PolarHBondContact NZ-OE2 2.86Å
439	W	93.9	Very high	89.2	Confident	29 Å²	29	32.1 Å²	32.1	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-56.6	175.7	171.3	61.9	0	0	0	111.9	L323 F326 I327 A435 F436 Y441 G442 A443 V459 V467 I471	L323-W439 HydrophobicContact CB-CH2 4.47Å; L323-W439 HydrophobicContact CD2-CH2 4.18Å; F326-W439 HydrophobicContact CB-CZ2 4.42Å; F326-W439 AromaticContact CD1-CH2 3.88Å; F326-W439 HydrophobicContact CD1-CH2 3.88Å; F326-W439 AromaticContact CD1-CZ2 3.6Å; F326-W439 HydrophobicContact CD1-CZ2 3.6Å; F326-W439 HydrophobicContact CE1-CZ2 4.15Å; F326-W439 HydrophobicContact CG-CZ2 4.14Å; I327-W439 HydrophobicContact CB-CH2 4.37Å; I327-W439 HydrophobicContact CB-CZ2 3.66Å; I327-W439 HydrophobicContact CD1-CD2 4.14Å; I327-W439 HydrophobicContact CD1-CG 4.29Å; I327-W439 HydrophobicContact CD1-CZ2 4.43Å; I327-W439 HydrophobicContact CG1-CZ2 4.22Å; A435-W439 WeakPolarHBondContact O-CB 3.2Å; A435-W439 PolarHBondContact O-N 3.38Å; F436-W439 HydrophobicContact CD2-CE3 4.1Å; F436-W439 HydrophobicContact CD2-CZ3 4.26Å; F436-W439 HydrophobicContact CE2-CE3 4.11Å; F436-W439 AromaticContact CE2-CZ3 3.86Å; F436-W439 HydrophobicContact CE2-CZ3 3.86Å; F436-W439 PolarHBondContact O-N 3.18Å; W439-Y441 VanDerWaalsContact C-N 3.28Å; W439-Y441 PolarHBondContact O-N 3.12Å; W439-G442 PolarHBondContact O-N 3.13Å; W439-G442 VanDerWaalsContact O-N 3.14Å; W439-A443 WeakPolarHBondContact O-CB 3.43Å; W439-A443 PolarHBondContact O-N 3.34Å; W439-V459 VanDerWaalsContact CA-CG2 3.42Å; W439-V459 HydrophobicContact CB-CG2 3.59Å; W439-V459 HydrophobicContact CG-CG2 4.39Å; W439-V467 HydrophobicContact CB-CG1 4.47Å; W439-V467 HydrophobicContact CB-CG2 3.99Å; W439-V467 HydrophobicContact CD2-CG1 3.95Å; W439-V467 HydrophobicContact CE3-CG1 3.65Å; W439-V467 HydrophobicContact CG-CG1 4.31Å; W439-V467 HydrophobicContact CZ3-CG1 4.19Å; W439-I471 HydrophobicContact CH2-CD1 4.26Å; W439-I471 HydrophobicContact CZ3-CD1 4.06Å
440	L	92.1	Very high	88.7	Confident	2 Å²	2	40 Å²	40	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-36.6	-172.8	-168.8	64.7	0	0	0	111.5	L340 W344 L349 F436 A443 I444	L340-L440 HydrophobicContact CD1-CD1 4.27Å; L340-L440 HydrophobicContact CD2-CD1 3.69Å; L340-L440 HydrophobicContact CD2-CG 4.33Å; W344-L440 HydrophobicContact CE3-CD2 4.47Å; W344-L440 HydrophobicContact CZ3-CD2 4.16Å; L349-L440 HydrophobicContact CD1-CD2 3.81Å; L349-L440 HydrophobicContact CD2-CB 3.84Å; L349-L440 HydrophobicContact CD2-CD2 3.89Å; L349-L440 HydrophobicContact CD2-CG 3.73Å; F436-L440 HydrophobicContact CE1-CD2 3.88Å; F436-L440 HydrophobicContact CZ-CD2 3.76Å; F436-L440 WeakPolarHBondContact O-CB 3.26Å; F436-L440 PolarHBondContact O-N 3.35Å; L440-A443 PolarHBondContact O-N 2.91Å; L440-I444 HydrophobicContact CG-CD1 4.3Å; L440-I444 VanDerWaalsContact O-CG1 3.23Å; L440-I444 WeakPolarHBondContact O-CG1 3.46Å; L440-I444 PolarHBondContact O-N 3.31Å
441	Y	91.2	Very high	87.9	Confident	67 Å²	67	46.5 Å²	46.5	26%	0.263	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-45.7	174.6	-178.7	-98.5	0	0	0	112.4	A346 K350 F437 W439 A443 I444 L445 F456	A346-Y441 HydrophobicContact CB-CD2 4.24Å; A346-Y441 HydrophobicContact CB-CE2 3.92Å; A346-Y441 WeakPolarHBondContact O-CE2 3.16Å; K350-Y441 HydrophobicContact CB-CD2 4.33Å; K350-Y441 HydrophobicContact CB-CE2 4.09Å; K350-Y441 HydrophobicContact CD-CE2 4.37Å; F437-Y441 WeakPolarHBondContact O-CB 3.41Å; F437-Y441 PolarHBondContact O-N 2.95Å; W439-Y441 VanDerWaalsContact C-N 3.28Å; W439-Y441 PolarHBondContact O-N 3.12Å; Y441-A443 VanDerWaalsContact C-N 3.33Å; Y441-I444 PolarHBondContact O-N 3.46Å; Y441-L445 HydrophobicContact CD1-CD1 4.01Å; Y441-L445 HydrophobicContact CE1-CD1 3.48Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.48Å; Y441-L445 HydrophobicContact CE1-CG 4.43Å; Y441-L445 WeakPolarHBondContact O-CG 3.48Å; Y441-L445 PolarHBondContact O-N 3.42Å; Y441-F456 AromaticContact CD1-CZ 3.85Å; Y441-F456 HydrophobicContact CD1-CZ 3.85Å; Y441-F456 HydrophobicContact CE1-CE2 4.13Å; Y441-F456 AromaticContact CE1-CZ 3.83Å; Y441-F456 HydrophobicContact CE1-CZ 3.83Å
442	G	89.1	Confident	87.2	Confident	8 Å²	8	44.1 Å²	44.1	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-43.1	173.9	0	0	0	0	0	112.1	K438 W439 I444 L445 E446	K438-G442 PolarHBondContact O-N 3.27Å; W439-G442 PolarHBondContact O-N 3.13Å; W439-G442 VanDerWaalsContact O-N 3.14Å; G442-I444 PolarHBondContact O-N 2.96Å; G442-L445 PolarHBondContact O-N 2.87Å; G442-E446 PolarHBondContact O-N 2.93Å
443	A	89.2	Confident	86.6	Confident	5 Å²	5	48 Å²	48	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-41.7	179.8	0	0	0	0	0	112.9	F326 W439 L440 Y441 L445 E446 Q447	F326-A443 HydrophobicContact CE1-CB 3.64Å; F326-A443 HydrophobicContact CZ-CB 3.66Å; W439-A443 WeakPolarHBondContact O-CB 3.43Å; W439-A443 PolarHBondContact O-N 3.34Å; L440-A443 PolarHBondContact O-N 2.91Å; Y441-A443 VanDerWaalsContact C-N 3.33Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 3.3Å; A443-E446 PolarHBondContact O-N 2.88Å; A443-Q447 WeakPolarHBondContact O-CG 3.46Å; A443-Q447 PolarHBondContact O-N 2.61Å
444	I	89.6	Confident	85.6	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-43.1	174.5	-68.3	164.5	0	0	0	110.8	L340 A346 L349 L440 Y441 G442 E446 Q447 S448	L340-I444 HydrophobicContact CB-CG1 3.96Å; L340-I444 HydrophobicContact CD2-CD1 4.46Å; L340-I444 HydrophobicContact CD2-CG1 4.23Å; L340-I444 HydrophobicContact CG-CG1 4.5Å; L340-I444 WeakPolarHBondContact O-CG2 3.48Å; A346-I444 HydrophobicContact CB-CG2 3.86Å; L349-I444 HydrophobicContact CB-CD1 4.16Å; L349-I444 HydrophobicContact CD2-CD1 3.45Å; L349-I444 VanDerWaalsContact CD2-CD1 3.45Å; L349-I444 HydrophobicContact CG-CD1 4.37Å; L440-I444 HydrophobicContact CG-CD1 4.3Å; L440-I444 VanDerWaalsContact O-CG1 3.23Å; L440-I444 WeakPolarHBondContact O-CG1 3.46Å; L440-I444 PolarHBondContact O-N 3.31Å; Y441-I444 PolarHBondContact O-N 3.46Å; G442-I444 PolarHBondContact O-N 2.96Å; I444-E446 PolarHBondContact O-N 3.24Å; I444-Q447 PolarHBondContact O-N 3.18Å; I444-S448 WeakPolarHBondContact O-CB 3.32Å; I444-S448 PolarHBondContact O-N 3.02Å; I444-S448 PolarHBondContact O-OG 3.35Å
445	L	87.8	Confident	84.9	Confident	11 Å²	11	57 Å²	57	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-42.6	-179.7	-69.6	175.4	0	0	0	111.6	A346 Y441 G442 A443 S448 R450 L452 F456	A346-L445 HydrophobicContact CB-CD2 4.11Å; Y441-L445 HydrophobicContact CD1-CD1 4.01Å; Y441-L445 HydrophobicContact CE1-CD1 3.48Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.48Å; Y441-L445 HydrophobicContact CE1-CG 4.43Å; Y441-L445 WeakPolarHBondContact O-CG 3.48Å; Y441-L445 PolarHBondContact O-N 3.42Å; G442-L445 PolarHBondContact O-N 2.87Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 3.3Å; L445-S448 WeakPolarHBondContact CA-OG 3.22Å; L445-S448 PolarHBondContact O-N 2.99Å; L445-S448 PolarHBondContact O-OG 2.91Å; L445-R450 PolarHBondContact O-N 2.98Å; L445-L452 HydrophobicContact CB-CD2 3.67Å; L445-L452 HydrophobicContact CB-CG 4.44Å; L445-L452 HydrophobicContact CD1-CD2 3.58Å; L445-L452 HydrophobicContact CG-CD2 4.26Å; L445-F456 HydrophobicContact CD1-CE2 3.84Å; L445-F456 HydrophobicContact CD1-CZ 3.77Å
446	E	86.1	Confident	84.2	Confident	99 Å²	99	58.7 Å²	58.7	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-45	175.2	-70	178	176.6	0	0	112	G442 A443 I444 S448 G449 L452	G442-E446 PolarHBondContact O-N 2.93Å; A443-E446 PolarHBondContact O-N 2.88Å; I444-E446 PolarHBondContact O-N 3.24Å; E446-S448 VanDerWaalsContact C-N 3.26Å; E446-S448 PolarHBondContact O-N 3.1Å; E446-G449 PolarHBondContact O-N 3.36Å; E446-G449 VanDerWaalsContact O-N 3.16Å; E446-L452 HydrophobicContact CG-CD1 3.67Å; E446-L452 HydrophobicContact CG-CG 4.42Å
447	Q	86.7	Confident	83.4	Confident	43 Å²	43	62.7 Å²	62.7	20%	0.201	34%	0.342	C	S	.	.	H	α-helix	trans	-69	-23.3	178.1	-66.2	-54.8	-56.5	0	0	113.4	F326 C332 R337 V341 A443 I444 G449	F326-Q447 HydrophobicContact CZ-CG 4.03Å; C332-Q447 HydrophobicContact CB-CG 4.4Å; R337-Q447 HydrophobicContact CG-CB 4.36Å; R337-Q447 VanDerWaalsContact NH2-OE1 3.16Å; V341-Q447 HydrophobicContact CG2-CB 4.09Å; A443-Q447 WeakPolarHBondContact O-CG 3.46Å; A443-Q447 PolarHBondContact O-N 2.61Å; I444-Q447 PolarHBondContact O-N 3.18Å; Q447-G449 PolarHBondContact O-N 3.14Å
448	S	84.1	Confident	82.9	Confident	47 Å²	47	69.5 Å²	69.5	33%	0.329	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.1	174.2	73.8	0	0	0	0	114.1	I444 L445 E446 R450	I444-S448 WeakPolarHBondContact O-CB 3.32Å; I444-S448 PolarHBondContact O-N 3.02Å; I444-S448 PolarHBondContact O-OG 3.35Å; L445-S448 WeakPolarHBondContact CA-OG 3.22Å; L445-S448 PolarHBondContact O-N 2.99Å; L445-S448 PolarHBondContact O-OG 2.91Å; E446-S448 VanDerWaalsContact C-N 3.26Å; E446-S448 PolarHBondContact O-N 3.1Å; S448-R450 VanDerWaalsContact C-N 3.29Å; S448-R450 PolarHBondContact O-N 3.44Å; S448-R450 WeakPolarHBondContact OG-CG 3.23Å
449	G	77.7	Confident	82.7	Confident	67 Å²	67	68.5 Å²	68.5	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	12.6	-178.7	0	0	0	0	0	114.3	E446 Q447	E446-G449 PolarHBondContact O-N 3.36Å; E446-G449 VanDerWaalsContact O-N 3.16Å; Q447-G449 PolarHBondContact O-N 3.14Å
450	R	76.4	Confident	82.5	Confident	170 Å²	170	71.1 Å²	71.1	64%	0.642	38%	0.382	S	S	*	.			trans	-79.7	129.5	176.1	-69.5	-179.5	179.2	-162.3	0.8	110	L445 S448 L452	L445-R450 PolarHBondContact O-N 2.98Å; S448-R450 VanDerWaalsContact C-N 3.29Å; S448-R450 PolarHBondContact O-N 3.44Å; S448-R450 WeakPolarHBondContact OG-CG 3.23Å; R450-L452 PolarHBondContact O-N 3.17Å
451	V	72.6	Confident	82.4	Confident	143 Å²	143	77.6 Å²	77.6	87%	0.867	42%	0.416	S	S	*	.			trans	-72.6	112.8	172.1	-176.4	0	0	0	0	108.6
452	L	75.5	Confident	82.4	Confident	19 Å²	19	77.3 Å²	77.3	10%	0.099	43%	0.427	C	S	.	.			trans	-72	135.2	173.9	-67.5	178.2	0	0	0	109.8	L445 E446 R450 F456	L445-L452 HydrophobicContact CB-CD2 3.67Å; L445-L452 HydrophobicContact CB-CG 4.44Å; L445-L452 HydrophobicContact CD1-CD2 3.58Å; L445-L452 HydrophobicContact CG-CD2 4.26Å; E446-L452 HydrophobicContact CG-CD1 3.67Å; E446-L452 HydrophobicContact CG-CG 4.42Å; R450-L452 PolarHBondContact O-N 3.17Å; L452-F456 HydrophobicContact CB-CB 4.12Å; L452-F456 HydrophobicContact CB-CG 4.25Å; L452-F456 HydrophobicContact CD1-CD1 3.88Å; L452-F456 HydrophobicContact CD1-CE1 4.13Å; L452-F456 HydrophobicContact CD1-CG 4.23Å; L452-F456 HydrophobicContact CD2-CD1 4.24Å; L452-F456 HydrophobicContact CD2-CD2 3.77Å; L452-F456 HydrophobicContact CD2-CE1 4.27Å; L452-F456 HydrophobicContact CD2-CE2 3.8Å; L452-F456 HydrophobicContact CD2-CG 3.98Å; L452-F456 HydrophobicContact CD2-CZ 4.04Å; L452-F456 HydrophobicContact CG-CG 4.4Å
453	P	74.8	Confident	82.6	Confident	87 Å²	87	78.9 Å²	78.9	57%	0.565	43%	0.433	S	S	*	.			trans	-54.1	148.3	170	-24.4	33.7	0	0	0	111.4	D455 F456	P453-D455 PolarHBondContact O-N 2.78Å; P453-D455 VanDerWaalsContact O-N 3.14Å; P453-F456 WeakPolarHBondContact O-CB 3.31Å; P453-F456 PolarHBondContact O-N 3.35Å
454	N	70.2	Confident	82.7	Confident	158 Å²	158	83 Å²	83	85%	0.845	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.3	179	-72	-18.7	0	0	0	112.5	F456	N454-F456 VanDerWaalsContact C-N 3.26Å; N454-F456 PolarHBondContact O-N 3.16Å
455	D	76.1	Confident	82.9	Confident	157 Å²	157	88.8 Å²	88.8	84%	0.84	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	11.5	179.1	-54.5	-31.1	0	0	0	113.3	P453	P453-D455 PolarHBondContact O-N 2.78Å; P453-D455 VanDerWaalsContact O-N 3.14Å
456	F	78.9	Confident	83.1	Confident	39 Å²	39	90.7 Å²	90.7	17%	0.171	48%	0.484	C	S	.	.			trans	-63.5	130	179	-171	-93	0	0	0	110.2	Y441 L445 L452 P453 N454 R458	Y441-F456 AromaticContact CD1-CZ 3.85Å; Y441-F456 HydrophobicContact CD1-CZ 3.85Å; Y441-F456 HydrophobicContact CE1-CE2 4.13Å; Y441-F456 AromaticContact CE1-CZ 3.83Å; Y441-F456 HydrophobicContact CE1-CZ 3.83Å; L445-F456 HydrophobicContact CD1-CE2 3.84Å; L445-F456 HydrophobicContact CD1-CZ 3.77Å; L452-F456 HydrophobicContact CB-CB 4.12Å; L452-F456 HydrophobicContact CB-CG 4.25Å; L452-F456 HydrophobicContact CD1-CD1 3.88Å; L452-F456 HydrophobicContact CD1-CE1 4.13Å; L452-F456 HydrophobicContact CD1-CG 4.23Å; L452-F456 HydrophobicContact CD2-CD1 4.24Å; L452-F456 HydrophobicContact CD2-CD2 3.77Å; L452-F456 HydrophobicContact CD2-CE1 4.27Å; L452-F456 HydrophobicContact CD2-CE2 3.8Å; L452-F456 HydrophobicContact CD2-CG 3.98Å; L452-F456 HydrophobicContact CD2-CZ 4.04Å; L452-F456 HydrophobicContact CG-CG 4.4Å; P453-F456 WeakPolarHBondContact O-CB 3.31Å; P453-F456 PolarHBondContact O-N 3.35Å; N454-F456 VanDerWaalsContact C-N 3.26Å; N454-F456 PolarHBondContact O-N 3.16Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-R458 HydrophobicContact CD1-CG 4.46Å; F456-R458 PolarHBondContact O-N 3.02Å
457	P	76.5	Confident	83.4	Confident	83 Å²	83	86 Å²	86	54%	0.539	46%	0.462	S	S	.	.			trans	-71.7	89.5	-173.6	29.1	-34.8	0	0	0	110.4	K438	K438-P457 WeakPolarHBondContact CE-O 3.43Å
458	R	81.7	Confident	83.7	Confident	160 Å²	160	85.9 Å²	85.9	60%	0.604	46%	0.462	S	S	*	.			trans	-73.9	159.4	174.7	-66.5	-178.3	-176.8	-177.4	0.9	111	K438 F456 N460	K438-R458 VanDerWaalsContact CE-O 3.28Å; K438-R458 WeakPolarHBondContact CE-O 3.3Å; K438-R458 PolarHBondContact NZ-O 3.1Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-R458 HydrophobicContact CD1-CG 4.46Å; F456-R458 PolarHBondContact O-N 3.02Å; R458-N460 PolarHBondContact O-N 2.82Å
459	V	86.8	Confident	83.9	Confident	40 Å²	40	87 Å²	87	24%	0.242	47%	0.465	C	S	.	.			trans	-70.3	124.4	176.6	-178.4	0	0	0	0	108.1	K438 W439 E463 R464	K438-V459 HydrophobicContact CD-CG2 4.46Å; K438-V459 HydrophobicContact CG-CG2 4.28Å; W439-V459 VanDerWaalsContact CA-CG2 3.42Å; W439-V459 HydrophobicContact CB-CG2 3.59Å; W439-V459 HydrophobicContact CG-CG2 4.39Å; V459-E463 VanDerWaalsContact CA-OE2 3.26Å; V459-E463 WeakPolarHBondContact CA-OE2 3.29Å; V459-E463 HydrophobicContact CB-CB 4.46Å; V459-E463 HydrophobicContact CG1-CB 3.42Å; V459-E463 VanDerWaalsContact CG1-CB 3.42Å; V459-R464 HydrophobicContact CG1-CB 4.19Å
460	N	89.8	Confident	84.5	Confident	85 Å²	85	84 Å²	84	46%	0.455	43%	0.432	S	S	.	.			trans	-78.9	174.9	174.8	70	37	0	0	0	111.3	R458 A462 E463 R464	R458-N460 PolarHBondContact O-N 2.82Å; N460-A462 VanDerWaalsContact C-N 3.34Å; N460-A462 PolarHBondContact O-N 3.1Å; N460-A462 PolarHBondContact OD1-N 2.79Å; N460-A462 VanDerWaalsContact OD1-N 3.11Å; N460-E463 PolarHBondContact N-OE2 2.75Å; N460-E463 PolarHBondContact O-N 2.76Å; N460-E463 WeakPolarHBondContact OD1-CB 3.16Å; N460-E463 WeakPolarHBondContact OD1-CG 3.44Å; N460-E463 PolarHBondContact OD1-N 3.35Å; N460-R464 WeakPolarHBondContact O-CB 3.4Å; N460-R464 PolarHBondContact O-N 3.48Å
461	L	89.9	Confident	85.2	Confident	138 Å²	138	75.9 Å²	75.9	72%	0.723	40%	0.402	S	S	*	.	H	α-helix	trans	-59.3	-41.5	-177.2	-69.9	173.3	0	0	0	112.9	R464 E465	L461-R464 WeakPolarHBondContact O-CB 3.49Å; L461-R464 PolarHBondContact O-N 3.39Å; L461-E465 PolarHBondContact O-N 3.35Å; L461-E465 VanDerWaalsContact O-N 3.17Å
462	A	91.5	Very high	85.9	Confident	60 Å²	60	71.6 Å²	71.6	50%	0.496	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-40.8	178.2	0	0	0	0	0	112.1	N460 R464 E465 L466	N460-A462 VanDerWaalsContact C-N 3.34Å; N460-A462 PolarHBondContact O-N 3.1Å; N460-A462 PolarHBondContact OD1-N 2.79Å; N460-A462 VanDerWaalsContact OD1-N 3.11Å; A462-R464 VanDerWaalsContact C-N 3.28Å; A462-R464 PolarHBondContact O-N 3.48Å; A462-E465 PolarHBondContact O-N 3.33Å; A462-L466 WeakPolarHBondContact O-CG 3.29Å; A462-L466 PolarHBondContact O-N 2.93Å; A462-L466 VanDerWaalsContact O-N 3.12Å
463	E	92.4	Very high	86.2	Confident	42 Å²	42	74.1 Å²	74.1	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-34.8	174.1	-67.7	172	141.5	0	0	110.9	A435 K438 V459 N460 E465 L466 V467	A435-E463 HydrophobicContact CB-CB 4.12Å; K438-E463 IonicContact NZ-OE1 2.82Å; K438-E463 PolarHBondContact NZ-OE1 2.8Å; K438-E463 IonicContact NZ-OE2 2.71Å; K438-E463 PolarHBondContact NZ-OE2 2.86Å; V459-E463 VanDerWaalsContact CA-OE2 3.26Å; V459-E463 WeakPolarHBondContact CA-OE2 3.29Å; V459-E463 HydrophobicContact CB-CB 4.46Å; V459-E463 HydrophobicContact CG1-CB 3.42Å; V459-E463 VanDerWaalsContact CG1-CB 3.42Å; N460-E463 PolarHBondContact N-OE2 2.75Å; N460-E463 PolarHBondContact O-N 2.76Å; N460-E463 WeakPolarHBondContact OD1-CB 3.16Å; N460-E463 WeakPolarHBondContact OD1-CG 3.44Å; N460-E463 PolarHBondContact OD1-N 3.35Å; E463-E465 PolarHBondContact O-N 3.27Å; E463-L466 WeakPolarHBondContact O-CB 3.45Å; E463-L466 PolarHBondContact O-N 3.46Å; E463-V467 WeakPolarHBondContact O-CG2 3.25Å; E463-V467 PolarHBondContact O-N 3.23Å
464	R	92.4	Very high	86.5	Confident	90 Å²	90	70.2 Å²	70.2	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.6	-172.3	-172.9	-173.7	-174.9	5.9	111.2	I327 L328 V459 N460 L461 A462 L466 V467 I468	I327-R464 HydrophobicContact CD1-CG 4.01Å; I327-R464 HydrophobicContact CG1-CG 4.19Å; I327-R464 PolarHBondContact O-NH2 3.24Å; L328-R464 PolarHBondContact O-NH2 3.41Å; V459-R464 HydrophobicContact CG1-CB 4.19Å; N460-R464 WeakPolarHBondContact O-CB 3.4Å; N460-R464 PolarHBondContact O-N 3.48Å; L461-R464 WeakPolarHBondContact O-CB 3.49Å; L461-R464 PolarHBondContact O-N 3.39Å; A462-R464 VanDerWaalsContact C-N 3.28Å; A462-R464 PolarHBondContact O-N 3.48Å; R464-L466 VanDerWaalsContact C-N 3.32Å; R464-L466 PolarHBondContact O-N 2.95Å; R464-V467 PolarHBondContact O-N 2.69Å; R464-I468 HydrophobicContact CG-CD1 4.2Å; R464-I468 WeakPolarHBondContact O-CG1 3.37Å; R464-I468 PolarHBondContact O-N 2.66Å
465	E	92.6	Very high	87.2	Confident	127 Å²	127	62.7 Å²	62.7	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-60.7	-41.6	173.7	-69.6	177.5	173.9	0	0	111.5	L461 A462 E463 V467 I468 N469	L461-E465 PolarHBondContact O-N 3.35Å; L461-E465 VanDerWaalsContact O-N 3.17Å; A462-E465 PolarHBondContact O-N 3.33Å; E463-E465 PolarHBondContact O-N 3.27Å; E465-V467 VanDerWaalsContact C-N 3.32Å; E465-V467 PolarHBondContact O-N 2.89Å; E465-I468 PolarHBondContact O-N 3.45Å; E465-N469 WeakPolarHBondContact O-CB 3.5Å; E465-N469 PolarHBondContact O-N 3.17Å; E465-N469 PolarHBondContact O-ND2 3.27Å
466	L	92	Very high	87.6	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-40.2	175.1	-68.4	172.2	0	0	0	112.5	T431 Q432 A435 A462 E463 R464 F470	T431-L466 HydrophobicContact CG2-CD1 3.79Å; T431-L466 HydrophobicContact CG2-CD2 4.45Å; Q432-L466 HydrophobicContact CG-CD2 4.33Å; A435-L466 HydrophobicContact CB-CB 3.9Å; A435-L466 HydrophobicContact CB-CD1 4.3Å; A462-L466 WeakPolarHBondContact O-CG 3.29Å; A462-L466 PolarHBondContact O-N 2.93Å; A462-L466 VanDerWaalsContact O-N 3.12Å; E463-L466 WeakPolarHBondContact O-CB 3.45Å; E463-L466 PolarHBondContact O-N 3.46Å; R464-L466 VanDerWaalsContact C-N 3.32Å; R464-L466 PolarHBondContact O-N 2.95Å; L466-F470 WeakPolarHBondContact O-CB 3.38Å; L466-F470 PolarHBondContact O-N 2.98Å
467	V	93.1	Very high	87.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-43.8	176.2	179.3	0	0	0	0	111.4	I327 A435 F436 W439 E463 R464 E465 N469 F470 I471	I327-V467 HydrophobicContact CD1-CB 3.66Å; I327-V467 HydrophobicContact CD1-CG1 3.37Å; A435-V467 VanDerWaalsContact C-CG2 3.43Å; A435-V467 HydrophobicContact CB-CG2 3.82Å; A435-V467 WeakPolarHBondContact O-CG2 3.5Å; F436-V467 HydrophobicContact CD2-CG1 4.18Å; W439-V467 HydrophobicContact CB-CG1 4.47Å; W439-V467 HydrophobicContact CB-CG2 3.99Å; W439-V467 HydrophobicContact CD2-CG1 3.95Å; W439-V467 HydrophobicContact CE3-CG1 3.65Å; W439-V467 HydrophobicContact CG-CG1 4.31Å; W439-V467 HydrophobicContact CZ3-CG1 4.19Å; E463-V467 WeakPolarHBondContact O-CG2 3.25Å; E463-V467 PolarHBondContact O-N 3.23Å; R464-V467 PolarHBondContact O-N 2.69Å; E465-V467 VanDerWaalsContact C-N 3.32Å; E465-V467 PolarHBondContact O-N 2.89Å; V467-N469 VanDerWaalsContact C-N 3.33Å; V467-N469 PolarHBondContact O-N 2.92Å; V467-F470 PolarHBondContact O-N 3.39Å; V467-I471 HydrophobicContact CG1-CD1 3.7Å; V467-I471 HydrophobicContact CG1-CG1 4.34Å; V467-I471 VanDerWaalsContact O-CG1 3.32Å; V467-I471 WeakPolarHBondContact O-CG1 3.27Å; V467-I471 PolarHBondContact O-N 3.35Å
468	I	92.8	Very high	88.2	Confident	41 Å²	41	57.4 Å²	57.4	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-45.5	176.6	-69.6	167.5	0	0	0	110.4	L324 I327 L328 R464 E465 F470 I471 T472	L324-I468 HydrophobicContact CD2-CG1 4.4Å; L324-I468 HydrophobicContact CD2-CG2 4.02Å; I327-I468 HydrophobicContact CD1-CG1 4.34Å; I327-I468 HydrophobicContact CG2-CG1 4.16Å; L328-I468 HydrophobicContact CD2-CD1 4.04Å; R464-I468 HydrophobicContact CG-CD1 4.2Å; R464-I468 WeakPolarHBondContact O-CG1 3.37Å; R464-I468 PolarHBondContact O-N 2.66Å; E465-I468 PolarHBondContact O-N 3.45Å; I468-F470 VanDerWaalsContact C-N 3.34Å; I468-F470 PolarHBondContact O-N 2.96Å; I468-I471 PolarHBondContact O-N 3.34Å; I468-T472 WeakPolarHBondContact O-CB 3.36Å; I468-T472 PolarHBondContact O-N 3.03Å; I468-T472 PolarHBondContact O-OG1 2.93Å
469	N	88.9	Confident	88.3	Confident	70 Å²	70	55 Å²	55	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-40.3	177.1	-68.8	-19.9	0	0	0	111.6	E465 V467 T472 D473	E465-N469 WeakPolarHBondContact O-CB 3.5Å; E465-N469 PolarHBondContact O-N 3.17Å; E465-N469 PolarHBondContact O-ND2 3.27Å; V467-N469 VanDerWaalsContact C-N 3.33Å; V467-N469 PolarHBondContact O-N 2.92Å; N469-T472 PolarHBondContact O-N 3.36Å; N469-D473 VanDerWaalsContact O-CB 3.23Å; N469-D473 WeakPolarHBondContact O-CB 3.41Å; N469-D473 PolarHBondContact O-N 3.34Å
470	F	89.6	Confident	88	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.013	30%	0.298	C	S	.	.	I	π-helix	trans	-62.2	-49.4	175.5	176.9	-99.4	0	0	0	112.3	Q432 L433 F436 L466 V467 I468 T472 S474 L475 V489	Q432-F470 HydrophobicContact CB-CB 4.15Å; Q432-F470 HydrophobicContact CB-CD2 4.15Å; L433-F470 HydrophobicContact CD2-CD2 4.4Å; L433-F470 HydrophobicContact CD2-CE2 3.57Å; L433-F470 HydrophobicContact CD2-CZ 3.69Å; L433-F470 HydrophobicContact CG-CE2 4.18Å; F436-F470 HydrophobicContact CB-CD1 4Å; F436-F470 HydrophobicContact CB-CE1 4.32Å; F436-F470 HydrophobicContact CB-CG 4.43Å; F436-F470 HydrophobicContact CD1-CD1 4.38Å; F436-F470 AromaticContact CD1-CE1 3.91Å; F436-F470 HydrophobicContact CD1-CE1 3.91Å; F436-F470 AromaticContact CD2-CD1 3.45Å; F436-F470 HydrophobicContact CD2-CD1 3.45Å; F436-F470 VanDerWaalsContact CD2-CD1 3.45Å; F436-F470 AromaticContact CD2-CE1 3.66Å; F436-F470 HydrophobicContact CD2-CE1 3.66Å; F436-F470 HydrophobicContact CE1-CE1 4.13Å; F436-F470 HydrophobicContact CE2-CD1 4.01Å; F436-F470 AromaticContact CE2-CE1 3.89Å; F436-F470 HydrophobicContact CE2-CE1 3.89Å; F436-F470 AromaticContact CG-CD1 3.67Å; F436-F470 HydrophobicContact CG-CD1 3.67Å; F436-F470 AromaticContact CG-CE1 3.67Å; F436-F470 HydrophobicContact CG-CE1 3.67Å; F436-F470 HydrophobicContact CZ-CE1 4.13Å; L466-F470 WeakPolarHBondContact O-CB 3.38Å; L466-F470 PolarHBondContact O-N 2.98Å; V467-F470 PolarHBondContact O-N 3.39Å; I468-F470 VanDerWaalsContact C-N 3.34Å; I468-F470 PolarHBondContact O-N 2.96Å; F470-T472 VanDerWaalsContact C-N 3.27Å; F470-T472 PolarHBondContact O-N 3.41Å; F470-S474 WeakPolarHBondContact O-CA 3.3Å; F470-S474 VanDerWaalsContact O-CB 3.3Å; F470-S474 WeakPolarHBondContact O-CB 3.25Å; F470-S474 PolarHBondContact O-N 3.43Å; F470-L475 PolarHBondContact O-N 3.34Å; F470-L475 VanDerWaalsContact O-N 3.17Å; F470-V489 HydrophobicContact CZ-CG1 3.86Å
471	I	91.3	Very high	87.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.	I	π-helix	trans	-62.1	-39.4	-179.7	-66.1	164.1	0	0	0	110.5	C320 L323 L324 F436 W439 V467 I468	C320-I471 HydrophobicContact CB-CG2 4.35Å; C320-I471 PolarHBondContact SG-O 2.82Å; L323-I471 HydrophobicContact CB-CD1 3.94Å; L323-I471 HydrophobicContact CB-CG1 4.36Å; L323-I471 HydrophobicContact CB-CG2 3.97Å; L323-I471 HydrophobicContact CD1-CG1 4.47Å; L324-I471 HydrophobicContact CD2-CB 4.47Å; L324-I471 HydrophobicContact CD2-CG2 4.22Å; L324-I471 HydrophobicContact CG-CG2 3.93Å; F436-I471 HydrophobicContact CE2-CG1 4.38Å; W439-I471 HydrophobicContact CH2-CD1 4.26Å; W439-I471 HydrophobicContact CZ3-CD1 4.06Å; V467-I471 HydrophobicContact CG1-CD1 3.7Å; V467-I471 HydrophobicContact CG1-CG1 4.34Å; V467-I471 VanDerWaalsContact O-CG1 3.32Å; V467-I471 WeakPolarHBondContact O-CG1 3.27Å; V467-I471 PolarHBondContact O-N 3.35Å; I468-I471 PolarHBondContact O-N 3.34Å
472	T	87.2	Confident	87.1	Confident	54 Å²	54	58.5 Å²	58.5	33%	0.331	32%	0.32	S	S	.	.	I	π-helix	trans	-79.5	-45.6	-176.1	-50	0	0	0	0	112.3	I468 N469 F470 Q476	I468-T472 WeakPolarHBondContact O-CB 3.36Å; I468-T472 PolarHBondContact O-N 3.03Å; I468-T472 PolarHBondContact O-OG1 2.93Å; N469-T472 PolarHBondContact O-N 3.36Å; F470-T472 VanDerWaalsContact C-N 3.27Å; F470-T472 PolarHBondContact O-N 3.41Å; T472-Q476 PolarHBondContact O-NE2 3.28Å
473	D	81.9	Confident	86.7	Confident	72 Å²	72	63 Å²	63	39%	0.385	33%	0.331	S	S	.	.	I	π-helix	trans	-97.2	-32.2	-168.3	-61.7	-22.3	0	0	0	113.6	N469 K503	N469-D473 VanDerWaalsContact O-CB 3.23Å; N469-D473 WeakPolarHBondContact O-CB 3.41Å; N469-D473 PolarHBondContact O-N 3.34Å; D473-K503 PolarHBondContact O-NZ 3.13Å
474	S	81.9	Confident	86.3	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.028	32%	0.324	C	S	.	.	I	π-helix	trans	-100.7	-40.2	-171.2	-56.6	0	0	0	0	112.7	F470 Q476 Q488	F470-S474 WeakPolarHBondContact O-CA 3.3Å; F470-S474 VanDerWaalsContact O-CB 3.3Å; F470-S474 WeakPolarHBondContact O-CB 3.25Å; F470-S474 PolarHBondContact O-N 3.43Å; S474-Q476 PolarHBondContact O-N 3.17Å; S474-Q476 VanDerWaalsContact O-N 3.1Å; S474-Q488 CarbonylContact O-C 3.57Å
475	L	84.9	Confident	85.8	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.331	C	S	.	.			trans	-84.2	79	-175.4	-168.8	70.3	0	0	0	112.2	F303 L319 L323 F470 Y487 Q488 V489	F303-L475 HydrophobicContact CD2-CD1 4.05Å; F303-L475 HydrophobicContact CE2-CD1 4.14Å; F303-L475 HydrophobicContact CG-CD1 4.37Å; L319-L475 HydrophobicContact CD2-CD2 3.75Å; L319-L475 HydrophobicContact CD2-CG 4.35Å; L319-L475 HydrophobicContact CG-CD2 4.02Å; L323-L475 HydrophobicContact CD1-CD2 3.64Å; F470-L475 PolarHBondContact O-N 3.34Å; F470-L475 VanDerWaalsContact O-N 3.17Å; L475-Y487 HydrophobicContact CD1-CD1 3.91Å; L475-Y487 HydrophobicContact CG-CD1 3.94Å; L475-Y487 HydrophobicContact CG-CE1 4.34Å; L475-Q488 WeakPolarHBondContact CA-O 3.41Å; L475-V489 HydrophobicContact CD1-CG1 4.34Å; L475-V489 HydrophobicContact CD1-CG2 4.2Å
476	Q	83.2	Confident	85.3	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.341	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.7	-173.4	-68	-67.7	-32.5	0	0	112	T472 S474 Q488	T472-Q476 PolarHBondContact O-NE2 3.28Å; S474-Q476 PolarHBondContact O-N 3.17Å; S474-Q476 VanDerWaalsContact O-N 3.1Å; Q476-Q488 PolarHBondContact N-O 3.48Å; Q476-Q488 PolarHBondContact O-N 3.43Å
477	P	85	Confident	84.8	Confident	47 Å²	47	55.9 Å²	55.9	31%	0.305	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.6	177.5	31.7	-33.8	0	0	0	111.3	F479 L484 Y487	P477-F479 HydrophobicContact CB-CD2 4.28Å; P477-F479 HydrophobicContact CB-CE2 3.66Å; P477-F479 HydrophobicContact CB-CZ 4.34Å; P477-F479 HydrophobicContact CG-CE2 3.87Å; P477-L484 HydrophobicContact CB-CD1 3.68Å; P477-Y487 HydrophobicContact CB-CE1 4.05Å; P477-Y487 HydrophobicContact CB-CE2 4.37Å
478	V	82.9	Confident	84	Confident	47 Å²	47	57.1 Å²	57.1	29%	0.285	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.7	175.4	-176.5	0	0	0	0	109.4	Q485 N486 Q488	V478-Q485 PolarHBondContact O-N 2.72Å; V478-N486 VanDerWaalsContact CB-OD1 3.27Å; V478-N486 WeakPolarHBondContact CB-OD1 3.35Å; V478-N486 PolarHBondContact N-O 2.86Å; V478-Q488 HydrophobicContact CG2-CB 4.09Å
479	F	84	Confident	83.3	Confident	109 Å²	109	55.3 Å²	55.3	48%	0.478	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.8	178	-68.6	-90.9	0	0	0	110.9	L311 P477 E483 L484	L311-F479 HydrophobicContact CD1-CE1 4.12Å; L311-F479 HydrophobicContact CD1-CZ 4.1Å; P477-F479 HydrophobicContact CB-CD2 4.28Å; P477-F479 HydrophobicContact CB-CE2 3.66Å; P477-F479 HydrophobicContact CB-CZ 4.34Å; P477-F479 HydrophobicContact CG-CE2 3.87Å; F479-E483 CarbonylContact C-O 3.59Å; F479-E483 VanDerWaalsContact CA-O 3.29Å; F479-E483 WeakPolarHBondContact CA-O 3.4Å; F479-L484 HydrophobicContact CD1-CB 4.11Å; F479-L484 HydrophobicContact CE1-CB 3.77Å; F479-L484 HydrophobicContact CE1-CD1 4.24Å; F479-L484 HydrophobicContact CE2-CD1 4.31Å; F479-L484 HydrophobicContact CZ-CB 4.39Å; F479-L484 HydrophobicContact CZ-CD1 4.1Å
480	V	81.3	Confident	83	Confident	72 Å²	72	52.2 Å²	52.2	44%	0.436	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.2	171.9	176.1	0	0	0	0	108.1	G482 E483 Q485	V480-G482 PolarHBondContact O-N 2.88Å; V480-G482 VanDerWaalsContact O-N 3.13Å; V480-E483 PolarHBondContact N-O 3.47Å; V480-E483 PolarHBondContact O-N 2.85Å; V480-Q485 HydrophobicContact CG2-CB 4.28Å
481	Q	80.3	Confident	82.8	Confident	196 Å²	196	52.5 Å²	52.5	92%	0.916	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.9	-176.7	-61.4	178.6	-9.2	0	0	114	E483	Q481-E483 VanDerWaalsContact C-N 3.28Å; Q481-E483 PolarHBondContact O-N 3.39Å
482	G	80.6	Confident	82.6	Confident	69 Å²	69	52.5 Å²	52.5	71%	0.711	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-4.2	180	0	0	0	0	0	115	V480	V480-G482 PolarHBondContact O-N 2.88Å; V480-G482 VanDerWaalsContact O-N 3.13Å
483	E	81.8	Confident	82.7	Confident	155 Å²	155	51.7 Å²	51.7	72%	0.724	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.2	173.9	-64.2	-164.5	160.7	0	0	111.4	F479 V480 Q481 Q485	F479-E483 CarbonylContact C-O 3.59Å; F479-E483 VanDerWaalsContact CA-O 3.29Å; F479-E483 WeakPolarHBondContact CA-O 3.4Å; V480-E483 PolarHBondContact N-O 3.47Å; V480-E483 PolarHBondContact O-N 2.85Å; Q481-E483 VanDerWaalsContact C-N 3.28Å; Q481-E483 PolarHBondContact O-N 3.39Å; E483-Q485 PolarHBondContact O-N 2.69Å; E483-Q485 VanDerWaalsContact O-N 3.12Å
484	L	84.2	Confident	83	Confident	12 Å²	12	48.7 Å²	48.7	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	108.1	175.1	178	72.4	0	0	0	109.4	A307 R308 L311 P477 F479 Y487	A307-L484 HydrophobicContact CB-CD2 3.54Å; R308-L484 HydrophobicContact CG-CD2 4.06Å; R308-L484 PolarHBondContact NE-O 3.2Å; R308-L484 VanDerWaalsContact NE-O 3.16Å; R308-L484 PolarHBondContact NH2-O 2.96Å; L311-L484 HydrophobicContact CD1-CB 4.03Å; L311-L484 HydrophobicContact CD1-CD2 3.89Å; L311-L484 HydrophobicContact CD1-CG 4.47Å; P477-L484 HydrophobicContact CB-CD1 3.68Å; F479-L484 HydrophobicContact CD1-CB 4.11Å; F479-L484 HydrophobicContact CE1-CB 3.77Å; F479-L484 HydrophobicContact CE1-CD1 4.24Å; F479-L484 HydrophobicContact CE2-CD1 4.31Å; F479-L484 HydrophobicContact CZ-CB 4.39Å; F479-L484 HydrophobicContact CZ-CD1 4.1Å; L484-Y487 HydrophobicContact CD1-CD2 4.32Å; L484-Y487 HydrophobicContact CD1-CE2 3.99Å; L484-Y487 HydrophobicContact CD2-CD2 4.23Å; L484-Y487 HydrophobicContact CD2-CE2 3.66Å; L484-Y487 HydrophobicContact CG-CE2 4.41Å
485	Q	83	Confident	83.4	Confident	105 Å²	105	48.5 Å²	48.5	49%	0.491	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-58.8	178.5	-172.4	177.1	19.1	0	0	110	R308 V478 V480 E483	R308-Q485 PolarHBondContact NH2-O 2.9Å; V478-Q485 PolarHBondContact O-N 2.72Å; V480-Q485 HydrophobicContact CG2-CB 4.28Å; E483-Q485 PolarHBondContact O-N 2.69Å; E483-Q485 VanDerWaalsContact O-N 3.12Å
486	N	81.8	Confident	83.8	Confident	34 Å²	34	48.9 Å²	48.9	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	174.3	-178.9	60.9	-0.4	0	0	0	111.5	D300 T304 V478	D300-N486 VanDerWaalsContact OD1-CB 3.32Å; D300-N486 WeakPolarHBondContact OD1-CB 3.28Å; D300-N486 WeakPolarHBondContact OD2-CB 3.41Å; T304-N486 WeakPolarHBondContact OG1-CA 3.32Å; V478-N486 VanDerWaalsContact CB-OD1 3.27Å; V478-N486 WeakPolarHBondContact CB-OD1 3.35Å; V478-N486 PolarHBondContact N-O 2.86Å
487	Y	81.1	Confident	84.1	Confident	10 Å²	10	50.8 Å²	50.8	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.9	164.4	-89.7	-101.8	0	0	0	108.6	D300 F303 T304 A307 L319 L475 P477 L484 V489	D300-Y487 PolarHBondContact OD1-N 3.39Å; D300-Y487 VanDerWaalsContact OD1-N 3.08Å; F303-Y487 HydrophobicContact CB-CD2 4.31Å; F303-Y487 HydrophobicContact CB-CG 4.25Å; T304-Y487 PolarHBondContact OG1-N 3.28Å; T304-Y487 VanDerWaalsContact OG1-N 3.11Å; A307-Y487 HydrophobicContact CB-CD2 4.25Å; A307-Y487 HydrophobicContact CB-CE2 3.24Å; L319-Y487 HydrophobicContact CB-CE1 3.97Å; L319-Y487 WeakPolarHBondContact CB-OH 3.27Å; L319-Y487 HydrophobicContact CD2-CD1 4.23Å; L319-Y487 HydrophobicContact CD2-CE1 3.72Å; L319-Y487 HydrophobicContact CG-CE1 4.44Å; L475-Y487 HydrophobicContact CD1-CD1 3.91Å; L475-Y487 HydrophobicContact CG-CD1 3.94Å; L475-Y487 HydrophobicContact CG-CE1 4.34Å; P477-Y487 HydrophobicContact CB-CE1 4.05Å; P477-Y487 HydrophobicContact CB-CE2 4.37Å; L484-Y487 HydrophobicContact CD1-CD2 4.32Å; L484-Y487 HydrophobicContact CD1-CE2 3.99Å; L484-Y487 HydrophobicContact CD2-CD2 4.23Å; L484-Y487 HydrophobicContact CD2-CE2 3.66Å; L484-Y487 HydrophobicContact CG-CE2 4.41Å; Y487-V489 WeakPolarHBondContact O-CG2 3.33Å; Y487-V489 PolarHBondContact O-N 3.26Å
488	Q	77.4	Confident	84.2	Confident	25 Å²	25	51.5 Å²	51.5	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.2	161.8	-168.2	-170.2	-34.6	0	0	107.4	S474 L475 Q476 V478 D490 Y502	S474-Q488 CarbonylContact O-C 3.57Å; L475-Q488 WeakPolarHBondContact CA-O 3.41Å; Q476-Q488 PolarHBondContact N-O 3.48Å; Q476-Q488 PolarHBondContact O-N 3.43Å; V478-Q488 HydrophobicContact CG2-CB 4.09Å; Q488-D490 WeakPolarHBondContact CG-O 3.23Å; Q488-D490 PolarHBondContact NE2-O 2.86Å; Q488-Y502 PolarHBondContact NE2-OH 3.13Å; Q488-Y502 PolarHBondContact OE1-OH 3.14Å; Q488-Y502 VanDerWaalsContact OE1-OH 3.11Å
489	V	78.1	Confident	84.3	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.024	28%	0.28	C	S	.	.			trans	-113.2	-10.4	-177.1	-166.7	0	0	0	0	111.6	I296 M299 F303 F470 L475 Y487	I296-V489 HydrophobicContact CD1-CB 4.06Å; I296-V489 HydrophobicContact CD1-CG2 4.47Å; M299-V489 HydrophobicContact CE-CG1 3.52Å; M299-V489 HydrophobicContact SD-CG1 4.39Å; F303-V489 HydrophobicContact CD2-CG2 4.3Å; F470-V489 HydrophobicContact CZ-CG1 3.86Å; L475-V489 HydrophobicContact CD1-CG1 4.34Å; L475-V489 HydrophobicContact CD1-CG2 4.2Å; Y487-V489 WeakPolarHBondContact O-CG2 3.33Å; Y487-V489 PolarHBondContact O-N 3.26Å
490	D	81.8	Confident	84.3	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.027	28%	0.278	C	S	.	.			trans	-145.4	175.5	-175.7	73.1	94.7	0	0	0	114.2	W292 I296 Y360 Q488 V492 E493	W292-D490 VanDerWaalsContact NE1-CG 3.32Å; W292-D490 PolarHBondContact NE1-OD1 2.86Å; W292-D490 PolarHBondContact NE1-OD2 2.89Å; I296-D490 VanDerWaalsContact CD1-OD2 3.27Å; I296-D490 WeakPolarHBondContact CD1-OD2 3.32Å; Y360-D490 WeakPolarHBondContact OH-CB 3.41Å; Q488-D490 WeakPolarHBondContact CG-O 3.23Å; Q488-D490 PolarHBondContact NE2-O 2.86Å; D490-V492 WeakPolarHBondContact OD1-CA 3.36Å; D490-V492 WeakPolarHBondContact OD1-CB 3.37Å; D490-V492 PolarHBondContact OD1-N 3.12Å; D490-E493 PolarHBondContact OD1-N 3.13Å; D490-E493 VanDerWaalsContact OD1-N 3.13Å
491	L	84.6	Confident	84.4	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.042	26%	0.258	C	S	.	.	S	Bend	trans	-114.5	4.2	-179.3	-62.4	178	0	0	0	112.7	V425 Q494 Y495 K503 V508	V425-L491 HydrophobicContact CG1-CB 3.57Å; V425-L491 HydrophobicContact CG1-CD1 4.31Å; L491-Q494 WeakPolarHBondContact O-CG 3.12Å; L491-Q494 PolarHBondContact O-NE2 3.25Å; L491-Q494 VanDerWaalsContact O-NE2 3.11Å; L491-Y495 WeakPolarHBondContact O-CD2 3.24Å; L491-Y495 VanDerWaalsContact O-CE2 3.31Å; L491-Y495 WeakPolarHBondContact O-CE2 3.26Å; L491-K503 HydrophobicContact CD2-CB 4.1Å; L491-K503 HydrophobicContact CD2-CD 3.77Å; L491-V508 HydrophobicContact CD1-CG1 4.17Å; L491-V508 HydrophobicContact CD1-CG2 3.78Å
492	V	88	Confident	84.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-80.3	-38.4	-179.5	172.9	0	0	0	0	110.3	W292 Y360 L422 I426 D490 Q494 Y495 I496	W292-V492 HydrophobicContact CG-CG1 4.21Å; Y360-V492 HydrophobicContact CE1-CG2 3.63Å; L422-V492 HydrophobicContact CD1-CB 4.43Å; L422-V492 HydrophobicContact CD1-CG1 4.12Å; L422-V492 HydrophobicContact CD1-CG2 4.2Å; I426-V492 HydrophobicContact CG1-CG2 3.8Å; D490-V492 WeakPolarHBondContact OD1-CA 3.36Å; D490-V492 WeakPolarHBondContact OD1-CB 3.37Å; D490-V492 PolarHBondContact OD1-N 3.12Å; V492-Q494 VanDerWaalsContact C-N 3.28Å; V492-Q494 PolarHBondContact O-N 3.05Å; V492-Y495 WeakPolarHBondContact O-CB 2.99Å; V492-Y495 PolarHBondContact O-N 3.38Å; V492-I496 HydrophobicContact CG1-CD1 4.4Å; V492-I496 HydrophobicContact CG1-CG2 4.13Å; V492-I496 PolarHBondContact O-N 3.36Å
493	E	88.3	Confident	84.4	Confident	37 Å²	37	42.5 Å²	42.5	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-48.4	-47	-178.1	-168.4	-179.5	166.3	0	0	113.4	W292 D490 Y495 I496 R497	W292-E493 HydrophobicContact CH2-CB 3.87Å; W292-E493 HydrophobicContact CH2-CG 3.52Å; W292-E493 HydrophobicContact CZ2-CB 3.47Å; W292-E493 VanDerWaalsContact CZ2-CB 3.47Å; W292-E493 HydrophobicContact CZ2-CG 3.71Å; W292-E493 HydrophobicContact CZ3-CG 4.32Å; D490-E493 PolarHBondContact OD1-N 3.13Å; D490-E493 VanDerWaalsContact OD1-N 3.13Å; E493-Y495 PolarHBondContact O-N 2.86Å; E493-Y495 VanDerWaalsContact O-N 3.13Å; E493-I496 WeakPolarHBondContact O-CG1 3.44Å; E493-I496 PolarHBondContact O-N 2.93Å; E493-I496 VanDerWaalsContact O-N 3.14Å; E493-R497 HydrophobicContact CG-CG 4.1Å; E493-R497 PolarHBondContact O-N 3.5Å; E493-R497 WeakPolarHBondContact OE1-CD 3.39Å; E493-R497 IonicContact OE1-CZ 2.66Å; E493-R497 VanDerWaalsContact OE1-CZ 3.25Å; E493-R497 IonicContact OE1-NE 2.85Å; E493-R497 IonicContact OE1-NH1 3.68Å; E493-R497 PolarHBondContact OE1-NH1 3.11Å
494	Q	88.3	Confident	84.2	Confident	9 Å²	9	35.7 Å²	35.7	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-20	-178.1	61	174.3	-19.6	0	0	113.9	L491 V492 V501 Y502 K503 T550	L491-Q494 WeakPolarHBondContact O-CG 3.12Å; L491-Q494 PolarHBondContact O-NE2 3.25Å; L491-Q494 VanDerWaalsContact O-NE2 3.11Å; V492-Q494 VanDerWaalsContact C-N 3.28Å; V492-Q494 PolarHBondContact O-N 3.05Å; Q494-V501 HydrophobicContact CG-CG1 4.31Å; Q494-V501 WeakPolarHBondContact O-CG2 3.31Å; Q494-Y502 HydrophobicContact CB-CD1 4.17Å; Q494-Y502 HydrophobicContact CB-CE1 3.53Å; Q494-Y502 HydrophobicContact CG-CE1 4.41Å; Q494-Y502 VanDerWaalsContact OE1-N 3.12Å; Q494-K503 PolarHBondContact NE2-O 3.37Å; Q494-T550 VanDerWaalsContact O-CG2 3.22Å; Q494-T550 WeakPolarHBondContact O-CG2 3.36Å
495	Y	91.5	Very high	83.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-87.7	-38	175.7	-68	-100.1	0	0	0	111.6	K418 E421 L422 V425 L491 V492 E493 V501 L551 A552	K418-Y495 HydrophobicContact CD-CD1 4.36Å; K418-Y495 HydrophobicContact CD-CE1 4.25Å; K418-Y495 VanDerWaalsContact CE-CD1 3.47Å; K418-Y495 HydrophobicContact CG-CD1 4.24Å; E421-Y495 HydrophobicContact CB-CE1 4.37Å; E421-Y495 HydrophobicContact CG-CE1 4.02Å; E421-Y495 WeakPolarHBondContact OE1-CE1 3.46Å; E421-Y495 PolarHBondContact OE1-OH 3.31Å; L422-Y495 HydrophobicContact CB-CD1 4.16Å; L422-Y495 HydrophobicContact CB-CG 4.42Å; L422-Y495 HydrophobicContact CD1-CD2 4.01Å; L422-Y495 HydrophobicContact CD1-CG 3.95Å; V425-Y495 HydrophobicContact CB-CE2 4.5Å; V425-Y495 HydrophobicContact CG1-CE2 4.29Å; V425-Y495 HydrophobicContact CG2-CE2 4.15Å; V425-Y495 WeakPolarHBondContact CG2-OH 3.05Å; L491-Y495 WeakPolarHBondContact O-CD2 3.24Å; L491-Y495 VanDerWaalsContact O-CE2 3.31Å; L491-Y495 WeakPolarHBondContact O-CE2 3.26Å; V492-Y495 WeakPolarHBondContact O-CB 2.99Å; V492-Y495 PolarHBondContact O-N 3.38Å; E493-Y495 PolarHBondContact O-N 2.86Å; E493-Y495 VanDerWaalsContact O-N 3.13Å; Y495-V501 HydrophobicContact CD1-CG2 4.49Å; Y495-V501 HydrophobicContact CE1-CG1 4.41Å; Y495-V501 HydrophobicContact CE2-CG1 4.3Å; Y495-L551 WeakPolarHBondContact O-CA 3.23Å; Y495-L551 VanDerWaalsContact O-CB 3.28Å; Y495-L551 WeakPolarHBondContact O-CB 3.05Å; Y495-L551 PolarHBondContact O-N 3.39Å; Y495-A552 PolarHBondContact O-N 3.41Å
496	I	92	Very high	83	Confident	10 Å²	10	34.8 Å²	34.8	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-90.9	-20.3	-170.2	63.3	168.3	0	0	0	113.6	F285 V288 W292 V492 E493 A552	F285-I496 HydrophobicContact CE2-CG2 4.47Å; F285-I496 HydrophobicContact CZ-CB 4.34Å; V288-I496 HydrophobicContact CG1-CG2 3.86Å; W292-I496 HydrophobicContact CB-CD1 3.92Å; W292-I496 HydrophobicContact CD2-CD1 3.54Å; W292-I496 HydrophobicContact CE3-CD1 3.52Å; W292-I496 HydrophobicContact CG-CD1 3.71Å; W292-I496 HydrophobicContact CZ3-CD1 4.26Å; V492-I496 HydrophobicContact CG1-CD1 4.4Å; V492-I496 HydrophobicContact CG1-CG2 4.13Å; V492-I496 PolarHBondContact O-N 3.36Å; E493-I496 WeakPolarHBondContact O-CG1 3.44Å; E493-I496 PolarHBondContact O-N 2.93Å; E493-I496 VanDerWaalsContact O-N 3.14Å; I496-A552 VanDerWaalsContact O-CB 3.31Å; I496-A552 WeakPolarHBondContact O-CB 3.4Å
497	R	90.1	Very high	82.3	Confident	112 Å²	112	37.5 Å²	37.5	42%	0.423	19%	0.194	S	C	.	.	S	Bend	trans	-92.7	152.6	172.6	-65.4	-169.8	174	177.7	-6.5	110.7	E493 T550	E493-R497 HydrophobicContact CG-CG 4.1Å; E493-R497 PolarHBondContact O-N 3.5Å; E493-R497 WeakPolarHBondContact OE1-CD 3.39Å; E493-R497 IonicContact OE1-CZ 2.66Å; E493-R497 VanDerWaalsContact OE1-CZ 3.25Å; E493-R497 IonicContact OE1-NE 2.85Å; E493-R497 IonicContact OE1-NH1 3.68Å; E493-R497 PolarHBondContact OE1-NH1 3.11Å; R497-T550 VanDerWaalsContact O-CB 3.23Å; R497-T550 WeakPolarHBondContact O-CB 3.47Å; R497-T550 VanDerWaalsContact O-CG2 3.32Å; R497-T550 WeakPolarHBondContact O-CG2 3.06Å; R497-T550 PolarHBondContact O-OG1 3.17Å
498	S	88	Confident	81.4	Confident	62 Å²	62	37.6 Å²	37.6	43%	0.434	20%	0.196	S	C	.	.	S	Bend	trans	-66.8	145.8	169.9	-81.3	0	0	0	0	110.9	D553 K557	S498-D553 VanDerWaalsContact CB-OD1 3.29Å; S498-D553 WeakPolarHBondContact CB-OD1 3.13Å; S498-D553 PolarHBondContact OG-OD1 3.02Å; S498-K557 WeakPolarHBondContact OG-CE 3.37Å; S498-K557 PolarHBondContact OG-NZ 3.23Å
499	G	84.5	Confident	80.6	Confident	49 Å²	49	38.6 Å²	38.6	51%	0.505	21%	0.208	S	C	.	.	S	Bend	trans	138.2	-127.7	179.1	0	0	0	0	0	112.2	T550 D553	G499-T550 VanDerWaalsContact C-CG2 3.48Å; G499-T550 WeakPolarHBondContact O-CG2 3.44Å; G499-D553 PolarHBondContact N-OD2 2.65Å; G499-D553 VanDerWaalsContact N-OD2 3.09Å
500	E	84.2	Confident	79.5	Confident	94 Å²	94	46.8 Å²	46.8	44%	0.439	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-132	139.7	-177.7	-170.9	174	-175.1	0	0	111.5	Y502 R548	E500-Y502 PolarHBondContact O-N 3.18Å; E500-R548 WeakPolarHBondContact CA-O 3.37Å; E500-R548 HydrophobicContact CG-CB 3.92Å; E500-R548 HydrophobicContact CG-CG 4.15Å; E500-R548 WeakPolarHBondContact OE1-CD 3.08Å; E500-R548 VanDerWaalsContact OE1-CG 3.23Å; E500-R548 WeakPolarHBondContact OE1-CG 3.17Å; E500-R548 IonicContact OE1-CZ 3.23Å; E500-R548 VanDerWaalsContact OE1-CZ 3.3Å; E500-R548 IonicContact OE1-NE 2.73Å; E500-R548 PolarHBondContact OE1-NE 3.01Å; E500-R548 IonicContact OE1-NH1 3.1Å; E500-R548 PolarHBondContact OE1-NH1 2.84Å
501	V	83.2	Confident	77.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.266	C	S	.	.			trans	-81	104.2	168.2	-178.3	0	0	0	0	108.4	Q494 Y495 P504 R548 T550	Q494-V501 HydrophobicContact CG-CG1 4.31Å; Q494-V501 WeakPolarHBondContact O-CG2 3.31Å; Y495-V501 HydrophobicContact CD1-CG2 4.49Å; Y495-V501 HydrophobicContact CE1-CG1 4.41Å; Y495-V501 HydrophobicContact CE2-CG1 4.3Å; V501-P504 HydrophobicContact CG1-CB 4.09Å; V501-R548 PolarHBondContact N-O 3.13Å; V501-T550 HydrophobicContact CG2-CG2 4.08Å
502	Y	81.7	Confident	76.2	Confident	107 Å²	107	51.1 Å²	51.1	42%	0.42	28%	0.277	S	S	.	.	S	Bend	trans	-87.1	-23.4	-178.3	52.3	-90.1	0	0	0	113.5	Q488 Q494 E500	Q488-Y502 PolarHBondContact NE2-OH 3.13Å; Q488-Y502 PolarHBondContact OE1-OH 3.14Å; Q488-Y502 VanDerWaalsContact OE1-OH 3.11Å; Q494-Y502 HydrophobicContact CB-CD1 4.17Å; Q494-Y502 HydrophobicContact CB-CE1 3.53Å; Q494-Y502 HydrophobicContact CG-CE1 4.41Å; Q494-Y502 VanDerWaalsContact OE1-N 3.12Å; E500-Y502 PolarHBondContact O-N 3.18Å
503	K	79.3	Confident	74.3	Confident	54 Å²	54	53.3 Å²	53.3	24%	0.235	29%	0.289	C	S	.	.	S	Bend	trans	-123.3	75	174.1	-80.7	174.6	-177.4	176.8	0	110	D473 L491 Q494 V508	D473-K503 PolarHBondContact O-NZ 3.13Å; L491-K503 HydrophobicContact CD2-CB 4.1Å; L491-K503 HydrophobicContact CD2-CD 3.77Å; Q494-K503 PolarHBondContact NE2-O 3.37Å; K503-V508 HydrophobicContact CB-CG2 4.3Å
504	P	76.9	Confident	72.5	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.071	32%	0.317	C	S	.	.			trans	-68.5	164.6	176.3	30.1	-35.4	0	0	0	111.2	V501 E506 V507 V508	V501-P504 HydrophobicContact CG1-CB 4.09Å; P504-E506 PolarHBondContact O-N 3.39Å; P504-E506 VanDerWaalsContact O-N 3.07Å; P504-V507 HydrophobicContact CG-CG2 3.96Å; P504-V507 WeakPolarHBondContact O-CB 3.18Å; P504-V507 PolarHBondContact O-N 2.87Å; P504-V508 WeakPolarHBondContact O-CG2 3.45Å; P504-V508 PolarHBondContact O-N 2.69Å; P504-V508 VanDerWaalsContact O-N 3.1Å
505	L	73.5	Confident	70.5	Confident	32 Å²	32	65 Å²	65	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-54.4	-34	-176.7	-177.2	67.6	0	0	0	113.3	E421 L424 V425 V507 V508 A509	E421-L505 HydrophobicContact CG-CB 3.52Å; E421-L505 HydrophobicContact CG-CD2 4.23Å; E421-L505 HydrophobicContact CG-CG 4.5Å; E421-L505 PolarHBondContact OE1-N 2.89Å; E421-L505 VanDerWaalsContact OE1-N 3.09Å; L424-L505 HydrophobicContact CB-CD1 4.07Å; L424-L505 HydrophobicContact CB-CD2 3.87Å; L424-L505 HydrophobicContact CD1-CD2 3.48Å; L424-L505 VanDerWaalsContact CD1-CD2 3.48Å; L424-L505 HydrophobicContact CG-CD2 4.32Å; V425-L505 HydrophobicContact CG2-CB 4.41Å; V425-L505 HydrophobicContact CG2-CD1 4.06Å; L505-V507 VanDerWaalsContact C-N 3.26Å; L505-V507 PolarHBondContact O-N 3.27Å; L505-V508 CarbonylContact O-C 3.55Å; L505-V508 PolarHBondContact O-N 3.26Å; L505-V508 VanDerWaalsContact O-N 3.09Å; L505-A509 HydrophobicContact CD1-CB 4.21Å; L505-A509 HydrophobicContact CG-CB 4.35Å; L505-A509 VanDerWaalsContact O-CB 3.31Å; L505-A509 WeakPolarHBondContact O-CB 3.46Å; L505-A509 PolarHBondContact O-N 2.94Å
506	E	68.1	Low	68.7	Low	66 Å²	66	68 Å²	68	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-57.7	-38.3	176.4	-66.1	178.9	165.7	0	0	112.8	P504 L513	P504-E506 PolarHBondContact O-N 3.39Å; P504-E506 VanDerWaalsContact O-N 3.07Å; E506-L513 HydrophobicContact CG-CD1 3.73Å; E506-L513 WeakPolarHBondContact OE1-CD1 3.19Å
507	V	68.4	Low	66.7	Low	92 Å²	92	76.2 Å²	76.2	56%	0.558	40%	0.396	S	S	*	.	H	α-helix	trans	-75.7	-38.3	175.9	177.1	0	0	0	0	110	P504 L505	P504-V507 HydrophobicContact CG-CG2 3.96Å; P504-V507 WeakPolarHBondContact O-CB 3.18Å; P504-V507 PolarHBondContact O-N 2.87Å; L505-V507 VanDerWaalsContact C-N 3.26Å; L505-V507 PolarHBondContact O-N 3.27Å
508	V	61.5	Low	64.9	Low	12 Å²	12	78 Å²	78	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-72.3	-42.2	-176.6	175.7	0	0	0	0	111.7	K428 L491 K503 P504 L505	K428-V508 HydrophobicContact CD-CG1 3.27Å; K428-V508 PolarHBondContact NZ-O 2.93Å; L491-V508 HydrophobicContact CD1-CG1 4.17Å; L491-V508 HydrophobicContact CD1-CG2 3.78Å; K503-V508 HydrophobicContact CB-CG2 4.3Å; P504-V508 WeakPolarHBondContact O-CG2 3.45Å; P504-V508 PolarHBondContact O-N 2.69Å; P504-V508 VanDerWaalsContact O-N 3.1Å; L505-V508 CarbonylContact O-C 3.55Å; L505-V508 PolarHBondContact O-N 3.26Å; L505-V508 VanDerWaalsContact O-N 3.09Å
509	A	60.4	Low	63.4	Low	45 Å²	45	81.1 Å²	81.1	37%	0.372	41%	0.411	S	S	.	.	S	Bend	trans	-85.4	-9.2	-174.4	0	0	0	0	0	113.3	L505 S511	L505-A509 HydrophobicContact CD1-CB 4.21Å; L505-A509 HydrophobicContact CG-CB 4.35Å; L505-A509 VanDerWaalsContact O-CB 3.31Å; L505-A509 WeakPolarHBondContact O-CB 3.46Å; L505-A509 PolarHBondContact O-N 2.94Å; A509-S511 VanDerWaalsContact CB-OG 3.32Å; A509-S511 WeakPolarHBondContact CB-OG 3.48Å; A509-S511 PolarHBondContact O-N 2.93Å
510	Q	54.3	Low	61.9	Low	176 Å²	176	81.1 Å²	81.1	82%	0.822	41%	0.407	S	S	*	.	S	Bend	trans	50.3	14.9	-170.9	-62.2	-179.3	-5.9	0	0	113.7
511	S	49.5	Very low	60.5	Low	64 Å²	64	80 Å²	80	45%	0.448	41%	0.409	S	S	.	.			trans	-112.2	112.9	171.5	54.7	0	0	0	0	106.3	A509	A509-S511 VanDerWaalsContact CB-OG 3.32Å; A509-S511 WeakPolarHBondContact CB-OG 3.48Å; A509-S511 PolarHBondContact O-N 2.93Å
512	S	47.7	Very low	59.4	Low	40 Å²	40	85 Å²	85	28%	0.28	44%	0.436	S	S	.	.			trans	-69.1	142.5	172.5	78.7	0	0	0	0	108.1	K514 N515	S512-K514 PolarHBondContact O-N 2.83Å; S512-K514 WeakPolarHBondContact OG-CA 3.45Å; S512-K514 VanDerWaalsContact OG-CB 3.27Å; S512-K514 WeakPolarHBondContact OG-CB 3.49Å; S512-K514 PolarHBondContact OG-N 3.36Å; S512-N515 WeakPolarHBondContact O-CB 3.28Å; S512-N515 PolarHBondContact O-N 2.92Å; S512-N515 VanDerWaalsContact OG-CG 3.28Å; S512-N515 PolarHBondContact OG-N 3.35Å; S512-N515 VanDerWaalsContact OG-N 3.07Å; S512-N515 PolarHBondContact OG-OD1 2.88Å
513	L	49.8	Very low	58.2	Low	46 Å²	46	85.3 Å²	85.3	24%	0.241	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-54.2	-17.9	163.3	-97.1	107.3	0	0	0	111.7	E506 N515	E506-L513 HydrophobicContact CG-CD1 3.73Å; E506-L513 WeakPolarHBondContact OE1-CD1 3.19Å; L513-N515 VanDerWaalsContact C-N 3.33Å
514	K	48.8	Very low	57.3	Low	173 Å²	173	88.9 Å²	88.9	75%	0.752	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-73.6	-18.1	174.4	-52.8	-177	174	-176.6	0	113.7	S512 D516	S512-K514 PolarHBondContact O-N 2.83Å; S512-K514 WeakPolarHBondContact OG-CA 3.45Å; S512-K514 VanDerWaalsContact OG-CB 3.27Å; S512-K514 WeakPolarHBondContact OG-CB 3.49Å; S512-K514 PolarHBondContact OG-N 3.36Å; K514-D516 VanDerWaalsContact C-N 3.26Å; K514-D516 PolarHBondContact O-N 3.26Å
515	N	48	Very low	56.5	Low	118 Å²	118	90.2 Å²	90.2	63%	0.631	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-79.6	-11.6	179.3	-69	-4.5	0	0	0	112.8	S512 L513 K517	S512-N515 WeakPolarHBondContact O-CB 3.28Å; S512-N515 PolarHBondContact O-N 2.92Å; S512-N515 VanDerWaalsContact OG-CG 3.28Å; S512-N515 PolarHBondContact OG-N 3.35Å; S512-N515 VanDerWaalsContact OG-N 3.07Å; S512-N515 PolarHBondContact OG-OD1 2.88Å; L513-N515 VanDerWaalsContact C-N 3.33Å; N515-K517 PolarHBondContact O-N 3.23Å; N515-K517 VanDerWaalsContact O-N 3.17Å
516	D	52.4	Low	55.7	Low	64 Å²	64	92.6 Å²	92.6	34%	0.342	48%	0.476	S	S	.	.			trans	-84.9	88	-177.7	-151.6	-3.2	0	0	0	108.9	K514 E518 R519 A520	K514-D516 VanDerWaalsContact C-N 3.26Å; K514-D516 PolarHBondContact O-N 3.26Å; D516-E518 PolarHBondContact O-N 3.06Å; D516-R519 HydrophobicContact CB-CB 4.19Å; D516-R519 HydrophobicContact CB-CG 4.4Å; D516-R519 PolarHBondContact O-N 3.35Å; D516-R519 WeakPolarHBondContact OD2-CD 3.22Å; D516-R519 IonicContact OD2-CZ 3.76Å; D516-R519 IonicContact OD2-NE 3.83Å; D516-R519 IonicContact OD2-NH1 3.04Å; D516-R519 PolarHBondContact OD2-NH1 3.43Å; D516-A520 PolarHBondContact O-N 3.35Å; D516-A520 VanDerWaalsContact O-N 3.08Å
517	K	50.6	Low	55.1	Low	182 Å²	182	94.8 Å²	94.8	79%	0.791	49%	0.486	S	S	*	.	H	α-helix	trans	-49.6	-35.8	-174.8	-82.1	-175.5	176.9	179	0	113	N515 A520 S521	N515-K517 PolarHBondContact O-N 3.23Å; N515-K517 VanDerWaalsContact O-N 3.17Å; K517-A520 PolarHBondContact O-N 2.9Å; K517-S521 PolarHBondContact O-N 3.35Å; K517-S521 VanDerWaalsContact O-N 3.1Å; K517-S521 PolarHBondContact O-OG 3.16Å
518	E	53	Low	54.6	Low	149 Å²	149	95.2 Å²	95.2	70%	0.696	48%	0.482	S	S	*	.	H	α-helix	trans	-70.6	-33.9	179.9	-64.4	-177.8	174.6	0	0	112.8	D516 S521 L522	D516-E518 PolarHBondContact O-N 3.06Å; E518-S521 PolarHBondContact O-OG 3.15Å; E518-L522 WeakPolarHBondContact O-CB 3.49Å; E518-L522 PolarHBondContact O-N 3.27Å; E518-L522 VanDerWaalsContact O-N 3.1Å
519	R	55.5	Low	54.4	Low	128 Å²	128	99.1 Å²	99.1	48%	0.483	50%	0.502	S	S	.	.	H	α-helix	trans	-77.5	-32.3	174.6	-75.3	-175.3	166.2	140.7	-12.4	112.3	D516 L522 R523	D516-R519 HydrophobicContact CB-CB 4.19Å; D516-R519 HydrophobicContact CB-CG 4.4Å; D516-R519 PolarHBondContact O-N 3.35Å; D516-R519 WeakPolarHBondContact OD2-CD 3.22Å; D516-R519 IonicContact OD2-CZ 3.76Å; D516-R519 IonicContact OD2-NE 3.83Å; D516-R519 IonicContact OD2-NH1 3.04Å; D516-R519 PolarHBondContact OD2-NH1 3.43Å; R519-L522 PolarHBondContact O-N 3.21Å; R519-R523 WeakPolarHBondContact O-CB 3.4Å; R519-R523 WeakPolarHBondContact O-CG 3.43Å; R519-R523 PolarHBondContact O-N 2.71Å
520	A	53.2	Low	54	Low	49 Å²	49	98.1 Å²	98.1	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-41.8	173.7	0	0	0	0	0	111.5	D516 K517 R523 K524	D516-A520 PolarHBondContact O-N 3.35Å; D516-A520 VanDerWaalsContact O-N 3.08Å; K517-A520 PolarHBondContact O-N 2.9Å; A520-R523 PolarHBondContact O-N 3.39Å; A520-K524 WeakPolarHBondContact O-CB 3.12Å; A520-K524 PolarHBondContact O-N 3.35Å
521	S	55.7	Low	54	Low	71 Å²	71	96.5 Å²	96.5	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-39.3	174.2	58.6	0	0	0	0	112.4	K517 E518 K524 A525	K517-S521 PolarHBondContact O-N 3.35Å; K517-S521 VanDerWaalsContact O-N 3.1Å; K517-S521 PolarHBondContact O-OG 3.16Å; E518-S521 PolarHBondContact O-OG 3.15Å; S521-K524 PolarHBondContact O-N 3.24Å; S521-A525 VanDerWaalsContact O-CB 3.29Å; S521-A525 WeakPolarHBondContact O-CB 3.37Å; S521-A525 PolarHBondContact O-N 3.11Å
522	L	58.5	Low	54.1	Low	106 Å²	106	101.5 Å²	101.5	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-41.8	173.8	-92.6	159.2	0	0	0	112.8	E518 R519 A525 L526	E518-L522 WeakPolarHBondContact O-CB 3.49Å; E518-L522 PolarHBondContact O-N 3.27Å; E518-L522 VanDerWaalsContact O-N 3.1Å; R519-L522 PolarHBondContact O-N 3.21Å; L522-A525 PolarHBondContact O-N 3.08Å; L522-L526 VanDerWaalsContact O-CB 3.29Å; L522-L526 WeakPolarHBondContact O-CB 3.5Å; L522-L526 WeakPolarHBondContact O-CG 3.49Å; L522-L526 PolarHBondContact O-N 3.02Å
523	R	58.5	Low	54.1	Low	113 Å²	113	101.1 Å²	101.1	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-47.3	174	-80.1	-177.3	-176.6	173.3	1.6	110.9	R519 A520 A525 L526 E527	R519-R523 WeakPolarHBondContact O-CB 3.4Å; R519-R523 WeakPolarHBondContact O-CG 3.43Å; R519-R523 PolarHBondContact O-N 2.71Å; A520-R523 PolarHBondContact O-N 3.39Å; R523-A525 PolarHBondContact O-N 3.04Å; R523-L526 PolarHBondContact O-N 2.72Å; R523-E527 WeakPolarHBondContact O-CB 3.44Å; R523-E527 VanDerWaalsContact O-CG 3.25Å; R523-E527 WeakPolarHBondContact O-CG 3.44Å; R523-E527 PolarHBondContact O-N 3.25Å
524	K	58.9	Low	54	Low	129 Å²	129	104.1 Å²	104.1	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-62.2	-42.1	177.2	-167	-178.7	177.4	-170.6	0	112.3	A520 S521 E527 E528	A520-K524 WeakPolarHBondContact O-CB 3.12Å; A520-K524 PolarHBondContact O-N 3.35Å; S521-K524 PolarHBondContact O-N 3.24Å; K524-E527 PolarHBondContact O-N 3.17Å; K524-E528 WeakPolarHBondContact CE-OE1 3.41Å; K524-E528 WeakPolarHBondContact O-CB 3.42Å; K524-E528 WeakPolarHBondContact O-CG 3.35Å; K524-E528 PolarHBondContact O-N 3.46Å
525	A	59.5	Low	53.8	Low	40 Å²	40	103.6 Å²	103.6	33%	0.331	52%	0.517	S	S	.	.	H	α-helix	trans	-67	-37.7	176.5	0	0	0	0	0	112.1	S521 L522 R523 E528 I529	S521-A525 VanDerWaalsContact O-CB 3.29Å; S521-A525 WeakPolarHBondContact O-CB 3.37Å; S521-A525 PolarHBondContact O-N 3.11Å; L522-A525 PolarHBondContact O-N 3.08Å; R523-A525 PolarHBondContact O-N 3.04Å; A525-E528 PolarHBondContact O-N 2.98Å; A525-I529 WeakPolarHBondContact O-CB 3.41Å; A525-I529 WeakPolarHBondContact O-CD1 3.28Å; A525-I529 WeakPolarHBondContact O-CG1 3.38Å; A525-I529 PolarHBondContact O-N 3.2Å
526	L	57.1	Low	53.8	Low	82 Å²	82	102.9 Å²	102.9	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-44.5	173	-81.4	162.5	0	0	0	111	L522 R523 E528 I529 I530	L522-L526 VanDerWaalsContact O-CB 3.29Å; L522-L526 WeakPolarHBondContact O-CB 3.5Å; L522-L526 WeakPolarHBondContact O-CG 3.49Å; L522-L526 PolarHBondContact O-N 3.02Å; R523-L526 PolarHBondContact O-N 2.72Å; L526-E528 VanDerWaalsContact C-N 3.33Å; L526-E528 PolarHBondContact O-N 3.21Å; L526-I529 CarbonylContact O-C 3.56Å; L526-I529 PolarHBondContact O-N 3.46Å; L526-I529 VanDerWaalsContact O-N 3.16Å; L526-I530 HydrophobicContact CB-CD1 4.49Å; L526-I530 WeakPolarHBondContact O-CB 3.25Å; L526-I530 WeakPolarHBondContact O-CD1 3.28Å; L526-I530 WeakPolarHBondContact O-CG1 3.47Å; L526-I530 PolarHBondContact O-N 3.23Å
527	E	57.1	Low	53.5	Low	111 Å²	111	104.2 Å²	104.2	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-57.6	-44.5	173.6	-73.6	163	-168.8	0	0	110.8	R523 K524 I529 I530 D531	R523-E527 WeakPolarHBondContact O-CB 3.44Å; R523-E527 VanDerWaalsContact O-CG 3.25Å; R523-E527 WeakPolarHBondContact O-CG 3.44Å; R523-E527 PolarHBondContact O-N 3.25Å; K524-E527 PolarHBondContact O-N 3.17Å; E527-I529 PolarHBondContact O-N 3Å; E527-I530 PolarHBondContact O-N 3.29Å; E527-D531 WeakPolarHBondContact O-CB 3.34Å; E527-D531 PolarHBondContact O-N 3.12Å
528	E	57.4	Low	53.4	Low	101 Å²	101	98.9 Å²	98.9	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-34	175.1	-75.2	172.6	-169.5	0	0	113.2	K524 A525 L526 Q532	K524-E528 WeakPolarHBondContact CE-OE1 3.41Å; K524-E528 WeakPolarHBondContact O-CB 3.42Å; K524-E528 WeakPolarHBondContact O-CG 3.35Å; K524-E528 PolarHBondContact O-N 3.46Å; A525-E528 PolarHBondContact O-N 2.98Å; L526-E528 VanDerWaalsContact C-N 3.33Å; L526-E528 PolarHBondContact O-N 3.21Å; E528-Q532 WeakPolarHBondContact O-CG 3.23Å; E528-Q532 PolarHBondContact O-N 2.93Å
529	I	56.1	Low	52.9	Low	95 Å²	95	94 Å²	94	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-73.7	-36.9	174.3	-69.7	163.4	0	0	0	110.9	A525 L526 E527 Q532 S533	A525-I529 WeakPolarHBondContact O-CB 3.41Å; A525-I529 WeakPolarHBondContact O-CD1 3.28Å; A525-I529 WeakPolarHBondContact O-CG1 3.38Å; A525-I529 PolarHBondContact O-N 3.2Å; L526-I529 CarbonylContact O-C 3.56Å; L526-I529 PolarHBondContact O-N 3.46Å; L526-I529 VanDerWaalsContact O-N 3.16Å; E527-I529 PolarHBondContact O-N 3Å; I529-Q532 PolarHBondContact O-N 3.01Å; I529-S533 PolarHBondContact O-N 3.45Å; I529-S533 PolarHBondContact O-OG 2.94Å
530	I	53.5	Low	52.6	Low	24 Å²	24	94.1 Å²	94.1	12%	0.123	50%	0.495	C	S	.	.	H	α-helix	trans	-68	-40.9	177.3	-67.9	164	0	0	0	109.6	L526 E527 Q532 S533 L538 G541	L526-I530 HydrophobicContact CB-CD1 4.49Å; L526-I530 WeakPolarHBondContact O-CB 3.25Å; L526-I530 WeakPolarHBondContact O-CD1 3.28Å; L526-I530 WeakPolarHBondContact O-CG1 3.47Å; L526-I530 PolarHBondContact O-N 3.23Å; E527-I530 PolarHBondContact O-N 3.29Å; I530-Q532 PolarHBondContact O-N 3.28Å; I530-S533 WeakPolarHBondContact CA-OG 3.47Å; I530-S533 PolarHBondContact O-N 2.86Å; I530-S533 PolarHBondContact O-OG 2.86Å; I530-L538 WeakPolarHBondContact CG1-O 3.45Å; I530-G541 VanDerWaalsContact CD1-N 3.3Å
531	D	52.5	Low	52.6	Low	141 Å²	141	92.6 Å²	92.6	75%	0.754	48%	0.484	S	S	*	.	H	α-helix	trans	-64.7	-24.2	174.6	-79.4	-9.8	0	0	0	113.1	E527	E527-D531 WeakPolarHBondContact O-CB 3.34Å; E527-D531 PolarHBondContact O-N 3.12Å
532	Q	53.5	Low	53	Low	170 Å²	170	92.1 Å²	92.1	79%	0.794	48%	0.476	S	S	*	.	H	α-helix	trans	-93.7	-13.6	177.2	-71.5	178.2	20.9	0	0	113.9	E528 I529 I530	E528-Q532 WeakPolarHBondContact O-CG 3.23Å; E528-Q532 PolarHBondContact O-N 2.93Å; I529-Q532 PolarHBondContact O-N 3.01Å; I530-Q532 PolarHBondContact O-N 3.28Å
533	S	47.5	Very low	53.7	Low	31 Å²	31	91 Å²	91	22%	0.217	47%	0.465	C	S	.	.	S	Bend	trans	-102.4	138.9	176.7	46	0	0	0	0	109.2	I529 I530 E535	I529-S533 PolarHBondContact O-N 3.45Å; I529-S533 PolarHBondContact O-OG 2.94Å; I530-S533 WeakPolarHBondContact CA-OG 3.47Å; I530-S533 PolarHBondContact O-N 2.86Å; I530-S533 PolarHBondContact O-OG 2.86Å; S533-E535 PolarHBondContact O-N 3.25Å; S533-E535 VanDerWaalsContact O-N 3.1Å
534	D	46.1	Very low	54.3	Low	110 Å²	110	90.7 Å²	90.7	59%	0.588	47%	0.468	S	S	*	.			trans	-43.3	123	174.4	-157.8	-1.7	0	0	0	108.6	T536 L537	D534-T536 VanDerWaalsContact CG-OG1 3.27Å; D534-T536 PolarHBondContact O-N 3.26Å; D534-T536 PolarHBondContact OD2-OG1 3.4Å; D534-L537 HydrophobicContact CB-CD1 4.03Å; D534-L537 PolarHBondContact O-N 3.03Å
535	E	44.7	Very low	54.9	Low	161 Å²	161	86.9 Å²	86.9	75%	0.752	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-17.2	-173.8	-75.4	-173.9	163.4	0	0	112.3	S533 P539	S533-E535 PolarHBondContact O-N 3.25Å; S533-E535 VanDerWaalsContact O-N 3.1Å; E535-P539 VanDerWaalsContact O-CD 3.23Å; E535-P539 WeakPolarHBondContact O-CD 3.21Å; E535-P539 WeakPolarHBondContact O-CG 3.37Å
536	T	47.7	Very low	55.6	Low	104 Å²	104	86.7 Å²	86.7	64%	0.638	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.6	174.5	63.5	0	0	0	0	114.6	D534	D534-T536 VanDerWaalsContact CG-OG1 3.27Å; D534-T536 PolarHBondContact O-N 3.26Å; D534-T536 PolarHBondContact OD2-OG1 3.4Å
537	L	47.6	Very low	56.4	Low	92 Å²	92	84.5 Å²	84.5	48%	0.482	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-38.2	-170.8	-79.7	158.4	0	0	0	113.1	D534	D534-L537 HydrophobicContact CB-CD1 4.03Å; D534-L537 PolarHBondContact O-N 3.03Å
538	L	48	Very low	57.7	Low	70 Å²	70	86.9 Å²	86.9	37%	0.366	44%	0.442	S	S	.	.			trans	-156.2	61.8	-175.6	-75	170.4	0	0	0	114.2	I530 D540 L542	I530-L538 WeakPolarHBondContact CG1-O 3.45Å; L538-D540 PolarHBondContact O-N 3.21Å; L538-L542 HydrophobicContact CD2-CD1 4.49Å
539	P	43.3	Very low	59.1	Low	46 Å²	46	84.2 Å²	84.2	30%	0.299	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	130.6	176.9	25.8	-25.4	0	0	0	109.9	R410 E535	R410-P539 VanDerWaalsContact NH2-CD 3.31Å; R410-P539 PolarHBondContact NH2-O 3.17Å; E535-P539 VanDerWaalsContact O-CD 3.23Å; E535-P539 WeakPolarHBondContact O-CD 3.21Å; E535-P539 WeakPolarHBondContact O-CG 3.37Å
540	D	48	Very low	60.9	Low	130 Å²	130	79.7 Å²	79.7	70%	0.695	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	36.9	172.5	-58.6	-29.9	0	0	0	118.2	L538	L538-D540 PolarHBondContact O-N 3.21Å
541	G	53.6	Low	62.8	Low	17 Å²	17	78.6 Å²	78.6	18%	0.175	40%	0.404	C	S	.	.			trans	63.9	162	-178.8	0	0	0	0	0	112.7	I530 Y543	I530-G541 VanDerWaalsContact CD1-N 3.3Å; G541-Y543 VanDerWaalsContact C-N 3.31Å; G541-Y543 PolarHBondContact O-N 3.48Å
542	L	63.6	Low	64.8	Low	62 Å²	62	72 Å²	72	33%	0.325	37%	0.368	S	S	.	.	S	Bend	trans	-71.4	-27.6	-172.3	-164.9	66	0	0	0	112.8	L406 R410 L538	L406-L542 HydrophobicContact CD1-CD1 3.77Å; R410-L542 WeakPolarHBondContact CG-O 3.39Å; L538-L542 HydrophobicContact CD2-CD1 4.49Å
543	Y	73.3	Confident	66.8	Low	82 Å²	82	65 Å²	65	32%	0.322	34%	0.337	S	S	.	.	S	Bend	trans	-134.5	103	-172.6	-51.5	-47.8	0	0	0	111.6	L379 G413 G541	L379-Y543 HydrophobicContact CD1-CE1 4.41Å; L379-Y543 WeakPolarHBondContact CD1-OH 3.36Å; G413-Y543 VanDerWaalsContact CA-CD1 3.44Å; G541-Y543 VanDerWaalsContact C-N 3.31Å; G541-Y543 PolarHBondContact O-N 3.48Å
544	H	71	Confident	69	Low	107 Å²	107	63.8 Å²	63.8	50%	0.495	33%	0.327	S	S	.	.			trans	-84	120.4	-178.4	-177.6	78.7	0	0	0	112.3	M414 C546	M414-H544 WeakPolarHBondContact CG-O 3.42Å; M414-H544 HydrophobicContact SD-CB 4.43Å; H544-C546 VanDerWaalsContact CD2-SG 3.57Å; H544-C546 PolarHBondContact O-N 3.43Å
545	Y	70.7	Confident	71.4	Confident	49 Å²	49	58.5 Å²	58.5	19%	0.192	30%	0.299	C	S	.	.			trans	-77.5	111.8	179.7	178	-109.3	0	0	0	112.2	E421	E421-Y545 PolarHBondContact OE1-OH 3.33Å; E421-Y545 VanDerWaalsContact OE2-CE2 3.24Å; E421-Y545 WeakPolarHBondContact OE2-CE2 3.09Å; E421-Y545 PolarHBondContact OE2-OH 2.97Å
546	C	74.6	Confident	73.7	Confident	35 Å²	35	54.4 Å²	54.4	24%	0.236	28%	0.28	C	S	.	.			trans	-96.5	101.6	171.4	-66.8	0	0	0	0	111.3	H544 R548 T549	H544-C546 VanDerWaalsContact CD2-SG 3.57Å; H544-C546 PolarHBondContact O-N 3.43Å; C546-R548 VanDerWaalsContact C-N 3.33Å; C546-R548 PolarHBondContact O-N 2.87Å; C546-T549 VanDerWaalsContact CB-OG1 3.28Å; C546-T549 WeakPolarHBondContact CB-OG1 3.46Å
547	S	75.1	Confident	75.9	Confident	37 Å²	37	55 Å²	55	26%	0.259	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-39.4	-177.6	57.7	0	0	0	0	113.6	K418	K418-S547 PolarHBondContact NZ-O 3.37Å
548	R	83.6	Confident	78.1	Confident	161 Å²	161	54.9 Å²	54.9	61%	0.608	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-17.1	-172.6	-76.2	169.5	174.6	-130	10	115.1	E500 V501 C546	E500-R548 WeakPolarHBondContact CA-O 3.37Å; E500-R548 HydrophobicContact CG-CB 3.92Å; E500-R548 HydrophobicContact CG-CG 4.15Å; E500-R548 WeakPolarHBondContact OE1-CD 3.08Å; E500-R548 VanDerWaalsContact OE1-CG 3.23Å; E500-R548 WeakPolarHBondContact OE1-CG 3.17Å; E500-R548 IonicContact OE1-CZ 3.23Å; E500-R548 VanDerWaalsContact OE1-CZ 3.3Å; E500-R548 IonicContact OE1-NE 2.73Å; E500-R548 PolarHBondContact OE1-NE 3.01Å; E500-R548 IonicContact OE1-NH1 3.1Å; E500-R548 PolarHBondContact OE1-NH1 2.84Å; V501-R548 PolarHBondContact N-O 3.13Å; C546-R548 VanDerWaalsContact C-N 3.33Å; C546-R548 PolarHBondContact O-N 2.87Å
549	T	87.8	Confident	80.4	Confident	44 Å²	44	51.5 Å²	51.5	27%	0.27	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-76.8	137.1	-177.8	-51.2	0	0	0	0	110.8	K418 C546 D553 L554	K418-T549 WeakPolarHBondContact CE-O 3.29Å; C546-T549 VanDerWaalsContact CB-OG1 3.28Å; C546-T549 WeakPolarHBondContact CB-OG1 3.46Å; T549-D553 HydrophobicContact CG2-CB 4.22Å; T549-L554 HydrophobicContact CG2-CD1 4.49Å; T549-L554 HydrophobicContact CG2-CD2 3.86Å; T549-L554 HydrophobicContact CG2-CG 3.79Å
550	T	93.1	Very high	82.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	25%	0.253	C	S	.	.			trans	-80.8	158	178.4	80.1	0	0	0	0	111.7	Q494 R497 G499 V501 A552 D553 L554	Q494-T550 VanDerWaalsContact O-CG2 3.22Å; Q494-T550 WeakPolarHBondContact O-CG2 3.36Å; R497-T550 VanDerWaalsContact O-CB 3.23Å; R497-T550 WeakPolarHBondContact O-CB 3.47Å; R497-T550 VanDerWaalsContact O-CG2 3.32Å; R497-T550 WeakPolarHBondContact O-CG2 3.06Å; R497-T550 PolarHBondContact O-OG1 3.17Å; G499-T550 VanDerWaalsContact C-CG2 3.48Å; G499-T550 WeakPolarHBondContact O-CG2 3.44Å; V501-T550 HydrophobicContact CG2-CG2 4.08Å; T550-A552 VanDerWaalsContact C-N 3.26Å; T550-A552 PolarHBondContact O-N 3.26Å; T550-D553 PolarHBondContact O-N 3.36Å; T550-D553 PolarHBondContact OG1-N 3.15Å; T550-D553 VanDerWaalsContact OG1-N 3.11Å; T550-D553 PolarHBondContact OG1-OD2 3.27Å; T550-L554 WeakPolarHBondContact O-CG 3.43Å; T550-L554 PolarHBondContact O-N 3.3Å
551	L	93.7	Very high	85	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-35.2	175.5	-174	61.7	0	0	0	110.7	F285 T415 K418 L422 Y495 L554 I555	F285-L551 HydrophobicContact CD2-CD2 4.16Å; F285-L551 HydrophobicContact CD2-CG 4.26Å; F285-L551 HydrophobicContact CE2-CB 4.17Å; F285-L551 HydrophobicContact CE2-CD2 3.82Å; F285-L551 HydrophobicContact CE2-CG 3.77Å; T415-L551 HydrophobicContact CG2-CD1 3.61Å; K418-L551 HydrophobicContact CB-CD1 4.17Å; K418-L551 HydrophobicContact CG-CB 4.33Å; K418-L551 HydrophobicContact CG-CD1 4.41Å; L422-L551 HydrophobicContact CD2-CD2 3.93Å; Y495-L551 WeakPolarHBondContact O-CA 3.23Å; Y495-L551 VanDerWaalsContact O-CB 3.28Å; Y495-L551 WeakPolarHBondContact O-CB 3.05Å; Y495-L551 PolarHBondContact O-N 3.39Å; L551-L554 PolarHBondContact O-N 3.36Å; L551-I555 HydrophobicContact CD1-CD1 3.86Å; L551-I555 HydrophobicContact CD1-CG1 4.27Å; L551-I555 HydrophobicContact CD2-CD1 4.49Å; L551-I555 HydrophobicContact CG-CD1 3.83Å; L551-I555 WeakPolarHBondContact O-CG1 3.34Å; L551-I555 PolarHBondContact O-N 3.41Å
552	A	94.7	Very high	87	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-48.5	174.2	0	0	0	0	0	112.3	F285 Y495 I496 T550 L554 I555 Q556	F285-A552 HydrophobicContact CE1-CB 4.08Å; F285-A552 HydrophobicContact CZ-CB 3.76Å; Y495-A552 PolarHBondContact O-N 3.41Å; I496-A552 VanDerWaalsContact O-CB 3.31Å; I496-A552 WeakPolarHBondContact O-CB 3.4Å; T550-A552 VanDerWaalsContact C-N 3.26Å; T550-A552 PolarHBondContact O-N 3.26Å; A552-L554 VanDerWaalsContact C-N 3.3Å; A552-L554 PolarHBondContact O-N 2.83Å; A552-I555 PolarHBondContact O-N 2.78Å; A552-Q556 VanDerWaalsContact O-CB 3.3Å; A552-Q556 WeakPolarHBondContact O-CB 3.38Å; A552-Q556 PolarHBondContact O-N 2.69Å
553	D	94.3	Very high	88.5	Confident	25 Å²	25	47.1 Å²	47.1	13%	0.134	23%	0.225	C	C	.	.	I	π-helix	trans	-67.3	-33.3	-178.4	-70.7	-28.5	0	0	0	111.9	S498 G499 T549 T550 K557 K558	S498-D553 VanDerWaalsContact CB-OD1 3.29Å; S498-D553 WeakPolarHBondContact CB-OD1 3.13Å; S498-D553 PolarHBondContact OG-OD1 3.02Å; G499-D553 PolarHBondContact N-OD2 2.65Å; G499-D553 VanDerWaalsContact N-OD2 3.09Å; T549-D553 HydrophobicContact CG2-CB 4.22Å; T550-D553 PolarHBondContact O-N 3.36Å; T550-D553 PolarHBondContact OG1-N 3.15Å; T550-D553 VanDerWaalsContact OG1-N 3.11Å; T550-D553 PolarHBondContact OG1-OD2 3.27Å; D553-K557 WeakPolarHBondContact O-CB 3.44Å; D553-K557 PolarHBondContact O-N 3.21Å; D553-K557 WeakPolarHBondContact OD1-CD 3.24Å; D553-K557 VanDerWaalsContact OD1-CE 3.24Å; D553-K557 WeakPolarHBondContact OD1-CE 3.4Å; D553-K557 IonicContact OD1-NZ 3.65Å; D553-K557 PolarHBondContact OD1-NZ 3.36Å; D553-K558 PolarHBondContact O-N 3.38Å
554	L	94.5	Very high	89.5	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	23%	0.234	C	C	.	.	I	π-helix	trans	-66.4	-50.7	173.1	-69.1	173.1	0	0	0	112.2	M414 K418 T549 T550 L551 A552 K558 M559	M414-L554 HydrophobicContact CB-CD1 4.39Å; M414-L554 HydrophobicContact CB-CD2 4.29Å; K418-L554 HydrophobicContact CB-CD1 3.94Å; K418-L554 HydrophobicContact CG-CD1 4.22Å; T549-L554 HydrophobicContact CG2-CD1 4.49Å; T549-L554 HydrophobicContact CG2-CD2 3.86Å; T549-L554 HydrophobicContact CG2-CG 3.79Å; T550-L554 WeakPolarHBondContact O-CG 3.43Å; T550-L554 PolarHBondContact O-N 3.3Å; L551-L554 PolarHBondContact O-N 3.36Å; A552-L554 VanDerWaalsContact C-N 3.3Å; A552-L554 PolarHBondContact O-N 2.83Å; L554-K558 HydrophobicContact CD2-CD 4.24Å; L554-M559 WeakPolarHBondContact O-CB 3.43Å; L554-M559 PolarHBondContact O-N 2.8Å
555	I	95.7	Very high	90.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-75.2	-50.6	-174.9	-66.5	175.6	0	0	0	111.9	K278 L281 D282 F285 T415 L551 A552	K278-I555 WeakPolarHBondContact CE-O 3.4Å; K278-I555 PolarHBondContact NZ-O 2.77Å; L281-I555 HydrophobicContact CD1-CD1 4.38Å; L281-I555 HydrophobicContact CD2-CG2 4.22Å; L281-I555 HydrophobicContact CG-CG2 4.22Å; D282-I555 VanDerWaalsContact OD1-CG2 3.3Å; D282-I555 WeakPolarHBondContact OD1-CG2 3.4Å; F285-I555 HydrophobicContact CB-CD1 4.24Å; F285-I555 HydrophobicContact CD2-CD1 3.65Å; F285-I555 HydrophobicContact CE2-CD1 4.24Å; F285-I555 HydrophobicContact CG-CD1 4Å; T415-I555 HydrophobicContact CG2-CD1 3.91Å; T415-I555 HydrophobicContact CG2-CG1 3.46Å; T415-I555 VanDerWaalsContact CG2-CG1 3.46Å; L551-I555 HydrophobicContact CD1-CD1 3.86Å; L551-I555 HydrophobicContact CD1-CG1 4.27Å; L551-I555 HydrophobicContact CD2-CD1 4.49Å; L551-I555 HydrophobicContact CG-CD1 3.83Å; L551-I555 WeakPolarHBondContact O-CG1 3.34Å; L551-I555 PolarHBondContact O-N 3.41Å; A552-I555 PolarHBondContact O-N 2.78Å
556	Q	94	Very high	91.5	Very high	74 Å²	74	45.4 Å²	45.4	35%	0.346	22%	0.223	S	C	.	.	I	π-helix	trans	-88.5	-24.9	-168.1	-62.4	178.1	-26.4	0	0	113.1	F285 A552 N560	F285-Q556 HydrophobicContact CD1-CG 4.43Å; F285-Q556 HydrophobicContact CE1-CG 4.4Å; A552-Q556 VanDerWaalsContact O-CB 3.3Å; A552-Q556 WeakPolarHBondContact O-CB 3.38Å; A552-Q556 PolarHBondContact O-N 2.69Å; Q556-N560 PolarHBondContact O-ND2 3.45Å
557	K	93.9	Very high	92.4	Very high	118 Å²	118	44.4 Å²	44.4	51%	0.513	22%	0.215	S	C	.	.	I	π-helix	trans	-109.2	-67.3	-179.9	-58.4	177.4	-175.6	159.8	0	112	S498 D553 N560 C561	S498-K557 WeakPolarHBondContact OG-CE 3.37Å; S498-K557 PolarHBondContact OG-NZ 3.23Å; D553-K557 WeakPolarHBondContact O-CB 3.44Å; D553-K557 PolarHBondContact O-N 3.21Å; D553-K557 WeakPolarHBondContact OD1-CD 3.24Å; D553-K557 VanDerWaalsContact OD1-CE 3.24Å; D553-K557 WeakPolarHBondContact OD1-CE 3.4Å; D553-K557 IonicContact OD1-NZ 3.65Å; D553-K557 PolarHBondContact OD1-NZ 3.36Å; K557-N560 PolarHBondContact O-N 2.98Å; K557-C561 PolarHBondContact O-N 2.65Å
558	K	93.7	Very high	93.1	Very high	88 Å²	88	47.2 Å²	47.2	38%	0.383	22%	0.223	S	C	.	.	I	π-helix	trans	-63.5	-52.3	-170.9	-169.1	170.9	-179.4	166.6	0	111.9	T411 M414 D553 L554 N560 C561 E562	T411-K558 HydrophobicContact CG2-CB 4.09Å; T411-K558 HydrophobicContact CG2-CD 4.08Å; T411-K558 HydrophobicContact CG2-CG 3.82Å; T411-K558 WeakPolarHBondContact OG1-CE 3.47Å; M414-K558 HydrophobicContact CE-CD 4.33Å; M414-K558 VanDerWaalsContact CE-NZ 3.34Å; D553-K558 PolarHBondContact O-N 3.38Å; L554-K558 HydrophobicContact CD2-CD 4.24Å; K558-N560 VanDerWaalsContact C-N 3.33Å; K558-N560 PolarHBondContact O-N 3.24Å; K558-C561 WeakPolarHBondContact O-CB 3.27Å; K558-C561 PolarHBondContact O-N 3.37Å; K558-C561 VanDerWaalsContact O-N 3.13Å; K558-E562 WeakPolarHBondContact O-CG 3.45Å; K558-E562 PolarHBondContact O-N 2.56Å
559	M	95.9	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-39.4	179.8	-171.4	-179.5	-63.8	0	0	112.2	K278 L281 L375 L378 L408 T411 I412 T415 L554 C561 E562 I563	K278-M559 HydrophobicContact CD-CG 4.31Å; K278-M559 HydrophobicContact CD-SD 3.69Å; K278-M559 VanDerWaalsContact CE-SD 3.57Å; L281-M559 HydrophobicContact CD2-CE 4.23Å; L281-M559 HydrophobicContact CD2-SD 3.78Å; L375-M559 HydrophobicContact CD2-CE 3.82Å; L378-M559 HydrophobicContact CD1-SD 3.94Å; L408-M559 HydrophobicContact CD1-CG 3.89Å; T411-M559 HydrophobicContact CG2-CB 3.95Å; I412-M559 HydrophobicContact CG1-CE 3.92Å; T415-M559 HydrophobicContact CG2-CE 4.25Å; T415-M559 WeakPolarHBondContact OG1-CE 3.48Å; L554-M559 WeakPolarHBondContact O-CB 3.43Å; L554-M559 PolarHBondContact O-N 2.8Å; M559-C561 VanDerWaalsContact C-N 3.33Å; M559-C561 PolarHBondContact O-N 2.81Å; M559-E562 PolarHBondContact O-N 3.09Å; M559-I563 HydrophobicContact CG-CD1 3.87Å; M559-I563 HydrophobicContact CG-CG1 4.41Å; M559-I563 WeakPolarHBondContact O-CB 3.12Å; M559-I563 VanDerWaalsContact O-CG1 3.24Å; M559-I563 WeakPolarHBondContact O-CG1 3.31Å; M559-I563 PolarHBondContact O-N 3.48Å
560	N	94.7	Very high	92.6	Very high	58 Å²	58	41.8 Å²	41.8	31%	0.31	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-39.3	174.9	-83.3	-20.5	0	0	0	112.4	K278 Q556 K557 K558 K564	K278-N560 WeakPolarHBondContact CE-OD1 3.42Å; K278-N560 PolarHBondContact NZ-OD1 2.97Å; Q556-N560 PolarHBondContact O-ND2 3.45Å; K557-N560 PolarHBondContact O-N 2.98Å; K558-N560 VanDerWaalsContact C-N 3.33Å; K558-N560 PolarHBondContact O-N 3.24Å; N560-K564 WeakPolarHBondContact O-CB 3.19Å; N560-K564 PolarHBondContact O-N 3.36Å
561	C	94.6	Very high	91.2	Very high	63 Å²	63	50.6 Å²	50.6	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-47.7	175	-169.3	0	0	0	0	111.6	K557 K558 M559 K564 N565	K557-C561 PolarHBondContact O-N 2.65Å; K558-C561 WeakPolarHBondContact O-CB 3.27Å; K558-C561 PolarHBondContact O-N 3.37Å; K558-C561 VanDerWaalsContact O-N 3.13Å; M559-C561 VanDerWaalsContact C-N 3.33Å; M559-C561 PolarHBondContact O-N 2.81Å; C561-K564 WeakPolarHBondContact O-CB 3.42Å; C561-K564 PolarHBondContact O-N 3.17Å; C561-N565 VanDerWaalsContact O-CG 3.26Å; C561-N565 PolarHBondContact O-N 3.4Å; C561-N565 PolarHBondContact O-ND2 3.28Å; C561-N565 PolarHBondContact O-OD1 2.76Å
562	E	94.2	Very high	89.5	Confident	30 Å²	30	56.9 Å²	56.9	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-39.5	-179.7	-61.8	-57.4	167.4	0	0	112.6	L408 K558 M559 K564 N565 L566	L408-E562 HydrophobicContact CB-CB 4.02Å; L408-E562 HydrophobicContact CD1-CB 3.94Å; K558-E562 WeakPolarHBondContact O-CG 3.45Å; K558-E562 PolarHBondContact O-N 2.56Å; M559-E562 PolarHBondContact O-N 3.09Å; E562-K564 VanDerWaalsContact C-N 3.3Å; E562-K564 PolarHBondContact O-N 2.94Å; E562-N565 PolarHBondContact O-N 3.47Å; E562-L566 PolarHBondContact O-N 2.86Å
563	I	95.8	Very high	87.6	Confident	11 Å²	11	66 Å²	66	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-42.2	172.3	-70.7	170.6	0	0	0	110.3	I274 K278 L408 M559 N565 L566 I567	I274-I563 HydrophobicContact CG2-CD1 4Å; I274-I563 HydrophobicContact CG2-CG1 3.98Å; I274-I563 HydrophobicContact CG2-CG2 4.25Å; K278-I563 HydrophobicContact CB-CD1 3.93Å; K278-I563 HydrophobicContact CD-CD1 3.94Å; K278-I563 HydrophobicContact CG-CD1 3.7Å; L408-I563 HydrophobicContact CD1-CD1 4.48Å; L408-I563 HydrophobicContact CD1-CG1 3.76Å; L408-I563 HydrophobicContact CD2-CG1 3.8Å; L408-I563 HydrophobicContact CG-CG1 4.47Å; M559-I563 HydrophobicContact CG-CD1 3.87Å; M559-I563 HydrophobicContact CG-CG1 4.41Å; M559-I563 WeakPolarHBondContact O-CB 3.12Å; M559-I563 VanDerWaalsContact O-CG1 3.24Å; M559-I563 WeakPolarHBondContact O-CG1 3.31Å; M559-I563 PolarHBondContact O-N 3.48Å; I563-N565 VanDerWaalsContact C-N 3.35Å; I563-N565 PolarHBondContact O-N 3.04Å; I563-L566 PolarHBondContact O-N 2.89Å; I563-I567 HydrophobicContact CG2-CD1 3.51Å; I563-I567 HydrophobicContact CG2-CG1 4.28Å; I563-I567 WeakPolarHBondContact O-CB 3.2Å; I563-I567 VanDerWaalsContact O-CG1 3.25Å; I563-I567 WeakPolarHBondContact O-CG1 3.49Å; I563-I567 PolarHBondContact O-N 3.32Å
564	K	93.7	Very high	85.9	Confident	117 Å²	117	67 Å²	67	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-42.2	176.7	-175.5	-175.5	173.9	-171.8	0	111.4	N560 C561 E562 L566 I567 K568	N560-K564 WeakPolarHBondContact O-CB 3.19Å; N560-K564 PolarHBondContact O-N 3.36Å; C561-K564 WeakPolarHBondContact O-CB 3.42Å; C561-K564 PolarHBondContact O-N 3.17Å; E562-K564 VanDerWaalsContact C-N 3.3Å; E562-K564 PolarHBondContact O-N 2.94Å; K564-L566 VanDerWaalsContact C-N 3.3Å; K564-L566 PolarHBondContact O-N 2.9Å; K564-I567 PolarHBondContact O-N 3.21Å; K564-K568 HydrophobicContact CD-CD 4.34Å; K564-K568 HydrophobicContact CG-CB 4.47Å; K564-K568 HydrophobicContact CG-CD 3.74Å; K564-K568 HydrophobicContact CG-CG 3.88Å; K564-K568 VanDerWaalsContact O-CB 3.3Å; K564-K568 WeakPolarHBondContact O-CB 3.22Å; K564-K568 PolarHBondContact O-N 3.43Å
565	N	92	Very high	84.5	Confident	82 Å²	82	67.6 Å²	67.6	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-35.9	177.7	-67.4	-17.8	0	0	0	112.4	C561 E562 I563	C561-N565 VanDerWaalsContact O-CG 3.26Å; C561-N565 PolarHBondContact O-N 3.4Å; C561-N565 PolarHBondContact O-ND2 3.28Å; C561-N565 PolarHBondContact O-OD1 2.76Å; E562-N565 PolarHBondContact O-N 3.47Å; I563-N565 VanDerWaalsContact C-N 3.35Å; I563-N565 PolarHBondContact O-N 3.04Å
566	L	92.3	Very high	83.5	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-40.7	176.7	-175.3	65.8	0	0	0	112.3	I274 V385 L389 I400 A405 L408 E562 I563 K564 R577	I274-L566 HydrophobicContact CD1-CD2 4.11Å; V385-L566 HydrophobicContact CG1-CD1 3.97Å; V385-L566 HydrophobicContact CG1-CD2 4.29Å; L389-L566 HydrophobicContact CD1-CD1 4.36Å; I400-L566 HydrophobicContact CG2-CD1 4.14Å; A405-L566 HydrophobicContact CB-CD1 4.46Å; L408-L566 HydrophobicContact CD2-CD2 4.04Å; E562-L566 PolarHBondContact O-N 2.86Å; I563-L566 PolarHBondContact O-N 2.89Å; K564-L566 VanDerWaalsContact C-N 3.3Å; K564-L566 PolarHBondContact O-N 2.9Å; L566-R577 PolarHBondContact O-NH2 2.98Å
567	I	92.8	Very high	82.7	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.067	33%	0.33	C	S	.	.	H	α-helix	trans	-89.2	-38.3	-168.8	-66.4	-177.8	0	0	0	112.8	V196 E198 A271 I563 K564	V196-I567 HydrophobicContact CG1-CD1 3.94Å; V196-I567 HydrophobicContact CG1-CG2 3.93Å; V196-I567 WeakPolarHBondContact O-CG2 3.49Å; E198-I567 PolarHBondContact N-O 2.95Å; A271-I567 HydrophobicContact CB-CD1 4.17Å; A271-I567 HydrophobicContact CB-CG1 3.98Å; I563-I567 HydrophobicContact CG2-CD1 3.51Å; I563-I567 HydrophobicContact CG2-CG1 4.28Å; I563-I567 WeakPolarHBondContact O-CB 3.2Å; I563-I567 VanDerWaalsContact O-CG1 3.25Å; I563-I567 WeakPolarHBondContact O-CG1 3.49Å; I563-I567 PolarHBondContact O-N 3.32Å; K564-I567 PolarHBondContact O-N 3.21Å
568	K	89.9	Confident	81.5	Confident	96 Å²	96	61.2 Å²	61.2	42%	0.417	32%	0.32	S	S	.	.	S	Bend	trans	-86.8	160.5	-176.6	-65.7	-155.3	176.5	-156	0	112.5	E198 K564 R577	E198-K568 WeakPolarHBondContact OE2-CA 3.45Å; K564-K568 HydrophobicContact CD-CD 4.34Å; K564-K568 HydrophobicContact CG-CB 4.47Å; K564-K568 HydrophobicContact CG-CD 3.74Å; K564-K568 HydrophobicContact CG-CG 3.88Å; K564-K568 VanDerWaalsContact O-CB 3.3Å; K564-K568 WeakPolarHBondContact O-CB 3.22Å; K564-K568 PolarHBondContact O-N 3.43Å; K568-R577 PolarHBondContact O-NH2 3.43Å
569	L	83.6	Confident	80.6	Confident	18 Å²	18	57 Å²	57	9%	0.094	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-73.5	149.9	169.2	-66.4	167.3	0	0	0	110.9	E198 A201 T575 R577	E198-L569 HydrophobicContact CB-CG 4.13Å; E198-L569 HydrophobicContact CG-CB 4.48Å; E198-L569 HydrophobicContact CG-CD1 3.64Å; E198-L569 HydrophobicContact CG-CG 3.73Å; E198-L569 PolarHBondContact OE2-N 3.38Å; E198-L569 VanDerWaalsContact OE2-N 3.09Å; A201-L569 HydrophobicContact CB-CD1 3.64Å; A201-L569 VanDerWaalsContact N-CD1 3.29Å; L569-T575 WeakPolarHBondContact CD1-O 3.35Å; L569-T575 HydrophobicContact CD2-CG2 3.95Å; L569-R577 HydrophobicContact CD2-CG 3.64Å
570	P	77.4	Confident	79.7	Confident	73 Å²	73	57.7 Å²	57.7	47%	0.474	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-52.3	146.4	163.3	-21.6	32	0	0	0	110.6	D572	P570-D572 PolarHBondContact O-N 3.45Å
571	L	64.7	Low	78.7	Confident	187 Å²	187	57.2 Å²	57.2	98%	0.979	30%	0.303	S	S	*	.	S	Bend	trans	-68.5	2.9	-174.6	-81	142.6	0	0	0	114.7
572	D	57.6	Low	77.6	Confident	133 Å²	133	55.1 Å²	55.1	71%	0.711	29%	0.287	S	S	*	.	S	Bend	trans	-85	156.2	-177.1	-76.2	-29.6	0	0	0	113.5	P570 T575	P570-D572 PolarHBondContact O-N 3.45Å; D572-T575 PolarHBondContact O-OG1 3.41Å
573	K	55.2	Low	76.5	Confident	193 Å²	193	58.6 Å²	58.6	84%	0.839	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	132.9	-170	-66.8	179	179.8	178.1	0	113	T575	K573-T575 PolarHBondContact O-N 2.97Å
574	S	57.7	Low	75.1	Confident	44 Å²	44	60.3 Å²	60.3	31%	0.308	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	32.9	64.7	175.1	64.6	0	0	0	0	114.3	A201	A201-S574 WeakPolarHBondContact O-CA 3.49Å
575	T	65.7	Low	74.3	Confident	18 Å²	18	55.2 Å²	55.2	11%	0.11	31%	0.305	C	S	.	.			trans	-82.5	128.1	177.9	-51.4	0	0	0	0	109.7	A201 L569 D572 K573	A201-T575 PolarHBondContact N-O 3.32Å; A201-T575 VanDerWaalsContact N-O 3.12Å; L569-T575 WeakPolarHBondContact CD1-O 3.35Å; L569-T575 HydrophobicContact CD2-CG2 3.95Å; D572-T575 PolarHBondContact O-OG1 3.41Å; K573-T575 PolarHBondContact O-N 2.97Å
576	I	73.4	Confident	73.6	Confident	22 Å²	22	52.1 Å²	52.1	11%	0.113	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-126.3	127.6	174.7	-60.3	166.2	0	0	0	105.7	A200 G578 C579 L580 I582	A200-I576 HydrophobicContact CB-CB 4.37Å; A200-I576 HydrophobicContact CB-CG1 4.15Å; A200-I576 HydrophobicContact CB-CG2 4.1Å; I576-G578 PolarHBondContact O-N 2.94Å; I576-C579 HydrophobicContact CG2-CB 4.39Å; I576-C579 WeakPolarHBondContact CG2-SG 3.42Å; I576-L580 HydrophobicContact CD1-CB 3.81Å; I576-L580 HydrophobicContact CD1-CD1 4.45Å; I576-L580 HydrophobicContact CG2-CB 3.86Å; I576-L580 HydrophobicContact CG2-CG 4.24Å; I576-L580 VanDerWaalsContact CG2-N 3.29Å; I576-I582 HydrophobicContact CD1-CD1 3.09Å; I576-I582 HydrophobicContact CD1-CG1 3.45Å; I576-I582 VanDerWaalsContact CD1-CG1 3.45Å; I576-I582 HydrophobicContact CG1-CD1 4.24Å
577	R	78.2	Confident	72.9	Confident	7 Å²	7	53 Å²	53	3%	0.026	29%	0.292	C	S	.	.	S	Bend	trans	-73.8	55.5	173.7	-62.1	-177.7	174.4	-173.4	-6.6	110.8	E198 I199 L398 I400 L566 K568 L569 C579	E198-R577 PolarHBondContact O-NE 3.42Å; I199-R577 WeakPolarHBondContact O-CB 3.35Å; I199-R577 WeakPolarHBondContact O-CG 3.47Å; I199-R577 PolarHBondContact O-N 3.11Å; I199-R577 VanDerWaalsContact O-N 3.14Å; L398-R577 HydrophobicContact CB-CB 4.36Å; L398-R577 HydrophobicContact CD2-CB 4.18Å; L398-R577 WeakPolarHBondContact CD2-O 3.46Å; L398-R577 WeakPolarHBondContact O-CG 3.44Å; I400-R577 VanDerWaalsContact CD1-NH1 3.33Å; L566-R577 PolarHBondContact O-NH2 2.98Å; K568-R577 PolarHBondContact O-NH2 3.43Å; L569-R577 HydrophobicContact CD2-CG 3.64Å; R577-C579 PolarHBondContact O-N 3.1Å
578	G	68.9	Low	72.3	Confident	29 Å²	29	52.6 Å²	52.6	30%	0.299	29%	0.29	S	S	.	.	S	Bend	trans	65.5	1.8	180	0	0	0	0	0	116.6	G256 I576	G256-G578 VanDerWaalsContact CA-O 3.31Å; G256-G578 WeakPolarHBondContact CA-O 3.38Å; I576-G578 PolarHBondContact O-N 2.94Å
579	C	74.6	Confident	71.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.			trans	-82.7	-25.6	-167.7	65.4	0	0	0	0	116.1	I199 C254 G256 F257 L264 I576 R577	I199-C579 HydrophobicContact CG2-CB 4.03Å; I199-C579 VanDerWaalsContact CG2-SG 3.5Å; C254-C579 CarbonylContact C-O 3.51Å; G256-C579 PolarHBondContact N-O 3.47Å; F257-C579 HydrophobicContact CD2-CB 3.96Å; F257-C579 HydrophobicContact CE2-CB 3.86Å; F257-C579 HydrophobicContact CG-CB 4.37Å; F257-C579 HydrophobicContact CZ-CB 4.15Å; F257-C579 PolarHBondContact N-O 3.42Å; L264-C579 HydrophobicContact CD1-CB 3.93Å; I576-C579 HydrophobicContact CG2-CB 4.39Å; I576-C579 WeakPolarHBondContact CG2-SG 3.42Å; R577-C579 PolarHBondContact O-N 3.1Å
580	L	76.6	Confident	71.4	Confident	13 Å²	13	47.8 Å²	47.8	7%	0.068	27%	0.269	C	S	.	.			trans	-119.9	134.2	-178.5	-58.6	173	0	0	0	109.4	F191 A200 L232 I252 C254 F257 I576	F191-L580 HydrophobicContact CD2-CD1 4.04Å; F191-L580 HydrophobicContact CE2-CD1 3.82Å; A200-L580 HydrophobicContact CB-CD1 4Å; L232-L580 HydrophobicContact CD2-CD2 4.32Å; I252-L580 HydrophobicContact CG2-CB 4.41Å; I252-L580 HydrophobicContact CG2-CD2 4.48Å; C254-L580 HydrophobicContact CB-CD2 4.38Å; C254-L580 WeakPolarHBondContact SG-CD2 3.48Å; F257-L580 HydrophobicContact CD2-CD2 4.49Å; F257-L580 HydrophobicContact CE2-CD2 4.19Å; I576-L580 HydrophobicContact CD1-CB 3.81Å; I576-L580 HydrophobicContact CD1-CD1 4.45Å; I576-L580 HydrophobicContact CG2-CB 3.86Å; I576-L580 HydrophobicContact CG2-CG 4.24Å; I576-L580 VanDerWaalsContact CG2-N 3.29Å
581	D	74	Confident	71.3	Confident	48 Å²	48	44.6 Å²	44.6	26%	0.257	25%	0.248	S	C	.	.			trans	-100.2	81.4	172.1	-172.8	-2.7	0	0	0	109.7	P253 S583 C584	P253-D581 HydrophobicContact CB-CB 4.4Å; P253-D581 PolarHBondContact O-N 3.38Å; D581-S583 PolarHBondContact O-N 3.49Å; D581-S583 WeakPolarHBondContact OD1-CB 3.37Å; D581-S583 PolarHBondContact OD1-N 3.09Å; D581-S583 VanDerWaalsContact OD1-N 3.17Å; D581-S583 PolarHBondContact OD1-OG 3.34Å; D581-C584 PolarHBondContact O-N 2.89Å; D581-C584 PolarHBondContact OD1-N 2.9Å; D581-C584 PolarHBondContact OD2-SG 2.77Å
582	I	72.3	Confident	71.7	Confident	19 Å²	19	38.9 Å²	38.9	10%	0.097	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.4	-30.7	177.4	-57.8	163.3	0	0	0	110.9	Y202 I576 C584 Q585	Y202-I582 HydrophobicContact CD2-CD1 3.19Å; Y202-I582 HydrophobicContact CD2-CG1 3.84Å; Y202-I582 HydrophobicContact CD2-CG2 4.49Å; Y202-I582 HydrophobicContact CE2-CB 4.38Å; Y202-I582 HydrophobicContact CE2-CD1 3.38Å; Y202-I582 HydrophobicContact CE2-CG1 3.8Å; Y202-I582 HydrophobicContact CE2-CG2 3.62Å; Y202-I582 HydrophobicContact CG-CD1 3.99Å; Y202-I582 HydrophobicContact CG-CG1 4.31Å; Y202-I582 WeakPolarHBondContact OH-CG2 3.1Å; I576-I582 HydrophobicContact CD1-CD1 3.09Å; I576-I582 HydrophobicContact CD1-CG1 3.45Å; I576-I582 VanDerWaalsContact CD1-CG1 3.45Å; I576-I582 HydrophobicContact CG1-CD1 4.24Å; I582-C584 PolarHBondContact O-N 3.21Å; I582-Q585 WeakPolarHBondContact O-CB 3.27Å; I582-Q585 PolarHBondContact O-N 2.76Å
583	S	69.6	Low	72.1	Confident	103 Å²	103	33.3 Å²	33.3	72%	0.72	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-63.6	-26.9	-175	77.1	0	0	0	0	112.5	D581	D581-S583 PolarHBondContact O-N 3.49Å; D581-S583 WeakPolarHBondContact OD1-CB 3.37Å; D581-S583 PolarHBondContact OD1-N 3.09Å; D581-S583 VanDerWaalsContact OD1-N 3.17Å; D581-S583 PolarHBondContact OD1-OG 3.34Å
584	C	67.8	Low	72.4	Confident	48 Å²	48	32.5 Å²	32.5	32%	0.324	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-96.9	13.8	177.1	-65.8	0	0	0	0	113.8	P253 D581 I582 T586	P253-C584 HydrophobicContact CG-CB 3.87Å; D581-C584 PolarHBondContact O-N 2.89Å; D581-C584 PolarHBondContact OD1-N 2.9Å; D581-C584 PolarHBondContact OD2-SG 2.77Å; I582-C584 PolarHBondContact O-N 3.21Å; C584-T586 PolarHBondContact O-N 3.23Å
585	Q	75.9	Confident	72.4	Confident	10 Å²	10	31.4 Å²	31.4	5%	0.047	19%	0.186	C	C	.	.			trans	-63.3	134.6	179.2	176.2	179.8	-24.5	0	0	112	Y202 H250 K251 I252 I582	Y202-Q585 PolarHBondContact OH-OE1 2.87Å; H250-Q585 HydrophobicContact CB-CG 4.43Å; H250-Q585 VanDerWaalsContact CG-NE2 3.31Å; H250-Q585 PolarHBondContact ND1-NE2 2.92Å; K251-Q585 WeakPolarHBondContact O-CA 3.31Å; I252-Q585 HydrophobicContact CG1-CB 4.21Å; I252-Q585 HydrophobicContact CG1-CG 3.76Å; I582-Q585 WeakPolarHBondContact O-CB 3.27Å; I582-Q585 PolarHBondContact O-N 2.76Å
586	T	77.6	Confident	71.8	Confident	16 Å²	16	34 Å²	34	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.9	172.7	62.8	0	0	0	0	110.5	H250 K251 C584 S663	H250-T586 CarbonylContact C-O 3.58Å; H250-T586 WeakPolarHBondContact CA-O 3.43Å; K251-T586 WeakPolarHBondContact CB-OG1 3.26Å; K251-T586 PolarHBondContact N-O 3.35Å; K251-T586 PolarHBondContact O-N 2.81Å; C584-T586 PolarHBondContact O-N 3.23Å; T586-S663 VanDerWaalsContact CG2-O 3.24Å; T586-S663 WeakPolarHBondContact CG2-O 3.3Å
587	R	77	Confident	70.8	Confident	22 Å²	22	37.3 Å²	37.3	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.1	-179	-49	-173.9	174.2	153.6	4.3	110.3	T208 L209 V248 C249 H250 I784	T208-R587 PolarHBondContact O-NH2 2.93Å; L209-R587 PolarHBondContact O-NH1 3.25Å; V248-R587 HydrophobicContact CG1-CB 3.96Å; C249-R587 WeakPolarHBondContact O-CA 3.34Å; H250-R587 PolarHBondContact CE1-NE 2.88Å; H250-R587 WeakPolarHBondContact ND1-CD 3.13Å; H250-R587 WeakPolarHBondContact ND1-CG 3.5Å; H250-R587 PolarHBondContact ND1-NE 3.43Å; R587-I784 HydrophobicContact CB-CG2 3.71Å; R587-I784 HydrophobicContact CG-CG2 3.84Å
588	Q	80.4	Confident	69.6	Low	6 Å²	6	37.7 Å²	37.7	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	174.5	178	64.8	51.2	0	0	108.7	V248 C249 L590 F665 N786 E787 I789	V248-Q588 WeakPolarHBondContact CA-O 3.48Å; C249-Q588 PolarHBondContact N-O 2.83Å; C249-Q588 PolarHBondContact O-N 3.36Å; Q588-L590 HydrophobicContact CG-CD2 4.23Å; Q588-L590 PolarHBondContact O-N 2.96Å; Q588-F665 HydrophobicContact CB-CB 4.34Å; Q588-F665 HydrophobicContact CB-CD1 3.79Å; Q588-F665 HydrophobicContact CB-CD2 3.97Å; Q588-F665 HydrophobicContact CB-CE1 3.98Å; Q588-F665 HydrophobicContact CB-CE2 4.17Å; Q588-F665 HydrophobicContact CB-CG 3.78Å; Q588-F665 HydrophobicContact CB-CZ 4.17Å; Q588-F665 HydrophobicContact CG-CD1 3.68Å; Q588-F665 HydrophobicContact CG-CE1 3.78Å; Q588-F665 HydrophobicContact CG-CG 4.18Å; Q588-F665 HydrophobicContact CG-CZ 4.39Å; Q588-N786 PolarHBondContact OE1-ND2 2.64Å; Q588-E787 PolarHBondContact NE2-O 3.07Å; Q588-I789 HydrophobicContact CG-CD1 4.12Å
589	I	78.2	Confident	68.7	Low	11 Å²	11	38.2 Å²	38.2	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.8	167.5	-62.2	-175.7	0	0	0	108	L212 Y246 V248 T592 V785 N786	L212-I589 HydrophobicContact CD2-CD1 4.38Å; Y246-I589 HydrophobicContact CD1-CD1 3.8Å; Y246-I589 HydrophobicContact CD1-CG2 4.38Å; Y246-I589 HydrophobicContact CE1-CD1 3.78Å; V248-I589 HydrophobicContact CG2-CG1 4.29Å; I589-T592 HydrophobicContact CD1-CG2 4.46Å; I589-T592 HydrophobicContact CG2-CG2 3.61Å; I589-V785 HydrophobicContact CD1-CG1 3.06Å; I589-V785 HydrophobicContact CG1-CG1 3.55Å; I589-N786 WeakPolarHBondContact CB-O 3.32Å
590	L	77.3	Confident	67.3	Low	1 Å²	1	44 Å²	44	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-45.9	173.5	-59.9	-175.4	0	0	0	111.1	T235 V247 C249 Q588 L605 M637 Y639 I789	T235-L590 HydrophobicContact CG2-CD1 3.82Å; V247-L590 HydrophobicContact CB-CB 4.39Å; V247-L590 HydrophobicContact CG1-CB 4.22Å; V247-L590 HydrophobicContact CG1-CD1 4.23Å; V247-L590 PolarHBondContact O-N 3.43Å; C249-L590 HydrophobicContact CB-CD1 3.89Å; C249-L590 HydrophobicContact CB-CD2 4.07Å; C249-L590 HydrophobicContact CB-CG 3.89Å; Q588-L590 HydrophobicContact CG-CD2 4.23Å; Q588-L590 PolarHBondContact O-N 2.96Å; L590-L605 HydrophobicContact CD1-CD1 4.03Å; L590-M637 HydrophobicContact CD1-SD 4.02Å; L590-Y639 HydrophobicContact CB-CE2 4.09Å; L590-I789 HydrophobicContact CD2-CD1 3.76Å
591	L	74.5	Confident	66.1	Low	7 Å²	7	47 Å²	47	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142.4	-176.5	174.6	74.9	0	0	0	110.2	F245 V247 V603 M641	F245-L591 HydrophobicContact CD1-CD2 4.26Å; F245-L591 HydrophobicContact CE1-CD2 3.9Å; V247-L591 HydrophobicContact CB-CB 4Å; V247-L591 HydrophobicContact CG2-CB 3.92Å; V247-L591 HydrophobicContact CG2-CD2 3.98Å; V247-L591 HydrophobicContact CG2-CG 4.43Å; V247-L591 PolarHBondContact N-O 3.38Å; V247-L591 PolarHBondContact O-N 2.86Å; L591-V603 HydrophobicContact CD2-CG2 4.33Å; L591-M641 HydrophobicContact CB-CE 4.39Å; L591-M641 HydrophobicContact CB-SD 4.03Å; L591-M641 HydrophobicContact CD1-CB 4.42Å; L591-M641 HydrophobicContact CD1-CE 3.29Å; L591-M641 HydrophobicContact CD1-SD 3.49Å; L591-M641 WeakPolarHBondContact CD1-SD 3.26Å; L591-M641 HydrophobicContact CG-CE 4.42Å; L591-M641 HydrophobicContact CG-SD 4.27Å
592	T	72.3	Confident	65.4	Low	67 Å²	67	45.8 Å²	45.8	41%	0.411	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.5	162.5	63.4	0	0	0	0	108.9	F245 Y246 I589	F245-T592 CarbonylContact O-C 3.58Å; F245-T592 VanDerWaalsContact O-CA 3.27Å; F245-T592 WeakPolarHBondContact O-CA 3.35Å; Y246-T592 HydrophobicContact CD1-CG2 3.67Å; Y246-T592 HydrophobicContact CE1-CG2 3.52Å; I589-T592 HydrophobicContact CD1-CG2 4.46Å; I589-T592 HydrophobicContact CG2-CG2 3.61Å
593	G	67.8	Low	65.2	Low	15 Å²	15	46.1 Å²	46.1	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	150	178	0	0	0	0	0	112.7	F245	F245-G593 PolarHBondContact N-O 3.03Å; F245-G593 PolarHBondContact O-N 2.89Å
594	E	60.8	Low	65.5	Low	177 Å²	177	43.6 Å²	43.6	83%	0.827	25%	0.251	S	S	*	.	S	Bend	trans	-88.9	-13.9	-178.5	-64.1	-178.4	168.3	0	0	113.1
595	S	57.3	Low	66.1	Low	21 Å²	21	42.6 Å²	42.6	15%	0.147	24%	0.242	C	C	.	.			trans	-99.9	117.9	-173.3	-173.1	0	0	0	0	111.5	N597 L598 E644	S595-N597 PolarHBondContact O-N 3.36Å; S595-N597 VanDerWaalsContact O-N 3.09Å; S595-N597 WeakPolarHBondContact OG-CB 3.41Å; S595-L598 WeakPolarHBondContact O-CB 3.38Å; S595-L598 PolarHBondContact O-N 3.42Å; S595-L598 VanDerWaalsContact O-N 3.14Å; S595-E644 WeakPolarHBondContact CB-OE1 3.23Å; S595-E644 PolarHBondContact OG-OE1 3.04Å
596	P	53.2	Low	66.3	Low	73 Å²	73	43 Å²	43	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.6	175.5	25.6	-33.1	0	0	0	112.5	L598 L599	P596-L598 PolarHBondContact O-N 3.1Å; P596-L599 WeakPolarHBondContact O-CB 3.4Å; P596-L599 PolarHBondContact O-N 3.2Å
597	N	52.2	Low	66.4	Low	90 Å²	90	43.6 Å²	43.6	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-24.9	174.8	-66	-30.4	0	0	0	112.5	S595 L599 N600 S601	S595-N597 PolarHBondContact O-N 3.36Å; S595-N597 VanDerWaalsContact O-N 3.09Å; S595-N597 WeakPolarHBondContact OG-CB 3.41Å; N597-L599 PolarHBondContact O-N 2.87Å; N597-N600 CarbonylContact O-C 3.45Å; N597-N600 PolarHBondContact O-N 3.35Å; N597-S601 PolarHBondContact O-N 2.89Å; N597-S601 PolarHBondContact O-OG 3.41Å
598	L	52.6	Low	66.6	Low	15 Å²	15	44.3 Å²	44.3	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-32.2	177.3	-75	157.5	0	0	0	113	F245 S595 P596 N600 S601 G602	F245-L598 HydrophobicContact CD1-CB 3.71Å; F245-L598 HydrophobicContact CD1-CD1 4.17Å; F245-L598 HydrophobicContact CE1-CB 3.87Å; F245-L598 HydrophobicContact CG-CB 4.19Å; F245-L598 HydrophobicContact CZ-CB 4.5Å; S595-L598 WeakPolarHBondContact O-CB 3.38Å; S595-L598 PolarHBondContact O-N 3.42Å; S595-L598 VanDerWaalsContact O-N 3.14Å; P596-L598 PolarHBondContact O-N 3.1Å; L598-N600 PolarHBondContact O-N 3.17Å; L598-S601 WeakPolarHBondContact CA-OG 3.29Å; L598-S601 PolarHBondContact O-OG 3.24Å; L598-G602 PolarHBondContact O-N 2.85Å; L598-G602 VanDerWaalsContact O-N 3.13Å
599	L	50.3	Low	66.4	Low	41 Å²	41	45.4 Å²	45.4	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-29.6	177	-136	140.9	0	0	0	111.8	L239 F245 P596 N597	L239-L599 HydrophobicContact CD1-CD1 3.76Å; L239-L599 HydrophobicContact CD2-CD1 4.12Å; L239-L599 HydrophobicContact CG-CD1 3.46Å; L239-L599 VanDerWaalsContact CG-CD1 3.46Å; F245-L599 HydrophobicContact CD2-CB 4.36Å; F245-L599 HydrophobicContact CD2-CD1 3.65Å; F245-L599 HydrophobicContact CD2-CG 4.11Å; F245-L599 HydrophobicContact CE2-CB 4.15Å; F245-L599 HydrophobicContact CE2-CD1 3.7Å; F245-L599 HydrophobicContact CE2-CG 3.72Å; P596-L599 WeakPolarHBondContact O-CB 3.4Å; P596-L599 PolarHBondContact O-N 3.2Å; N597-L599 PolarHBondContact O-N 2.87Å
600	N	45.3	Very low	66.1	Low	121 Å²	121	45.3 Å²	45.3	65%	0.647	26%	0.26	S	S	*	.	H	α-helix	trans	-88.6	-34.6	176.9	-72.3	-23.7	0	0	0	112.7	N597 L598 G602	N597-N600 CarbonylContact O-C 3.45Å; N597-N600 PolarHBondContact O-N 3.35Å; L598-N600 PolarHBondContact O-N 3.17Å; N600-G602 PolarHBondContact O-N 3.45Å
601	S	50.9	Low	65.4	Low	76 Å²	76	51.7 Å²	51.7	53%	0.531	29%	0.288	S	S	.	.	H	α-helix	trans	-74	-17.7	178.3	67.8	0	0	0	0	113	N597 L598	N597-S601 PolarHBondContact O-N 2.89Å; N597-S601 PolarHBondContact O-OG 3.41Å; L598-S601 WeakPolarHBondContact CA-OG 3.29Å; L598-S601 PolarHBondContact O-OG 3.24Å
602	G	59.6	Low	64.1	Low	23 Å²	23	57.4 Å²	57.4	24%	0.237	32%	0.315	C	S	.	.			trans	81	138.6	175.1	0	0	0	0	0	112.5	L598 N600	L598-G602 PolarHBondContact O-N 2.85Å; L598-G602 VanDerWaalsContact O-N 3.13Å; N600-G602 PolarHBondContact O-N 3.45Å
603	V	69.2	Low	62.3	Low	26 Å²	26	61.7 Å²	61.7	16%	0.158	33%	0.33	C	S	.	.			trans	-95.5	116.7	167.8	176.9	0	0	0	0	106.3	V221 F245 V247 L591	V221-V603 HydrophobicContact CG1-CG1 4.44Å; F245-V603 HydrophobicContact CE1-CG2 3.83Å; F245-V603 HydrophobicContact CZ-CG2 3.81Å; V247-V603 HydrophobicContact CG2-CG1 4.43Å; V247-V603 HydrophobicContact CG2-CG2 3.79Å; L591-V603 HydrophobicContact CD2-CG2 4.33Å
604	H	75.2	Confident	60.3	Low	49 Å²	49	65.6 Å²	65.6	23%	0.227	36%	0.355	C	S	.	.			trans	-80.5	130	171.4	-62.4	-86.7	0	0	0	107.9	Y639 T640 Q692 D693 M694	H604-Y639 CarbonylContact O-C 3.57Å; H604-Y639 WeakPolarHBondContact O-CA 3.28Å; H604-T640 HydrophobicContact CB-CG2 3.89Å; H604-T640 PolarHBondContact N-OG1 3.43Å; H604-T640 PolarHBondContact O-N 3.47Å; H604-Q692 PolarHBondContact CE1-O 3.35Å; H604-Q692 PolarHBondContact NE2-O 3.17Å; H604-D693 IonicContact ND1-OD1 2.75Å; H604-M694 VanDerWaalsContact C-CE 3.44Å; H604-M694 HydrophobicContact CB-CE 3.8Å; H604-M694 HydrophobicContact CB-CG 4.37Å; H604-M694 WeakPolarHBondContact O-CE 3.06Å
605	L	80.9	Confident	58.6	Low	27 Å²	27	62 Å²	62	14%	0.141	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	131.2	176.5	-172	160.4	0	0	0	109.1	V221 S222 T235 L590 T607 M637 A638	V221-L605 HydrophobicContact CG1-CB 3.64Å; V221-L605 HydrophobicContact CG1-CD1 4.04Å; V221-L605 HydrophobicContact CG1-CG 4.42Å; S222-L605 VanDerWaalsContact OG-CD2 3.25Å; S222-L605 WeakPolarHBondContact OG-CD2 3.36Å; T235-L605 HydrophobicContact CG2-CD1 3.85Å; L590-L605 HydrophobicContact CD1-CD1 4.03Å; L605-T607 HydrophobicContact CD2-CG2 3.78Å; L605-M637 HydrophobicContact CD1-CG 4.5Å; L605-M637 HydrophobicContact CD1-SD 4.2Å; L605-M637 HydrophobicContact CD2-CG 4.24Å; L605-M637 HydrophobicContact CG-CG 4.31Å; L605-A638 CarbonylContact C-O 3.58Å; L605-A638 VanDerWaalsContact CA-O 3.31Å; L605-A638 WeakPolarHBondContact CA-O 3.26Å
606	T	79.3	Confident	57.1	Low	18 Å²	18	69.7 Å²	69.7	11%	0.11	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.9	173.4	-171.5	0	0	0	0	110	M637 A638 M694 F696 L702	T606-M637 WeakPolarHBondContact O-CA 3.48Å; T606-A638 HydrophobicContact CG2-CB 3.96Å; T606-A638 PolarHBondContact N-O 3.46Å; T606-A638 PolarHBondContact O-N 2.88Å; T606-M694 HydrophobicContact CG2-CE 4.26Å; T606-M694 HydrophobicContact CG2-CG 4.07Å; T606-M694 HydrophobicContact CG2-SD 4.13Å; T606-F696 HydrophobicContact CG2-CD2 3.62Å; T606-F696 HydrophobicContact CG2-CE2 3.68Å; T606-L702 HydrophobicContact CG2-CD1 3.94Å
607	T	79.7	Confident	55.9	Low	29 Å²	29	75.4 Å²	75.4	18%	0.178	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.3	-177.8	48.4	0	0	0	0	110.2	H224 L605 L636 M637	H224-T607 HydrophobicContact CB-CG2 4.39Å; H224-T607 WeakPolarHBondContact CB-OG1 3.31Å; H224-T607 PolarHBondContact CD2-OG1 3.22Å; L605-T607 HydrophobicContact CD2-CG2 3.78Å; T607-L636 CarbonylContact C-O 3.53Å; T607-L636 WeakPolarHBondContact CA-O 3.39Å; T607-M637 HydrophobicContact CG2-CB 3.9Å; T607-M637 HydrophobicContact CG2-CE 3.69Å; T607-M637 HydrophobicContact CG2-CG 3.79Å
608	I	82	Confident	54.7	Low	38 Å²	38	80.4 Å²	80.4	20%	0.195	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.6	173.6	-167.5	164	0	0	0	110.9	L636 F696	I608-L636 HydrophobicContact CG2-CB 3.86Å; I608-L636 HydrophobicContact CG2-CD1 4.33Å; I608-L636 PolarHBondContact N-O 2.78Å; I608-L636 PolarHBondContact O-N 3.16Å; I608-F696 HydrophobicContact CB-CB 3.98Å; I608-F696 HydrophobicContact CB-CD2 3.84Å; I608-F696 HydrophobicContact CB-CE2 4.48Å; I608-F696 HydrophobicContact CB-CG 3.91Å; I608-F696 HydrophobicContact CD1-CB 3.84Å; I608-F696 HydrophobicContact CG2-CB 4Å; I608-F696 HydrophobicContact CG2-CD1 3.74Å; I608-F696 HydrophobicContact CG2-CD2 3.6Å; I608-F696 HydrophobicContact CG2-CE1 4.07Å; I608-F696 HydrophobicContact CG2-CE2 3.92Å; I608-F696 HydrophobicContact CG2-CG 3.5Å; I608-F696 HydrophobicContact CG2-CZ 4.16Å
609	N	76.2	Confident	53.6	Low	28 Å²	28	84.8 Å²	84.8	15%	0.15	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.4	169.5	-76.7	-53.5	0	0	0	110.6	H224 L225 S226 A227 F611	H224-N609 VanDerWaalsContact CE1-CG 3.48Å; H224-N609 PolarHBondContact CE1-ND2 3.31Å; H224-N609 PolarHBondContact CE1-OD1 3.19Å; H224-N609 PolarHBondContact NE2-ND2 3.35Å; L225-N609 PolarHBondContact O-ND2 2.92Å; S226-N609 WeakPolarHBondContact CA-OD1 3.42Å; A227-N609 HydrophobicContact CB-CB 3.89Å; A227-N609 VanDerWaalsContact N-CG 3.26Å; A227-N609 PolarHBondContact N-ND2 3.04Å; A227-N609 PolarHBondContact N-OD1 3.24Å; N609-F611 HydrophobicContact CB-CE2 3.83Å; N609-F611 HydrophobicContact CB-CZ 3.97Å
610	C	72.5	Confident	52.4	Low	9 Å²	9	87.9 Å²	87.9	6%	0.061	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.2	172.5	-63.8	0	0	0	0	110.4	T634 L636	C610-T634 WeakPolarHBondContact CB-OG1 3.39Å; C610-T634 PolarHBondContact N-O 3.09Å; C610-L636 WeakPolarHBondContact SG-CD1 3.36Å; C610-L636 WeakPolarHBondContact SG-CG 3.18Å
611	F	60.8	Low	51.5	Low	135 Å²	135	90.7 Å²	90.7	59%	0.592	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-103.8	150.4	173	-58.9	-84.1	0	0	0	110	A227 N609 E613	A227-F611 HydrophobicContact CB-CD1 4.35Å; A227-F611 HydrophobicContact CB-CE1 3.5Å; A227-F611 HydrophobicContact CB-CZ 3.76Å; N609-F611 HydrophobicContact CB-CE2 3.83Å; N609-F611 HydrophobicContact CB-CZ 3.97Å; F611-E613 PolarHBondContact O-N 2.79Å
612	E	47.3	Very low	50.5	Low	128 Å²	128	94.5 Å²	94.5	60%	0.598	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-68.2	126.7	167.7	-84	-174.8	146.8	0	0	109.6	S614	E612-S614 PolarHBondContact O-N 2.94Å
613	E	35	Very low	48.9	Very low	157 Å²	157	100.4 Å²	100.4	73%	0.734	53%	0.533	S	S	*	.			trans	-69.3	111.1	165.2	-79.1	176.8	175.6	0	0	108.5	F611 A615	F611-E613 PolarHBondContact O-N 2.79Å; E613-A615 PolarHBondContact O-N 3.36Å
614	S	26.7	Very low	46.9	Very low	97 Å²	97	107.1 Å²	107.1	68%	0.678	57%	0.567	S	S	*	*			trans	-58.9	130.6	164.9	51	0	0	0	0	109.2	E612 E616	E612-S614 PolarHBondContact O-N 2.94Å; S614-E616 PolarHBondContact O-N 3.18Å
615	A	24.8	Very low	44.5	Very low	101 Å²	101	113.8 Å²	113.8	84%	0.835	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	28.9	-170.5	0	0	0	0	0	117.3	E613	E613-A615 PolarHBondContact O-N 3.36Å
616	E	25	Very low	42	Very low	182 Å²	182	120.2 Å²	120.2	85%	0.85	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	3.2	-174.6	-72.3	-170.5	160.2	0	0	115.3	S614	S614-E616 PolarHBondContact O-N 3.18Å
617	M	28	Very low	39.4	Very low	194 Å²	194	126.5 Å²	126.5	96%	0.956	66%	0.663	S	S	*	*	S	Bend	trans	-108.1	12.5	174.4	-91	-167.1	177.3	0	0	115.3
618	K	28.3	Very low	36.9	Very low	195 Å²	195	131.8 Å²	131.8	85%	0.848	69%	0.69	S	S	*	*	S	Bend	trans	-100.4	110.1	165.6	-71.5	-170	179	-175.5	0	109.8	S620	K618-S620 PolarHBondContact O-N 3.08Å
619	S	28.1	Very low	34.5	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	72%	0.717	S	S	*	*			trans	-44.7	125.2	168.2	46.1	0	0	0	0	111.9
620	S	25.1	Very low	32.8	Very low	105 Å²	105	143 Å²	143	73%	0.734	75%	0.75	S	S	*	*	S	Bend	trans	34.4	90.2	149.4	53.7	0	0	0	0	117.1	K618	K618-S620 PolarHBondContact O-N 3.08Å
621	Q	27.4	Very low	31.5	Very low	181 Å²	181	150.3 Å²	150.3	85%	0.846	78%	0.781	S	S	*	*				157.1	135.2	126	-85.5	178.5	7.1	0	0	110.3
622	I	29.5	Very low	30.9	Very low	156 Å²	156	146.5 Å²	146.5	80%	0.8	77%	0.77	S	S	*	*			trans	85.4	93.7	165.7	-53.9	160.6	0	0	0	116.3
623	I	25	Very low	31.9	Very low	147 Å²	147	144.1 Å²	144.1	75%	0.754	76%	0.758	S	S	*	*			trans	-45.2	122.4	153	-62.1	157.6	0	0	0	110.9
624	L	29	Very low	34.1	Very low	167 Å²	167	137.2 Å²	137.2	87%	0.874	73%	0.726	S	S	*	*			trans	-143.2	102.5	138.7	-82.4	179.4	0	0	0	109.2	N626	L624-N626 PolarHBondContact O-N 3.26Å
625	K	24.5	Very low	36.9	Very low	189 Å²	189	132.7 Å²	132.7	82%	0.822	69%	0.694	S	S	*	*			trans	-59.5	122.2	164.9	-74.3	175.3	173	177.4	0	108.7
626	N	27.4	Very low	39.9	Very low	161 Å²	161	127.9 Å²	127.9	86%	0.861	66%	0.655	S	S	*	*			trans	-143.9	111.6	151.7	-111.9	-10.1	0	0	0	109.8	L624 N628	L624-N626 PolarHBondContact O-N 3.26Å; N626-N628 PolarHBondContact O-N 2.92Å
627	N	25.9	Very low	42.9	Very low	150 Å²	150	119.2 Å²	119.2	80%	0.802	61%	0.614	S	S	*	*			trans	-60.4	112	171.6	-74.8	-23.6	0	0	0	109.5
628	N	27.1	Very low	45.8	Very low	140 Å²	140	110 Å²	110	75%	0.749	57%	0.569	S	S	*	*			trans	-154.2	74.9	160.3	-96.5	-17.7	0	0	0	108.7	N626 N630	N626-N628 PolarHBondContact O-N 2.92Å; N628-N630 PolarHBondContact O-N 3.43Å
629	N	30.8	Very low	48.5	Very low	145 Å²	145	100.8 Å²	100.8	78%	0.775	53%	0.529	S	S	*	.			trans	-72.4	33.4	179.5	-76.9	-3.8	0	0	0	114.3
630	N	40.4	Very low	51	Low	156 Å²	156	95.9 Å²	95.9	83%	0.834	49%	0.494	S	S	*	.			trans	-132.9	32.5	-167.9	-91.4	-2.1	0	0	0	114.6	N628	N628-N630 PolarHBondContact O-N 3.43Å
631	K	45.1	Very low	53.1	Low	163 Å²	163	91.2 Å²	91.2	71%	0.709	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-81.3	130.6	164.7	-80.9	-174.9	177.4	179.8	0	110	K633	K631-K633 PolarHBondContact O-N 2.84Å
632	P	48.3	Very low	54.6	Low	56 Å²	56	83.7 Å²	83.7	36%	0.364	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-63.1	135.4	-177.8	25.8	-32.9	0	0	0	109.7	N659	P632-N659 HydrophobicContact CB-CB 4.45Å
633	K	69.7	Low	55.8	Low	78 Å²	78	78.1 Å²	78.1	34%	0.339	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-65	141.4	167	-62.9	-173.4	-165.1	130.2	0	108.1	A227 E228 K631 S658	A227-K633 HydrophobicContact CB-CD 4.11Å; E228-K633 HydrophobicContact CG-CB 4.39Å; E228-K633 HydrophobicContact CG-CD 3.72Å; E228-K633 HydrophobicContact CG-CG 4.41Å; E228-K633 WeakPolarHBondContact OE1-CD 3.47Å; E228-K633 VanDerWaalsContact OE1-CE 3.29Å; E228-K633 WeakPolarHBondContact OE1-CE 3.33Å; E228-K633 IonicContact OE1-NZ 3.63Å; E228-K633 PolarHBondContact OE1-NZ 3.48Å; K631-K633 PolarHBondContact O-N 2.84Å; K633-S658 WeakPolarHBondContact O-CB 3.35Å; K633-S658 PolarHBondContact O-N 3.29Å; K633-S658 PolarHBondContact O-OG 2.85Å
634	T	80.8	Confident	56.8	Low	11 Å²	11	77.8 Å²	77.8	7%	0.067	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158.9	-176.9	56.1	0	0	0	0	110.4	C610 E655 L656	C610-T634 WeakPolarHBondContact CB-OG1 3.39Å; C610-T634 PolarHBondContact N-O 3.09Å; T634-E655 WeakPolarHBondContact CB-OE1 3.25Å; T634-E655 HydrophobicContact CG2-CG 3.99Å; T634-E655 PolarHBondContact OG1-OE1 2.75Å; T634-L656 CarbonylContact C-O 3.46Å; T634-L656 VanDerWaalsContact CA-O 3.24Å; T634-L656 WeakPolarHBondContact CA-O 3.43Å; T634-L656 WeakPolarHBondContact CB-O 3.46Å
635	I	84.6	Confident	57.6	Low	3 Å²	3	79.4 Å²	79.4	2%	0.015	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.3	173.2	-56.7	170.7	0	0	0	107.2	L233 L656	L233-I635 HydrophobicContact CD1-CD1 3.8Å; L233-I635 HydrophobicContact CD1-CG2 4.21Å; L233-I635 HydrophobicContact CG-CD1 4.35Å; I635-L656 HydrophobicContact CB-CB 4.36Å; I635-L656 PolarHBondContact N-O 3.17Å; I635-L656 PolarHBondContact O-N 2.73Å
636	L	87.9	Confident	58.5	Low	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.3	167.7	-72.2	171.7	0	0	0	108.9	T607 I608 C610 I654 E655 F696 L764	T607-L636 CarbonylContact C-O 3.53Å; T607-L636 WeakPolarHBondContact CA-O 3.39Å; I608-L636 HydrophobicContact CG2-CB 3.86Å; I608-L636 HydrophobicContact CG2-CD1 4.33Å; I608-L636 PolarHBondContact N-O 2.78Å; I608-L636 PolarHBondContact O-N 3.16Å; C610-L636 WeakPolarHBondContact SG-CD1 3.36Å; C610-L636 WeakPolarHBondContact SG-CG 3.18Å; L636-I654 WeakPolarHBondContact CA-O 3.43Å; L636-E655 HydrophobicContact CD2-CB 3.74Å; L636-E655 HydrophobicContact CD2-CG 3.91Å; L636-F696 HydrophobicContact CB-CE1 4.32Å; L636-F696 HydrophobicContact CB-CE2 4.43Å; L636-F696 HydrophobicContact CB-CZ 3.89Å; L636-F696 HydrophobicContact CD1-CE1 4.48Å; L636-L764 HydrophobicContact CD2-CD1 3.53Å
637	M	88.7	Confident	59.3	Low	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.5	175.7	179.5	-179.4	-73.3	0	0	108.5	L233 L590 L605 T606 T607 Y639 T653 I654 L656	L233-M637 HydrophobicContact CD1-CE 4Å; L590-M637 HydrophobicContact CD1-SD 4.02Å; L605-M637 HydrophobicContact CD1-CG 4.5Å; L605-M637 HydrophobicContact CD1-SD 4.2Å; L605-M637 HydrophobicContact CD2-CG 4.24Å; L605-M637 HydrophobicContact CG-CG 4.31Å; T606-M637 WeakPolarHBondContact O-CA 3.48Å; T607-M637 HydrophobicContact CG2-CB 3.9Å; T607-M637 HydrophobicContact CG2-CE 3.69Å; T607-M637 HydrophobicContact CG2-CG 3.79Å; M637-Y639 HydrophobicContact CG-CD1 4.14Å; M637-Y639 HydrophobicContact SD-CD1 4.39Å; M637-T653 CarbonylContact O-C 3.52Å; M637-T653 WeakPolarHBondContact O-CA 3.42Å; M637-I654 HydrophobicContact CB-CD1 4.43Å; M637-I654 HydrophobicContact CB-CG1 3.86Å; M637-I654 HydrophobicContact CG-CG1 4.46Å; M637-I654 PolarHBondContact N-O 2.76Å; M637-I654 PolarHBondContact O-N 2.95Å; M637-I654 HydrophobicContact SD-CD1 4.23Å; M637-L656 HydrophobicContact CE-CD1 4.32Å
638	A	88	Confident	60.5	Low	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.7	173.2	0	0	0	0	0	109.3	L605 T606 L651 L652 T653 M694 F696 L702	L605-A638 CarbonylContact C-O 3.58Å; L605-A638 VanDerWaalsContact CA-O 3.31Å; L605-A638 WeakPolarHBondContact CA-O 3.26Å; T606-A638 HydrophobicContact CG2-CB 3.96Å; T606-A638 PolarHBondContact N-O 3.46Å; T606-A638 PolarHBondContact O-N 2.88Å; A638-L651 HydrophobicContact CB-CD1 4.2Å; A638-L652 CarbonylContact C-O 3.52Å; A638-L652 VanDerWaalsContact CA-O 3.24Å; A638-L652 WeakPolarHBondContact CA-O 3.46Å; A638-T653 HydrophobicContact CB-CG2 4.49Å; A638-M694 HydrophobicContact CB-CE 4.42Å; A638-M694 HydrophobicContact CB-SD 4.29Å; A638-M694 WeakPolarHBondContact O-CE 3.47Å; A638-F696 HydrophobicContact CB-CE2 4.09Å; A638-F696 HydrophobicContact CB-CZ 3.87Å; A638-L702 HydrophobicContact CB-CD2 4.12Å
639	Y	85.5	Confident	62.1	Low	2 Å²	2	56 Å²	56	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.5	-179.1	61.3	-81	0	0	0	112.6	L590 H604 M637 M641 L652 I654	L590-Y639 HydrophobicContact CB-CE2 4.09Å; H604-Y639 CarbonylContact O-C 3.57Å; H604-Y639 WeakPolarHBondContact O-CA 3.28Å; M637-Y639 HydrophobicContact CG-CD1 4.14Å; M637-Y639 HydrophobicContact SD-CD1 4.39Å; Y639-M641 HydrophobicContact CD2-SD 4.05Å; Y639-M641 HydrophobicContact CE2-CG 4.48Å; Y639-M641 HydrophobicContact CE2-SD 3.6Å; Y639-M641 VanDerWaalsContact CE2-SD 3.6Å; Y639-L652 HydrophobicContact CD1-CB 4.31Å; Y639-L652 HydrophobicContact CD2-CB 4.41Å; Y639-L652 HydrophobicContact CE1-CB 3.86Å; Y639-L652 HydrophobicContact CE2-CB 3.98Å; Y639-L652 HydrophobicContact CE2-CD2 4.02Å; Y639-L652 PolarHBondContact N-O 3.32Å; Y639-L652 PolarHBondContact O-N 3.1Å; Y639-L652 WeakPolarHBondContact OH-CD2 3.31Å; Y639-I654 HydrophobicContact CE1-CD1 4.04Å; Y639-I654 HydrophobicContact CE1-CG1 4.25Å; Y639-I654 HydrophobicContact CE1-CG2 4.46Å
640	T	80	Confident	64	Low	3 Å²	3	49.2 Å²	49.2	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.7	177.4	54.1	0	0	0	0	112.2	H604 N649 L691 M694	H604-T640 HydrophobicContact CB-CG2 3.89Å; H604-T640 PolarHBondContact N-OG1 3.43Å; H604-T640 PolarHBondContact O-N 3.47Å; T640-N649 HydrophobicContact CG2-CB 4.41Å; T640-L691 HydrophobicContact CG2-CD2 3.38Å; T640-M694 HydrophobicContact CG2-CE 4.41Å
641	M	69.2	Low	66.1	Low	8 Å²	8	41.8 Å²	41.8	4%	0.039	22%	0.22	C	C	.	.			trans	-102.7	124.9	166.6	-60.1	-69.1	-79.1	0	0	108.3	L591 Y639 D643 N649 S650 L652 R790	L591-M641 HydrophobicContact CB-CE 4.39Å; L591-M641 HydrophobicContact CB-SD 4.03Å; L591-M641 HydrophobicContact CD1-CB 4.42Å; L591-M641 HydrophobicContact CD1-CE 3.29Å; L591-M641 HydrophobicContact CD1-SD 3.49Å; L591-M641 WeakPolarHBondContact CD1-SD 3.26Å; L591-M641 HydrophobicContact CG-CE 4.42Å; L591-M641 HydrophobicContact CG-SD 4.27Å; Y639-M641 HydrophobicContact CD2-SD 4.05Å; Y639-M641 HydrophobicContact CE2-CG 4.48Å; Y639-M641 HydrophobicContact CE2-SD 3.6Å; Y639-M641 VanDerWaalsContact CE2-SD 3.6Å; M641-D643 PolarHBondContact O-N 3.38Å; M641-N649 VanDerWaalsContact O-CA 3.26Å; M641-N649 WeakPolarHBondContact O-CA 3.34Å; M641-N649 WeakPolarHBondContact O-CB 3.29Å; M641-S650 PolarHBondContact N-O 3.16Å; M641-L652 HydrophobicContact CB-CD1 4.43Å; M641-L652 HydrophobicContact CG-CD1 3.38Å; M641-L652 HydrophobicContact CG-CD2 4.16Å; M641-L652 HydrophobicContact CG-CG 4.28Å; M641-L652 HydrophobicContact SD-CD2 4.26Å; M641-R790 HydrophobicContact CE-CB 4.46Å
642	G	59.7	Low	67.9	Low	22 Å²	22	34.1 Å²	34.1	23%	0.227	19%	0.186	C	C	.	.			trans	-86.5	96.8	172.3	0	0	0	0	0	109.7
643	D	53.4	Low	69.7	Low	39 Å²	39	31.4 Å²	31.4	21%	0.209	17%	0.169	C	C	.	.			trans	-105.7	108.1	168.4	-164.4	-24.9	0	0	0	107.6	M641 K645 S646 R790	M641-D643 PolarHBondContact O-N 3.38Å; D643-K645 PolarHBondContact O-N 2.82Å; D643-K645 PolarHBondContact OD1-N 3.25Å; D643-S646 PolarHBondContact O-N 2.79Å; D643-R790 IonicContact OD2-CZ 3.38Å; D643-R790 IonicContact OD2-NH1 3Å; D643-R790 PolarHBondContact OD2-NH1 3.47Å; D643-R790 IonicContact OD2-NH2 2.79Å; D643-R790 PolarHBondContact OD2-NH2 3.25Å
644	E	47.6	Very low	70.5	Confident	141 Å²	141	27.7 Å²	27.7	66%	0.659	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.6	-179.2	-68.8	-173.2	169.6	0	0	112.7	S595	S595-E644 WeakPolarHBondContact CB-OE1 3.23Å; S595-E644 PolarHBondContact OG-OE1 3.04Å
645	K	44.8	Very low	70.7	Confident	200 Å²	200	27.7 Å²	27.7	87%	0.87	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.1	-174.6	-65.5	-177.7	-179	174	0	114.5	D643	D643-K645 PolarHBondContact O-N 2.82Å; D643-K645 PolarHBondContact OD1-N 3.25Å
646	S	43.2	Very low	70.6	Confident	44 Å²	44	28 Å²	28	31%	0.308	15%	0.153	S	C	.	.	S	Bend	trans	-115.8	107	176.3	56.4	0	0	0	0	107.6	D643 F648	D643-S646 PolarHBondContact O-N 2.79Å; S646-F648 CarbonylContact O-C 3.28Å; S646-F648 VanDerWaalsContact O-C 3.28Å; S646-F648 PolarHBondContact O-N 3.38Å; S646-F648 PolarHBondContact OG-O 3.02Å
647	G	44.5	Very low	70.2	Confident	43 Å²	43	29.1 Å²	29.1	44%	0.443	16%	0.159	S	C	.	.	S	Bend	trans	-59.6	-1.1	-171	0	0	0	0	0	116.7	P688	G647-P688 VanDerWaalsContact C-CB 3.43Å; G647-P688 VanDerWaalsContact CA-CB 3.41Å; G647-P688 WeakPolarHBondContact O-CB 3.36Å
648	F	51.6	Low	69.3	Low	16 Å²	16	29.2 Å²	29.2	7%	0.07	16%	0.16	C	C	.	.	S	Bend	trans	-97.7	122.3	159.8	-170.6	-95.1	0	0	0	109.9	S646 S650 F674 L675 Y689	S646-F648 CarbonylContact O-C 3.28Å; S646-F648 VanDerWaalsContact O-C 3.28Å; S646-F648 PolarHBondContact O-N 3.38Å; S646-F648 PolarHBondContact OG-O 3.02Å; F648-S650 PolarHBondContact O-N 3.46Å; F648-F674 HydrophobicContact CD1-CB 4.43Å; F648-L675 HydrophobicContact CD2-CB 3.92Å; F648-L675 HydrophobicContact CE1-CB 4.34Å; F648-L675 HydrophobicContact CE2-CB 3.6Å; F648-L675 HydrophobicContact CE2-CD2 4.05Å; F648-L675 HydrophobicContact CE2-CG 4.47Å; F648-L675 HydrophobicContact CG-CB 4.45Å; F648-L675 HydrophobicContact CZ-CB 3.82Å; F648-Y689 WeakPolarHBondContact CA-O 3.35Å; F648-Y689 WeakPolarHBondContact CB-O 3.39Å; F648-Y689 WeakPolarHBondContact CD2-O 3.48Å
649	N	60.7	Low	68.3	Low	46 Å²	46	32.9 Å²	32.9	25%	0.246	18%	0.179	C	C	.	.			trans	-61.1	101.1	165.4	-72.8	-21.8	0	0	0	107.9	T640 M641 L651	T640-N649 HydrophobicContact CG2-CB 4.41Å; M641-N649 VanDerWaalsContact O-CA 3.26Å; M641-N649 WeakPolarHBondContact O-CA 3.34Å; M641-N649 WeakPolarHBondContact O-CB 3.29Å; N649-L651 PolarHBondContact O-N 2.96Å
650	S	71.1	Confident	66.9	Low	2 Å²	2	33.6 Å²	33.6	1%	0.014	19%	0.185	C	C	.	.			trans	-47.5	133	174.7	-73.3	0	0	0	0	110.3	M641 F648 E672	M641-S650 PolarHBondContact N-O 3.16Å; F648-S650 PolarHBondContact O-N 3.46Å; S650-E672 WeakPolarHBondContact CB-OE1 3.37Å; S650-E672 PolarHBondContact OG-OE1 2.81Å
651	L	82.7	Confident	66	Low	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.7	178.9	172.5	65.7	0	0	0	108.8	A638 N649 L673 M694 L702 L704	A638-L651 HydrophobicContact CB-CD1 4.2Å; N649-L651 PolarHBondContact O-N 2.96Å; L651-L673 HydrophobicContact CB-CB 4.18Å; L651-L673 HydrophobicContact CD2-CD1 4.13Å; L651-L673 PolarHBondContact N-O 3.09Å; L651-L673 PolarHBondContact O-N 3.45Å; L651-M694 HydrophobicContact CD1-CE 3.95Å; L651-M694 HydrophobicContact CD1-SD 3.41Å; L651-M694 WeakPolarHBondContact CD1-SD 3.31Å; L651-L702 HydrophobicContact CD2-CD2 3.85Å; L651-L704 HydrophobicContact CD2-CD1 4.18Å; L651-L704 HydrophobicContact CD2-CD2 3.98Å
652	L	84.6	Confident	65.4	Low	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.1	173.7	-86.1	63.8	0	0	0	109	A638 Y639 M641 E672 L793	A638-L652 CarbonylContact C-O 3.52Å; A638-L652 VanDerWaalsContact CA-O 3.24Å; A638-L652 WeakPolarHBondContact CA-O 3.46Å; Y639-L652 HydrophobicContact CD1-CB 4.31Å; Y639-L652 HydrophobicContact CD2-CB 4.41Å; Y639-L652 HydrophobicContact CE1-CB 3.86Å; Y639-L652 HydrophobicContact CE2-CB 3.98Å; Y639-L652 HydrophobicContact CE2-CD2 4.02Å; Y639-L652 PolarHBondContact N-O 3.32Å; Y639-L652 PolarHBondContact O-N 3.1Å; Y639-L652 WeakPolarHBondContact OH-CD2 3.31Å; M641-L652 HydrophobicContact CB-CD1 4.43Å; M641-L652 HydrophobicContact CG-CD1 3.38Å; M641-L652 HydrophobicContact CG-CD2 4.16Å; M641-L652 HydrophobicContact CG-CG 4.28Å; M641-L652 HydrophobicContact SD-CD2 4.26Å; L652-E672 HydrophobicContact CD1-CB 4.15Å; L652-E672 HydrophobicContact CD1-CG 3.83Å; L652-E672 HydrophobicContact CG-CB 4.4Å; L652-L793 HydrophobicContact CD2-CD1 4.11Å; L652-L793 HydrophobicContact CG-CD1 4.31Å
653	T	85.1	Confident	65.3	Low	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.6	168.4	-54.3	0	0	0	0	109.1	M637 A638 G670 V671 I760 L764	M637-T653 CarbonylContact O-C 3.52Å; M637-T653 WeakPolarHBondContact O-CA 3.42Å; A638-T653 HydrophobicContact CB-CG2 4.49Å; T653-G670 CarbonylContact O-C 3.47Å; T653-G670 WeakPolarHBondContact O-CA 3.47Å; T653-V671 PolarHBondContact N-O 3.32Å; T653-V671 PolarHBondContact O-N 2.92Å; T653-I760 HydrophobicContact CG2-CD1 3.94Å; T653-I760 HydrophobicContact CG2-CG1 3.86Å; T653-L764 HydrophobicContact CG2-CD1 4.21Å
654	I	85.9	Confident	65.9	Low	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.1	177.9	63.4	176.9	0	0	0	110.6	L636 M637 Y639 L656 I667 N669 I789 L793	L636-I654 WeakPolarHBondContact CA-O 3.43Å; M637-I654 HydrophobicContact CB-CD1 4.43Å; M637-I654 HydrophobicContact CB-CG1 3.86Å; M637-I654 HydrophobicContact CG-CG1 4.46Å; M637-I654 PolarHBondContact N-O 2.76Å; M637-I654 PolarHBondContact O-N 2.95Å; M637-I654 HydrophobicContact SD-CD1 4.23Å; Y639-I654 HydrophobicContact CE1-CD1 4.04Å; Y639-I654 HydrophobicContact CE1-CG1 4.25Å; Y639-I654 HydrophobicContact CE1-CG2 4.46Å; I654-L656 HydrophobicContact CD1-CD2 4.08Å; I654-L656 HydrophobicContact CD1-CG 4.36Å; I654-I667 HydrophobicContact CB-CG2 4.21Å; I654-I667 HydrophobicContact CG2-CG2 4.42Å; I654-N669 WeakPolarHBondContact CA-O 3.2Å; I654-I789 HydrophobicContact CD1-CD1 4.17Å; I654-I789 HydrophobicContact CG2-CG2 4.48Å; I654-L793 HydrophobicContact CG2-CD1 4.06Å
655	E	85.5	Confident	67	Low	11 Å²	11	43.4 Å²	43.4	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.3	174.1	-171.7	168.6	-164.1	0	0	109.4	T634 L636 M668 N669 R761	T634-E655 WeakPolarHBondContact CB-OE1 3.25Å; T634-E655 HydrophobicContact CG2-CG 3.99Å; T634-E655 PolarHBondContact OG1-OE1 2.75Å; L636-E655 HydrophobicContact CD2-CB 3.74Å; L636-E655 HydrophobicContact CD2-CG 3.91Å; E655-M668 HydrophobicContact CB-CB 4.48Å; E655-M668 HydrophobicContact CG-CB 4.48Å; E655-M668 PolarHBondContact O-N 2.95Å; E655-N669 HydrophobicContact CB-CB 4.24Å; E655-N669 PolarHBondContact N-O 3.02Å; E655-R761 VanDerWaalsContact CD-NH1 3.27Å; E655-R761 IonicContact OE1-CZ 3.42Å; E655-R761 IonicContact OE1-NH1 3.93Å; E655-R761 PolarHBondContact OE1-NH1 3.1Å; E655-R761 IonicContact OE1-NH2 3.91Å; E655-R761 IonicContact OE2-NH1 3.35Å; E655-R761 PolarHBondContact OE2-NH1 3.07Å
656	L	83.2	Confident	68.5	Low	9 Å²	9	38.7 Å²	38.7	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138	-178.1	-60.1	171.9	0	0	0	110.5	L233 T634 I635 M637 I654 S658 F665 I667	L233-L656 HydrophobicContact CD1-CD1 3.76Å; T634-L656 CarbonylContact C-O 3.46Å; T634-L656 VanDerWaalsContact CA-O 3.24Å; T634-L656 WeakPolarHBondContact CA-O 3.43Å; T634-L656 WeakPolarHBondContact CB-O 3.46Å; I635-L656 HydrophobicContact CB-CB 4.36Å; I635-L656 PolarHBondContact N-O 3.17Å; I635-L656 PolarHBondContact O-N 2.73Å; M637-L656 HydrophobicContact CE-CD1 4.32Å; I654-L656 HydrophobicContact CD1-CD2 4.08Å; I654-L656 HydrophobicContact CD1-CG 4.36Å; L656-S658 PolarHBondContact O-N 3.2Å; L656-F665 HydrophobicContact CD1-CE1 3.99Å; L656-F665 HydrophobicContact CD1-CE2 4.25Å; L656-F665 HydrophobicContact CD1-CZ 3.53Å; L656-F665 HydrophobicContact CD2-CD1 3.83Å; L656-F665 HydrophobicContact CD2-CE1 3.29Å; L656-F665 HydrophobicContact CD2-CZ 3.76Å; L656-F665 HydrophobicContact CG-CE1 4.29Å; L656-F665 HydrophobicContact CG-CZ 4.31Å; L656-I667 HydrophobicContact CD2-CG1 3.81Å
657	N	78.8	Confident	70.1	Confident	23 Å²	23	37.9 Å²	37.9	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.7	174	-173.1	-14.2	0	0	0	110.8	N659 S660 K666 M668	N657-N659 VanDerWaalsContact C-N 3.27Å; N657-N659 PolarHBondContact O-N 2.99Å; N657-N659 PolarHBondContact OD1-N 3.11Å; N657-S660 PolarHBondContact O-OG 3Å; N657-S660 VanDerWaalsContact O-OG 3.1Å; N657-S660 PolarHBondContact OD1-N 2.82Å; N657-K666 PolarHBondContact N-O 2.94Å; N657-M668 HydrophobicContact CB-CG 3.75Å; N657-M668 HydrophobicContact CB-SD 3.86Å
658	S	70.7	Confident	71.7	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.5	178.4	72.8	0	0	0	0	113.8	N230 I231 K633 L656	N230-S658 PolarHBondContact ND2-O 3.41Å; I231-S658 WeakPolarHBondContact CD1-O 3.23Å; K633-S658 WeakPolarHBondContact O-CB 3.35Å; K633-S658 PolarHBondContact O-N 3.29Å; K633-S658 PolarHBondContact O-OG 2.85Å; L656-S658 PolarHBondContact O-N 3.2Å
659	N	65.8	Low	73.1	Confident	77 Å²	77	40.6 Å²	40.6	41%	0.412	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	4	-170.7	-66.2	6.1	0	0	0	113	E228 N230 P632 N657	E228-N659 PolarHBondContact OE2-ND2 3.43Å; E228-N659 PolarHBondContact OE2-OD1 3.19Å; N230-N659 PolarHBondContact ND2-OD1 2.85Å; P632-N659 HydrophobicContact CB-CB 4.45Å; N657-N659 VanDerWaalsContact C-N 3.27Å; N657-N659 PolarHBondContact O-N 2.99Å; N657-N659 PolarHBondContact OD1-N 3.11Å
660	S	57.3	Low	74.2	Confident	18 Å²	18	38.7 Å²	38.7	13%	0.126	20%	0.202	C	C	.	.	S	Bend	trans	-67.8	147.2	174.8	56.1	0	0	0	0	111.8	N657 K662	N657-S660 PolarHBondContact O-OG 3Å; N657-S660 VanDerWaalsContact O-OG 3.1Å; N657-S660 PolarHBondContact OD1-N 2.82Å; S660-K662 PolarHBondContact O-N 2.74Å
661	D	60	Low	74.9	Confident	134 Å²	134	38.6 Å²	38.6	72%	0.717	20%	0.201	S	C	*	.			trans	-37	135.2	-179.7	-82.5	-36.3	0	0	0	112.2	S663 E664	D661-S663 PolarHBondContact O-N 2.82Å; D661-E664 PolarHBondContact O-N 3.2Å
662	K	57.4	Low	75.1	Confident	110 Å²	110	38.8 Å²	38.8	48%	0.478	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-26.3	-167.2	-62.2	-178.8	-176.5	-178.4	0	113.8	P253 D255 S660	P253-K662 HydrophobicContact CG-CB 4.36Å; D255-K662 VanDerWaalsContact CG-NZ 3.35Å; D255-K662 IonicContact OD1-NZ 3.67Å; D255-K662 WeakPolarHBondContact OD2-CE 3.46Å; D255-K662 IonicContact OD2-NZ 3.25Å; D255-K662 PolarHBondContact OD2-NZ 3.37Å; S660-K662 PolarHBondContact O-N 2.74Å
663	S	57	Low	75.1	Confident	92 Å²	92	38.9 Å²	38.9	64%	0.643	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.4	-173.6	51.7	0	0	0	0	115.9	T586 D661	T586-S663 VanDerWaalsContact CG2-O 3.24Å; T586-S663 WeakPolarHBondContact CG2-O 3.3Å; D661-S663 PolarHBondContact O-N 2.82Å
664	E	65.8	Low	75.2	Confident	66 Å²	66	41.9 Å²	41.9	31%	0.308	22%	0.216	S	C	.	.			trans	-125.2	136.3	-175.6	-163.6	169.8	-141.7	0	0	113.9	K251 D661 K666 N779	K251-E664 PolarHBondContact NZ-O 2.88Å; D661-E664 PolarHBondContact O-N 3.2Å; E664-K666 PolarHBondContact O-N 3.46Å; E664-N779 PolarHBondContact OE1-ND2 3.11Å
665	F	72.1	Confident	75.1	Confident	17 Å²	17	42.2 Å²	42.2	8%	0.075	22%	0.218	C	C	.	.			trans	-86.9	74.5	173.3	-159.3	-90	0	0	0	109.8	L233 C249 K251 Q588 L656 I667	L233-F665 HydrophobicContact CD2-CE2 4.14Å; C249-F665 HydrophobicContact CB-CE2 4.42Å; C249-F665 HydrophobicContact CB-CZ 4.33Å; K251-F665 HydrophobicContact CB-CD2 3.92Å; K251-F665 HydrophobicContact CB-CE2 4.16Å; K251-F665 HydrophobicContact CD-CD2 4.17Å; Q588-F665 HydrophobicContact CB-CB 4.34Å; Q588-F665 HydrophobicContact CB-CD1 3.79Å; Q588-F665 HydrophobicContact CB-CD2 3.97Å; Q588-F665 HydrophobicContact CB-CE1 3.98Å; Q588-F665 HydrophobicContact CB-CE2 4.17Å; Q588-F665 HydrophobicContact CB-CG 3.78Å; Q588-F665 HydrophobicContact CB-CZ 4.17Å; Q588-F665 HydrophobicContact CG-CD1 3.68Å; Q588-F665 HydrophobicContact CG-CE1 3.78Å; Q588-F665 HydrophobicContact CG-CG 4.18Å; Q588-F665 HydrophobicContact CG-CZ 4.39Å; L656-F665 HydrophobicContact CD1-CE1 3.99Å; L656-F665 HydrophobicContact CD1-CE2 4.25Å; L656-F665 HydrophobicContact CD1-CZ 3.53Å; L656-F665 HydrophobicContact CD2-CD1 3.83Å; L656-F665 HydrophobicContact CD2-CE1 3.29Å; L656-F665 HydrophobicContact CD2-CZ 3.76Å; L656-F665 HydrophobicContact CG-CE1 4.29Å; L656-F665 HydrophobicContact CG-CZ 4.31Å; F665-I667 HydrophobicContact CD1-CG1 4.37Å; F665-I667 PolarHBondContact O-N 3.3Å
666	K	75.7	Confident	75.1	Confident	101 Å²	101	45.7 Å²	45.7	44%	0.439	24%	0.236	S	C	.	.			trans	-80.7	110.2	-173.9	-170.3	172.6	-177.9	171.8	0	112.7	N657 E664	N657-K666 PolarHBondContact N-O 2.94Å; E664-K666 PolarHBondContact O-N 3.46Å
667	I	77.1	Confident	75.2	Confident	26 Å²	26	47.3 Å²	47.3	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.2	170.4	-57.5	170.9	0	0	0	108.3	I654 L656 F665 N669 I789	I654-I667 HydrophobicContact CB-CG2 4.21Å; I654-I667 HydrophobicContact CG2-CG2 4.42Å; L656-I667 HydrophobicContact CD2-CG1 3.81Å; F665-I667 HydrophobicContact CD1-CG1 4.37Å; F665-I667 PolarHBondContact O-N 3.3Å; I667-N669 WeakPolarHBondContact CG2-O 3.47Å; I667-I789 HydrophobicContact CD1-CD1 3.75Å; I667-I789 HydrophobicContact CD1-CG1 3.92Å; I667-I789 HydrophobicContact CD1-CG2 3.94Å
668	M	76.9	Confident	75.6	Confident	76 Å²	76	46.4 Å²	46.4	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-51.4	178.8	-67	-64.2	-62.2	0	0	111.1	E655 N657	E655-M668 HydrophobicContact CB-CB 4.48Å; E655-M668 HydrophobicContact CG-CB 4.48Å; E655-M668 PolarHBondContact O-N 2.95Å; N657-M668 HydrophobicContact CB-CG 3.75Å; N657-M668 HydrophobicContact CB-SD 3.86Å
669	N	81.7	Confident	76.3	Confident	40 Å²	40	48.3 Å²	48.3	21%	0.214	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.5	179.3	-77	-22.1	0	0	0	108.8	I654 E655 I667 L764	I654-N669 WeakPolarHBondContact CA-O 3.2Å; E655-N669 HydrophobicContact CB-CB 4.24Å; E655-N669 PolarHBondContact N-O 3.02Å; I667-N669 WeakPolarHBondContact CG2-O 3.47Å; N669-L764 HydrophobicContact CB-CD2 4.46Å
670	G	83.9	Confident	77	Confident	6 Å²	6	47.3 Å²	47.3	6%	0.062	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	160.9	169.4	0	0	0	0	0	112	T653 P794	T653-G670 CarbonylContact O-C 3.47Å; T653-G670 WeakPolarHBondContact O-CA 3.47Å; G670-P794 VanDerWaalsContact O-CD 3.28Å; G670-P794 WeakPolarHBondContact O-CD 3.43Å; G670-P794 WeakPolarHBondContact O-CG 3.32Å
671	V	85.8	Confident	78.3	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.1	-180	65.1	0	0	0	0	109.6	T653 L673 I763 L764 P794 R796	T653-V671 PolarHBondContact N-O 3.32Å; T653-V671 PolarHBondContact O-N 2.92Å; V671-L673 HydrophobicContact CG1-CD2 4.35Å; V671-L673 HydrophobicContact CG1-CG 4.16Å; V671-L673 HydrophobicContact CG2-CD2 4.11Å; V671-I763 HydrophobicContact CG1-CG2 4.11Å; V671-I763 HydrophobicContact CG2-CG2 4.3Å; V671-L764 HydrophobicContact CB-CD2 4.38Å; V671-L764 HydrophobicContact CG1-CD2 3.81Å; V671-P794 WeakPolarHBondContact CG2-O 3.09Å; V671-R796 HydrophobicContact CG2-CB 3.86Å; V671-R796 HydrophobicContact CG2-CG 3.72Å
672	E	86.1	Confident	79.1	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.5	165.3	177.5	-178.9	176.5	0	0	108.7	S650 L652 P794 R795 R796	S650-E672 WeakPolarHBondContact CB-OE1 3.37Å; S650-E672 PolarHBondContact OG-OE1 2.81Å; L652-E672 HydrophobicContact CD1-CB 4.15Å; L652-E672 HydrophobicContact CD1-CG 3.83Å; L652-E672 HydrophobicContact CG-CB 4.4Å; E672-P794 PolarHBondContact N-O 3.44Å; E672-R795 HydrophobicContact CB-CG 4.23Å; E672-R795 CarbonylContact O-C 3.51Å; E672-R795 WeakPolarHBondContact O-CA 3.43Å; E672-R795 IonicContact OE1-CZ 3.46Å; E672-R795 IonicContact OE1-NE 3.28Å; E672-R795 PolarHBondContact OE1-NE 3.28Å; E672-R795 IonicContact OE1-NH2 2.82Å; E672-R795 PolarHBondContact OE1-NH2 2.9Å; E672-R795 WeakPolarHBondContact OE2-CD 3.35Å; E672-R795 WeakPolarHBondContact OE2-CG 3.35Å; E672-R795 IonicContact OE2-CZ 3.72Å; E672-R795 IonicContact OE2-NE 2.86Å; E672-R795 PolarHBondContact OE2-NE 3.48Å; E672-R795 IonicContact OE2-NH2 3.83Å; E672-R796 PolarHBondContact O-N 3.33Å
673	L	86.2	Confident	80.3	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131	177.3	-63.4	173.8	0	0	0	110.2	L651 V671 I760 I763 R796	L651-L673 HydrophobicContact CB-CB 4.18Å; L651-L673 HydrophobicContact CD2-CD1 4.13Å; L651-L673 PolarHBondContact N-O 3.09Å; L651-L673 PolarHBondContact O-N 3.45Å; V671-L673 HydrophobicContact CG1-CD2 4.35Å; V671-L673 HydrophobicContact CG1-CG 4.16Å; V671-L673 HydrophobicContact CG2-CD2 4.11Å; L673-I760 HydrophobicContact CD1-CD1 3.79Å; L673-I763 HydrophobicContact CD1-CD1 4.49Å; L673-I763 HydrophobicContact CD2-CD1 4.33Å; L673-I763 HydrophobicContact CD2-CG2 3.93Å; L673-R796 WeakPolarHBondContact CA-O 3.43Å; L673-R796 HydrophobicContact CD2-CB 3.95Å
674	F	85.4	Confident	81.1	Confident	63 Å²	63	44.8 Å²	44.8	28%	0.276	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.5	169	65.1	-87.4	0	0	0	109.7	F648 R795 R796 N797 L798	F648-F674 HydrophobicContact CD1-CB 4.43Å; F674-R795 HydrophobicContact CD1-CB 4.49Å; F674-R795 HydrophobicContact CE1-CB 4.23Å; F674-R796 VanDerWaalsContact CD1-O 3.31Å; F674-R796 WeakPolarHBondContact CD1-O 3.35Å; F674-R796 WeakPolarHBondContact CE1-O 3.19Å; F674-R796 PolarHBondContact N-O 3.19Å; F674-N797 HydrophobicContact CD2-CB 4.41Å; F674-N797 HydrophobicContact CE1-CB 4.19Å; F674-N797 HydrophobicContact CE2-CB 3.66Å; F674-N797 VanDerWaalsContact CE2-CG 3.43Å; F674-N797 HydrophobicContact CZ-CB 3.53Å; F674-N797 PolarHBondContact O-OD1 3.37Å; F674-L798 WeakPolarHBondContact O-CB 3.44Å; F674-L798 PolarHBondContact O-N 3.47Å
675	L	85.7	Confident	81.7	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.042	27%	0.269	C	S	.	.			trans	-126.5	118.8	-180	178.9	68.2	0	0	0	109.8	F648 A677 I678 Y689 V706 L798 I802	F648-L675 HydrophobicContact CD2-CB 3.92Å; F648-L675 HydrophobicContact CE1-CB 4.34Å; F648-L675 HydrophobicContact CE2-CB 3.6Å; F648-L675 HydrophobicContact CE2-CD2 4.05Å; F648-L675 HydrophobicContact CE2-CG 4.47Å; F648-L675 HydrophobicContact CG-CB 4.45Å; F648-L675 HydrophobicContact CZ-CB 3.82Å; L675-A677 VanDerWaalsContact CD1-O 3.26Å; L675-A677 WeakPolarHBondContact CD1-O 3.3Å; L675-I678 HydrophobicContact CD1-CG1 4.41Å; L675-I678 HydrophobicContact CD2-CD1 4.21Å; L675-I678 HydrophobicContact CD2-CG1 3.95Å; L675-I678 HydrophobicContact CG-CG1 4.48Å; L675-Y689 HydrophobicContact CD2-CD2 4.38Å; L675-Y689 HydrophobicContact CD2-CG 4.12Å; L675-Y689 HydrophobicContact CG-CD2 4.26Å; L675-Y689 HydrophobicContact CG-CG 4.49Å; L675-V706 HydrophobicContact CD2-CB 4.46Å; L675-V706 HydrophobicContact CD2-CG1 3.74Å; L675-V706 HydrophobicContact CD2-CG2 4.13Å; L675-L798 HydrophobicContact CB-CB 4.39Å; L675-L798 HydrophobicContact CD1-CB 4.04Å; L675-L798 HydrophobicContact CD1-CD2 4.19Å; L675-L798 HydrophobicContact CD1-CG 4.34Å; L675-I802 HydrophobicContact CD1-CD1 4.03Å
676	D	84.2	Confident	82	Confident	83 Å²	83	50.2 Å²	50.2	44%	0.444	30%	0.302	S	S	.	.	S	Bend	trans	-103.6	-28.1	178.9	65.9	-16.4	0	0	0	113.7	Y689 N797 S799	D676-Y689 WeakPolarHBondContact O-CE2 3.3Å; D676-N797 PolarHBondContact OD1-ND2 2.84Å; D676-N797 PolarHBondContact OD1-OD1 3.39Å; D676-N797 PolarHBondContact OD2-ND2 2.89Å; D676-S799 VanDerWaalsContact OD1-CB 3.24Å; D676-S799 WeakPolarHBondContact OD1-CB 3.28Å; D676-S799 PolarHBondContact OD1-OG 2.92Å
677	A	86.3	Confident	82.3	Confident	44 Å²	44	45.9 Å²	45.9	36%	0.364	28%	0.283	S	S	.	.			trans	-149.5	141.9	-177.4	0	0	0	0	0	111.5	L675 S799	L675-A677 VanDerWaalsContact CD1-O 3.26Å; L675-A677 WeakPolarHBondContact CD1-O 3.3Å; A677-S799 WeakPolarHBondContact O-CB 3.29Å
678	I	87	Confident	82.6	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	30%	0.295	C	S	.	.			trans	-102.8	122.3	169.4	-65.8	-177.7	0	0	0	108.4	L675 G680 D681 Y689 V706 W754 I807	L675-I678 HydrophobicContact CD1-CG1 4.41Å; L675-I678 HydrophobicContact CD2-CD1 4.21Å; L675-I678 HydrophobicContact CD2-CG1 3.95Å; L675-I678 HydrophobicContact CG-CG1 4.48Å; I678-G680 PolarHBondContact O-N 3.17Å; I678-D681 HydrophobicContact CB-CB 4.11Å; I678-D681 HydrophobicContact CG2-CB 4.46Å; I678-D681 PolarHBondContact O-N 3.39Å; I678-Y689 HydrophobicContact CB-CE1 4.26Å; I678-Y689 HydrophobicContact CD1-CD1 3.61Å; I678-Y689 HydrophobicContact CD1-CE1 3.41Å; I678-Y689 VanDerWaalsContact CD1-CE1 3.41Å; I678-Y689 HydrophobicContact CD1-CG 4.49Å; I678-Y689 HydrophobicContact CG1-CD1 4.07Å; I678-Y689 HydrophobicContact CG1-CE1 3.64Å; I678-Y689 HydrophobicContact CG1-CE2 4.44Å; I678-V706 HydrophobicContact CD1-CB 4.44Å; I678-V706 HydrophobicContact CD1-CG1 4.08Å; I678-W754 HydrophobicContact CD1-CB 4.19Å; I678-W754 HydrophobicContact CD1-CD2 3.57Å; I678-W754 HydrophobicContact CD1-CE3 3.44Å; I678-W754 VanDerWaalsContact CD1-CE3 3.44Å; I678-W754 HydrophobicContact CD1-CG 3.91Å; I678-W754 HydrophobicContact CD1-CZ3 4Å; I678-W754 HydrophobicContact CG2-CD2 4.44Å; I678-W754 HydrophobicContact CG2-CG 4.24Å; I678-I807 HydrophobicContact CG2-CD1 3.96Å; I678-I807 HydrophobicContact CG2-CG2 4.05Å
679	P	84.9	Confident	83	Confident	41 Å²	41	44 Å²	44	27%	0.266	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	115	174	-28.5	30.3	0	0	0	113	I802 R804 I807	P679-I802 HydrophobicContact CG-CG1 4.08Å; P679-I802 WeakPolarHBondContact CG-O 3.46Å; P679-R804 HydrophobicContact CB-CG 3.97Å; P679-I807 HydrophobicContact CB-CD1 3.91Å; P679-I807 VanDerWaalsContact CD-CD1 3.48Å; P679-I807 HydrophobicContact CG-CD1 3.71Å
680	G	80.7	Confident	83.1	Confident	57 Å²	57	44.6 Å²	44.6	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-10.6	180	0	0	0	0	0	115.7	I678	I678-G680 PolarHBondContact O-N 3.17Å
681	D	85.4	Confident	83.2	Confident	33 Å²	33	44.6 Å²	44.6	18%	0.176	28%	0.278	C	S	.	.			trans	-88.1	116.2	172.3	-177.4	31.4	0	0	0	110.6	I678 N683 Y689 R708 W754	I678-D681 HydrophobicContact CB-CB 4.11Å; I678-D681 HydrophobicContact CG2-CB 4.46Å; I678-D681 PolarHBondContact O-N 3.39Å; D681-N683 PolarHBondContact O-N 2.95Å; D681-N683 VanDerWaalsContact O-N 3.12Å; D681-Y689 WeakPolarHBondContact OD2-CE1 3.27Å; D681-Y689 PolarHBondContact OD2-OH 2.87Å; D681-R708 IonicContact OD1-CZ 3.8Å; D681-R708 IonicContact OD1-NE 3.99Å; D681-R708 IonicContact OD1-NH2 2.8Å; D681-R708 PolarHBondContact OD1-NH2 2.82Å; D681-R708 IonicContact OD2-CZ 3.39Å; D681-R708 IonicContact OD2-NE 2.84Å; D681-R708 PolarHBondContact OD2-NE 2.71Å; D681-R708 IonicContact OD2-NH2 3.12Å; D681-R708 PolarHBondContact OD2-NH2 3.33Å; D681-R708 VanDerWaalsContact OD2-NH2 3.12Å; D681-W754 HydrophobicContact CB-CH2 4.49Å; D681-W754 HydrophobicContact CB-CZ2 3.86Å; D681-W754 VanDerWaalsContact CG-CZ2 3.47Å; D681-W754 WeakPolarHBondContact OD2-CH2 3.33Å
682	T	76.3	Confident	83.2	Confident	126 Å²	126	46.3 Å²	46.3	77%	0.773	29%	0.286	S	S	*	.			trans	-79.6	92	170.1	50.9	0	0	0	0	107.9	P684	T682-P684 WeakPolarHBondContact O-CD 3.36Å
683	N	83.1	Confident	83.3	Confident	17 Å²	17	47.3 Å²	47.3	9%	0.091	29%	0.291	C	S	.	.			trans	-100.4	66.6	177.6	-175.3	19.3	0	0	0	111.7	D681 A685 N686 L687 R708	D681-N683 PolarHBondContact O-N 2.95Å; D681-N683 VanDerWaalsContact O-N 3.12Å; N683-A685 PolarHBondContact O-N 2.93Å; N683-A685 VanDerWaalsContact O-N 3.11Å; N683-N686 PolarHBondContact O-N 3.47Å; N683-N686 VanDerWaalsContact O-N 3.08Å; N683-N686 PolarHBondContact O-OD1 3.1Å; N683-L687 PolarHBondContact ND2-N 3.43Å; N683-L687 PolarHBondContact ND2-O 2.97Å; N683-L687 PolarHBondContact OD1-N 2.74Å; N683-L687 VanDerWaalsContact OD1-N 3.11Å; N683-R708 VanDerWaalsContact CG-CD 3.5Å; N683-R708 WeakPolarHBondContact ND2-CD 3.38Å; N683-R708 PolarHBondContact OD1-NH1 3.44Å
684	P	73.9	Confident	83.6	Confident	125 Å²	125	47.6 Å²	47.6	81%	0.812	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.6	-171.4	29.3	-38.1	0	0	0	113.7	T682	T682-P684 WeakPolarHBondContact O-CD 3.36Å
685	A	76.9	Confident	83.9	Confident	57 Å²	57	47 Å²	47	47%	0.471	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.5	179.7	0	0	0	0	0	113.1	N683 L687	N683-A685 PolarHBondContact O-N 2.93Å; N683-A685 VanDerWaalsContact O-N 3.11Å; A685-L687 HydrophobicContact CB-CD1 4.34Å; A685-L687 HydrophobicContact CB-CD2 4.46Å; A685-L687 HydrophobicContact CB-CG 3.9Å; A685-L687 PolarHBondContact O-N 3.45Å; A685-L687 VanDerWaalsContact O-N 3.13Å
686	N	79.1	Confident	84.1	Confident	140 Å²	140	47.1 Å²	47.1	75%	0.749	29%	0.291	S	S	*	.			trans	46.3	41.3	-174	-72.6	-9.4	0	0	0	112.3	N683	N683-N686 PolarHBondContact O-N 3.47Å; N683-N686 VanDerWaalsContact O-N 3.08Å; N683-N686 PolarHBondContact O-OD1 3.1Å
687	L	82.6	Confident	84.4	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.052	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67.2	139.7	176.4	-67.8	174.8	0	0	0	108.8	N683 A685 R708 R709 H712	N683-L687 PolarHBondContact ND2-N 3.43Å; N683-L687 PolarHBondContact ND2-O 2.97Å; N683-L687 PolarHBondContact OD1-N 2.74Å; N683-L687 VanDerWaalsContact OD1-N 3.11Å; A685-L687 HydrophobicContact CB-CD1 4.34Å; A685-L687 HydrophobicContact CB-CD2 4.46Å; A685-L687 HydrophobicContact CB-CG 3.9Å; A685-L687 PolarHBondContact O-N 3.45Å; A685-L687 VanDerWaalsContact O-N 3.13Å; L687-R708 HydrophobicContact CB-CG 4.06Å; L687-R709 WeakPolarHBondContact CD1-O 3.35Å; L687-H712 WeakPolarHBondContact CD2-NE2 3.5Å
688	P	82.2	Confident	84.4	Confident	58 Å²	58	43.6 Å²	43.6	38%	0.377	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-67.2	143.8	-176.9	26.9	-33.8	0	0	0	111.7	G647	G647-P688 VanDerWaalsContact C-CB 3.43Å; G647-P688 VanDerWaalsContact CA-CB 3.41Å; G647-P688 WeakPolarHBondContact O-CB 3.36Å
689	Y	85.7	Confident	84.3	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.02	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	140.3	167.6	-65.5	-79	0	0	0	109.3	F648 L675 D676 I678 D681 V706 S707 R708 W754	F648-Y689 WeakPolarHBondContact CA-O 3.35Å; F648-Y689 WeakPolarHBondContact CB-O 3.39Å; F648-Y689 WeakPolarHBondContact CD2-O 3.48Å; L675-Y689 HydrophobicContact CD2-CD2 4.38Å; L675-Y689 HydrophobicContact CD2-CG 4.12Å; L675-Y689 HydrophobicContact CG-CD2 4.26Å; L675-Y689 HydrophobicContact CG-CG 4.49Å; D676-Y689 WeakPolarHBondContact O-CE2 3.3Å; I678-Y689 HydrophobicContact CB-CE1 4.26Å; I678-Y689 HydrophobicContact CD1-CD1 3.61Å; I678-Y689 HydrophobicContact CD1-CE1 3.41Å; I678-Y689 VanDerWaalsContact CD1-CE1 3.41Å; I678-Y689 HydrophobicContact CD1-CG 4.49Å; I678-Y689 HydrophobicContact CG1-CD1 4.07Å; I678-Y689 HydrophobicContact CG1-CE1 3.64Å; I678-Y689 HydrophobicContact CG1-CE2 4.44Å; D681-Y689 WeakPolarHBondContact OD2-CE1 3.27Å; D681-Y689 PolarHBondContact OD2-OH 2.87Å; Y689-V706 HydrophobicContact CD1-CG1 3.95Å; Y689-V706 HydrophobicContact CG-CG1 4.17Å; Y689-S707 CarbonylContact C-O 3.55Å; Y689-S707 WeakPolarHBondContact CA-O 3.24Å; Y689-R708 HydrophobicContact CD1-CB 3.83Å; Y689-R708 HydrophobicContact CD1-CG 4.31Å; Y689-R708 HydrophobicContact CE1-CB 4Å; Y689-R708 HydrophobicContact CE1-CG 4.31Å; Y689-W754 HydrophobicContact CD1-CZ3 4.08Å; Y689-W754 HydrophobicContact CE1-CE3 4.47Å; Y689-W754 HydrophobicContact CE1-CH2 4.07Å; Y689-W754 AromaticContact CE1-CZ3 3.84Å; Y689-W754 HydrophobicContact CE1-CZ3 3.84Å
690	E	83.4	Confident	84.4	Confident	52 Å²	52	45.4 Å²	45.4	24%	0.243	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.5	178	-64.3	177.3	-169.7	0	0	108.7	S707 R709	E690-S707 PolarHBondContact N-O 3.2Å; E690-S707 PolarHBondContact O-N 3.19Å; E690-S707 PolarHBondContact O-OG 3.12Å; E690-R709 IonicContact OE1-CZ 3.61Å; E690-R709 IonicContact OE1-NE 3.19Å; E690-R709 PolarHBondContact OE1-NE 2.89Å; E690-R709 IonicContact OE1-NH2 3.22Å; E690-R709 PolarHBondContact OE1-NH2 3.49Å
691	L	85.7	Confident	84.8	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	126	171	-173.7	73.9	0	0	0	109.4	T640 M694 L704 I705 V706	T640-L691 HydrophobicContact CG2-CD2 3.38Å; L691-M694 HydrophobicContact CD2-CB 4.47Å; L691-M694 HydrophobicContact CD2-CG 4.38Å; L691-M694 HydrophobicContact CD2-SD 4.05Å; L691-L704 HydrophobicContact CD1-CB 3.76Å; L691-L704 HydrophobicContact CD1-CD1 4.29Å; L691-L704 HydrophobicContact CD1-CD2 3.92Å; L691-L704 HydrophobicContact CD1-CG 4.21Å; L691-I705 WeakPolarHBondContact CD1-O 3.41Å; L691-V706 HydrophobicContact CD1-CG2 4.17Å
692	Q	85.9	Confident	85.1	Confident	36 Å²	36	41.2 Å²	41.2	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-37.8	-178.1	-61.8	-63.4	-41.4	0	0	113.1	H604 I705 S707	H604-Q692 PolarHBondContact CE1-O 3.35Å; H604-Q692 PolarHBondContact NE2-O 3.17Å; Q692-I705 HydrophobicContact CB-CB 4.25Å; Q692-I705 HydrophobicContact CB-CG2 3.8Å; Q692-I705 HydrophobicContact CG-CG2 4.22Å; Q692-I705 PolarHBondContact N-O 3.33Å; Q692-S707 WeakPolarHBondContact CG-OG 3.27Å; Q692-S707 PolarHBondContact NE2-OG 2.81Å
693	D	89.1	Confident	85.9	Confident	27 Å²	27	35.2 Å²	35.2	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	160.9	177.2	-161.7	16.2	0	0	0	110.8	H604 I705 K816 L817	H604-D693 IonicContact ND1-OD1 2.75Å; D693-I705 HydrophobicContact CB-CD1 4.3Å; D693-I705 PolarHBondContact O-N 2.61Å; D693-K816 VanDerWaalsContact OD2-CA 3.28Å; D693-K816 WeakPolarHBondContact OD2-CA 3.41Å; D693-K816 WeakPolarHBondContact OD2-CG 3.39Å; D693-L817 HydrophobicContact CB-CD2 4.44Å; D693-L817 PolarHBondContact OD2-N 2.93Å
694	M	91.3	Very high	86.4	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.044	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	147.2	176.6	61.3	174.1	178.4	0	0	113.1	H604 T606 A638 T640 L651 L691 L703 L704	H604-M694 VanDerWaalsContact C-CE 3.44Å; H604-M694 HydrophobicContact CB-CE 3.8Å; H604-M694 HydrophobicContact CB-CG 4.37Å; H604-M694 WeakPolarHBondContact O-CE 3.06Å; T606-M694 HydrophobicContact CG2-CE 4.26Å; T606-M694 HydrophobicContact CG2-CG 4.07Å; T606-M694 HydrophobicContact CG2-SD 4.13Å; A638-M694 HydrophobicContact CB-CE 4.42Å; A638-M694 HydrophobicContact CB-SD 4.29Å; A638-M694 WeakPolarHBondContact O-CE 3.47Å; T640-M694 HydrophobicContact CG2-CE 4.41Å; L651-M694 HydrophobicContact CD1-CE 3.95Å; L651-M694 HydrophobicContact CD1-SD 3.41Å; L651-M694 WeakPolarHBondContact CD1-SD 3.31Å; L691-M694 HydrophobicContact CD2-CB 4.47Å; L691-M694 HydrophobicContact CD2-CG 4.38Å; L691-M694 HydrophobicContact CD2-SD 4.05Å; M694-L703 VanDerWaalsContact CA-O 3.26Å; M694-L703 WeakPolarHBondContact CA-O 3.42Å; M694-L704 HydrophobicContact CB-CD2 3.54Å; M694-L704 HydrophobicContact SD-CD2 4.44Å
695	Q	92.3	Very high	87.3	Confident	50 Å²	50	28.4 Å²	28.4	23%	0.234	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140.6	172.5	-161.4	-174.8	-3.5	0	0	110.7	Y697 L703 L817 T819	Q695-Y697 PolarHBondContact O-N 2.96Å; Q695-L703 PolarHBondContact N-O 3.13Å; Q695-L703 PolarHBondContact O-N 3.05Å; Q695-L817 HydrophobicContact CB-CD1 3.51Å; Q695-L817 HydrophobicContact CB-CG 4.49Å; Q695-T819 HydrophobicContact CG-CG2 4.39Å
696	F	90.8	Very high	88	Confident	10 Å²	10	25.7 Å²	25.7	4%	0.044	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.6	167.1	-73.3	-74.1	0	0	0	110.5	T606 I608 L636 A638 L702 I760	T606-F696 HydrophobicContact CG2-CD2 3.62Å; T606-F696 HydrophobicContact CG2-CE2 3.68Å; I608-F696 HydrophobicContact CB-CB 3.98Å; I608-F696 HydrophobicContact CB-CD2 3.84Å; I608-F696 HydrophobicContact CB-CE2 4.48Å; I608-F696 HydrophobicContact CB-CG 3.91Å; I608-F696 HydrophobicContact CD1-CB 3.84Å; I608-F696 HydrophobicContact CG2-CB 4Å; I608-F696 HydrophobicContact CG2-CD1 3.74Å; I608-F696 HydrophobicContact CG2-CD2 3.6Å; I608-F696 HydrophobicContact CG2-CE1 4.07Å; I608-F696 HydrophobicContact CG2-CE2 3.92Å; I608-F696 HydrophobicContact CG2-CG 3.5Å; I608-F696 HydrophobicContact CG2-CZ 4.16Å; L636-F696 HydrophobicContact CB-CE1 4.32Å; L636-F696 HydrophobicContact CB-CE2 4.43Å; L636-F696 HydrophobicContact CB-CZ 3.89Å; L636-F696 HydrophobicContact CD1-CE1 4.48Å; A638-F696 HydrophobicContact CB-CE2 4.09Å; A638-F696 HydrophobicContact CB-CZ 3.87Å; F696-L702 HydrophobicContact CD1-CB 4.19Å; F696-L702 HydrophobicContact CD1-CD1 3.87Å; F696-L702 HydrophobicContact CD2-CD1 4.38Å; F696-L702 HydrophobicContact CE1-CB 4.25Å; F696-L702 HydrophobicContact CE1-CD1 4.03Å; F696-L702 HydrophobicContact CG-CD1 4.04Å; F696-L702 HydrophobicContact CZ-CD1 4.36Å; F696-I760 HydrophobicContact CE1-CG2 4.16Å
697	Y	89.9	Confident	88.5	Confident	21 Å²	21	19 Å²	19	8%	0.082	10%	0.101	C	C	.	.	S	Bend	trans	-81	-40.7	167.3	172.5	-87.8	0	0	0	110.3	Q695 V701 L703 T819 G821 S824 M841	Q695-Y697 PolarHBondContact O-N 2.96Å; Y697-V701 HydrophobicContact CD1-CB 4.06Å; Y697-V701 HydrophobicContact CD1-CG1 4.36Å; Y697-V701 HydrophobicContact CG-CB 4.48Å; Y697-V701 HydrophobicContact CG-CG1 4.41Å; Y697-V701 PolarHBondContact N-O 2.87Å; Y697-L703 HydrophobicContact CD2-CD1 4.12Å; Y697-T819 HydrophobicContact CD2-CG2 4.45Å; Y697-T819 VanDerWaalsContact CD2-OG1 3.26Å; Y697-T819 WeakPolarHBondContact CD2-OG1 3.35Å; Y697-G821 WeakPolarHBondContact O-CA 3.49Å; Y697-G821 PolarHBondContact OH-O 2.97Å; Y697-S824 VanDerWaalsContact OH-CA 3.3Å; Y697-S824 WeakPolarHBondContact OH-CA 3.33Å; Y697-S824 PolarHBondContact OH-OG 3.2Å; Y697-M841 HydrophobicContact CD2-CG 4.47Å; Y697-M841 HydrophobicContact CE2-CB 4.26Å; Y697-M841 HydrophobicContact CE2-CG 3.69Å
698	S	86.8	Confident	88.8	Confident	33 Å²	33	19.4 Å²	19.4	23%	0.231	10%	0.101	C	C	.	.	S	Bend	trans	-153.8	179.9	173	69.3	0	0	0	0	109.2	Q700 V701	S698-Q700 PolarHBondContact O-N 3.37Å; S698-Q700 VanDerWaalsContact O-N 3.15Å; S698-Q700 PolarHBondContact OG-N 2.95Å; S698-Q700 VanDerWaalsContact OG-N 3.15Å; S698-V701 PolarHBondContact N-O 2.74Å; S698-V701 PolarHBondContact O-N 3.11Å; S698-V701 VanDerWaalsContact O-O 3.05Å; S698-V701 PolarHBondContact OG-N 3.48Å
699	S	84.6	Confident	88.9	Confident	24 Å²	24	20.9 Å²	20.9	17%	0.168	10%	0.099	C	C	.	.	S	Bend	trans	-63.3	-13.3	170.5	53.7	0	0	0	0	113.4
700	Q	86.3	Confident	88.5	Confident	59 Å²	59	22.4 Å²	22.4	28%	0.276	11%	0.111	S	C	.	.	S	Bend	trans	-98.2	-27.8	-179.3	-53.7	-63.3	-16.3	0	0	112.8	S698 P759 I760	S698-Q700 PolarHBondContact O-N 3.37Å; S698-Q700 VanDerWaalsContact O-N 3.15Å; S698-Q700 PolarHBondContact OG-N 2.95Å; S698-Q700 VanDerWaalsContact OG-N 3.15Å; Q700-P759 CarbonylContact O-C 3.49Å; Q700-I760 PolarHBondContact O-N 3.02Å; Q700-I760 VanDerWaalsContact O-N 3.07Å
701	V	89.5	Confident	87.8	Confident	1 Å²	1	27 Å²	27	1%	0.006	13%	0.13	C	C	.	.			trans	-131.7	127.4	-167.9	177.6	0	0	0	0	111.3	V9 Y697 S698 L703 M757 V758	V9-V701 HydrophobicContact CG1-CG2 4.09Å; V9-V701 HydrophobicContact CG2-CG2 4.23Å; Y697-V701 HydrophobicContact CD1-CB 4.06Å; Y697-V701 HydrophobicContact CD1-CG1 4.36Å; Y697-V701 HydrophobicContact CG-CB 4.48Å; Y697-V701 HydrophobicContact CG-CG1 4.41Å; Y697-V701 PolarHBondContact N-O 2.87Å; S698-V701 PolarHBondContact N-O 2.74Å; S698-V701 PolarHBondContact O-N 3.11Å; S698-V701 VanDerWaalsContact O-O 3.05Å; S698-V701 PolarHBondContact OG-N 3.48Å; V701-L703 HydrophobicContact CG1-CD2 4.13Å; V701-M757 HydrophobicContact CG1-CG 3.34Å; V701-M757 HydrophobicContact CG1-SD 3.96Å; V701-M757 HydrophobicContact CG2-SD 4.43Å; V701-V758 WeakPolarHBondContact CA-O 3.27Å
702	L	92.1	Very high	86.4	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.4	170.7	178.6	65.4	0	0	0	109.4	T606 A638 L651 F696 L704 V758 I760	T606-L702 HydrophobicContact CG2-CD1 3.94Å; A638-L702 HydrophobicContact CB-CD2 4.12Å; L651-L702 HydrophobicContact CD2-CD2 3.85Å; F696-L702 HydrophobicContact CD1-CB 4.19Å; F696-L702 HydrophobicContact CD1-CD1 3.87Å; F696-L702 HydrophobicContact CD2-CD1 4.38Å; F696-L702 HydrophobicContact CE1-CB 4.25Å; F696-L702 HydrophobicContact CE1-CD1 4.03Å; F696-L702 HydrophobicContact CG-CD1 4.04Å; F696-L702 HydrophobicContact CZ-CD1 4.36Å; L702-L704 HydrophobicContact CD2-CD2 3.91Å; L702-L704 HydrophobicContact CG-CD2 3.87Å; L702-V758 HydrophobicContact CB-CB 4.27Å; L702-V758 PolarHBondContact N-O 3.31Å; L702-V758 WeakPolarHBondContact O-CB 3.45Å; L702-V758 PolarHBondContact O-N 3.05Å; L702-I760 HydrophobicContact CB-CB 4.18Å; L702-I760 HydrophobicContact CB-CG2 4.34Å
703	L	94	Very high	84.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.5	175.6	-60.9	178.8	0	0	0	110	Y13 M694 Q695 Y697 V701 V756 M757 L817 T819 V826	Y13-L703 WeakPolarHBondContact OH-CD2 3.28Å; M694-L703 VanDerWaalsContact CA-O 3.26Å; M694-L703 WeakPolarHBondContact CA-O 3.42Å; Q695-L703 PolarHBondContact N-O 3.13Å; Q695-L703 PolarHBondContact O-N 3.05Å; Y697-L703 HydrophobicContact CD2-CD1 4.12Å; V701-L703 HydrophobicContact CG1-CD2 4.13Å; L703-V756 WeakPolarHBondContact CA-O 3.39Å; L703-M757 HydrophobicContact CD2-CB 4.25Å; L703-M757 HydrophobicContact CD2-CG 4.19Å; L703-L817 HydrophobicContact CB-CD1 4.19Å; L703-L817 HydrophobicContact CB-CD2 4.39Å; L703-T819 HydrophobicContact CD1-CG2 4.12Å; L703-V826 HydrophobicContact CD1-CG1 4.1Å; L703-V826 HydrophobicContact CD1-CG2 3.68Å
704	L	93.3	Very high	81.9	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.1	179.6	-52.5	-180	0	0	0	110.2	L651 L691 M694 L702 V706 V756 V758 L798	L651-L704 HydrophobicContact CD2-CD1 4.18Å; L651-L704 HydrophobicContact CD2-CD2 3.98Å; L691-L704 HydrophobicContact CD1-CB 3.76Å; L691-L704 HydrophobicContact CD1-CD1 4.29Å; L691-L704 HydrophobicContact CD1-CD2 3.92Å; L691-L704 HydrophobicContact CD1-CG 4.21Å; M694-L704 HydrophobicContact CB-CD2 3.54Å; M694-L704 HydrophobicContact SD-CD2 4.44Å; L702-L704 HydrophobicContact CD2-CD2 3.91Å; L702-L704 HydrophobicContact CG-CD2 3.87Å; L704-V706 HydrophobicContact CB-CG2 4.14Å; L704-V756 HydrophobicContact CB-CB 4.33Å; L704-V756 PolarHBondContact N-O 3.05Å; L704-V756 PolarHBondContact O-N 3.35Å; L704-V758 HydrophobicContact CD1-CG2 3.56Å; L704-V758 HydrophobicContact CG-CG2 3.9Å; L704-L798 HydrophobicContact CD1-CD2 3.81Å
705	I	92.6	Very high	79	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	157.1	-69.2	165.4	0	0	0	107.7	L691 Q692 D693 W754 L755 A814 K816 L817 V828	L691-I705 WeakPolarHBondContact CD1-O 3.41Å; Q692-I705 HydrophobicContact CB-CB 4.25Å; Q692-I705 HydrophobicContact CB-CG2 3.8Å; Q692-I705 HydrophobicContact CG-CG2 4.22Å; Q692-I705 PolarHBondContact N-O 3.33Å; D693-I705 HydrophobicContact CB-CD1 4.3Å; D693-I705 PolarHBondContact O-N 2.61Å; I705-W754 WeakPolarHBondContact CA-O 3.32Å; I705-L755 HydrophobicContact CG1-CD1 4.31Å; I705-A814 HydrophobicContact CD1-CB 4.05Å; I705-A814 HydrophobicContact CG1-CB 4.47Å; I705-A814 HydrophobicContact CG2-CB 3.86Å; I705-K816 VanDerWaalsContact CD1-C 3.42Å; I705-L817 HydrophobicContact CB-CD2 4.45Å; I705-L817 HydrophobicContact CD1-CB 3.69Å; I705-L817 HydrophobicContact CD1-CD2 3.94Å; I705-L817 HydrophobicContact CD1-CG 4.3Å; I705-L817 HydrophobicContact CG1-CB 4.26Å; I705-L817 HydrophobicContact CG1-CD2 3.7Å; I705-V828 HydrophobicContact CD1-CG1 4.28Å
706	V	91	Very high	75.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139	176.7	-178.5	0	0	0	0	108.8	L675 I678 Y689 L691 L704 S753 W754 V756	L675-V706 HydrophobicContact CD2-CB 4.46Å; L675-V706 HydrophobicContact CD2-CG1 3.74Å; L675-V706 HydrophobicContact CD2-CG2 4.13Å; I678-V706 HydrophobicContact CD1-CB 4.44Å; I678-V706 HydrophobicContact CD1-CG1 4.08Å; Y689-V706 HydrophobicContact CD1-CG1 3.95Å; Y689-V706 HydrophobicContact CG-CG1 4.17Å; L691-V706 HydrophobicContact CD1-CG2 4.17Å; L704-V706 HydrophobicContact CB-CG2 4.14Å; V706-S753 CarbonylContact O-C 3.55Å; V706-S753 VanDerWaalsContact O-CA 3.3Å; V706-S753 WeakPolarHBondContact O-CA 3.29Å; V706-W754 PolarHBondContact N-O 2.91Å; V706-W754 PolarHBondContact O-N 3.31Å; V706-V756 HydrophobicContact CB-CG2 4.49Å; V706-V756 HydrophobicContact CG2-CG2 4.14Å
707	S	89.6	Confident	72.8	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	160.7	176.5	72.1	0	0	0	0	112.4	Y689 E690 Q692 M751 H752 S753	Y689-S707 CarbonylContact C-O 3.55Å; Y689-S707 WeakPolarHBondContact CA-O 3.24Å; E690-S707 PolarHBondContact N-O 3.2Å; E690-S707 PolarHBondContact O-N 3.19Å; E690-S707 PolarHBondContact O-OG 3.12Å; Q692-S707 WeakPolarHBondContact CG-OG 3.27Å; Q692-S707 PolarHBondContact NE2-OG 2.81Å; S707-M751 WeakPolarHBondContact OG-CE 3.25Å; S707-H752 CarbonylContact C-O 3.5Å; S707-H752 WeakPolarHBondContact CA-O 3.49Å; S707-H752 WeakPolarHBondContact CB-O 3.42Å; S707-S753 WeakPolarHBondContact CB-OG 3.29Å
708	R	88.6	Confident	69.7	Low	17 Å²	17	60.9 Å²	60.9	6%	0.064	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.6	175.9	-174.1	176.9	63.7	77.5	-7.4	110.4	D681 N683 L687 Y689 H752 W754	D681-R708 IonicContact OD1-CZ 3.8Å; D681-R708 IonicContact OD1-NE 3.99Å; D681-R708 IonicContact OD1-NH2 2.8Å; D681-R708 PolarHBondContact OD1-NH2 2.82Å; D681-R708 IonicContact OD2-CZ 3.39Å; D681-R708 IonicContact OD2-NE 2.84Å; D681-R708 PolarHBondContact OD2-NE 2.71Å; D681-R708 IonicContact OD2-NH2 3.12Å; D681-R708 PolarHBondContact OD2-NH2 3.33Å; D681-R708 VanDerWaalsContact OD2-NH2 3.12Å; N683-R708 VanDerWaalsContact CG-CD 3.5Å; N683-R708 WeakPolarHBondContact ND2-CD 3.38Å; N683-R708 PolarHBondContact OD1-NH1 3.44Å; L687-R708 HydrophobicContact CB-CG 4.06Å; Y689-R708 HydrophobicContact CD1-CB 3.83Å; Y689-R708 HydrophobicContact CD1-CG 4.31Å; Y689-R708 HydrophobicContact CE1-CB 4Å; Y689-R708 HydrophobicContact CE1-CG 4.31Å; R708-H752 PolarHBondContact N-O 3.4Å; R708-H752 PolarHBondContact O-N 2.93Å; R708-W754 HydrophobicContact CB-CH2 3.99Å; R708-W754 HydrophobicContact CB-CZ3 3.67Å
709	R	84.2	Confident	66.9	Low	89 Å²	89	69.2 Å²	69.2	34%	0.336	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	143.7	172.8	-67.7	176.1	-161.4	-151.1	0.4	110.8	L687 E690 S713 M751	L687-R709 WeakPolarHBondContact CD1-O 3.35Å; E690-R709 IonicContact OE1-CZ 3.61Å; E690-R709 IonicContact OE1-NE 3.19Å; E690-R709 PolarHBondContact OE1-NE 2.89Å; E690-R709 IonicContact OE1-NH2 3.22Å; E690-R709 PolarHBondContact OE1-NH2 3.49Å; R709-S713 PolarHBondContact NH1-OG 3.21Å; R709-M751 VanDerWaalsContact CA-SD 3.6Å; R709-M751 HydrophobicContact CB-SD 4.03Å; R709-M751 HydrophobicContact CG-CE 4.3Å; R709-M751 HydrophobicContact CG-SD 3.26Å; R709-M751 WeakPolarHBondContact CG-SD 3.44Å
710	S	77.1	Confident	64.1	Low	37 Å²	37	72.6 Å²	72.6	26%	0.259	37%	0.373	S	S	.	.	S	Bend	trans	-73.5	-26.6	175.6	55.2	0	0	0	0	114	L750	S710-L750 WeakPolarHBondContact CB-O 3.48Å; S710-L750 PolarHBondContact N-O 2.98Å; S710-L750 PolarHBondContact OG-N 3.22Å; S710-L750 PolarHBondContact OG-O 3.23Å
711	K	68.6	Low	61.3	Low	148 Å²	148	74.1 Å²	74.1	64%	0.643	39%	0.39	S	S	*	.	S	Bend	trans	-141.6	157	-177.9	-65.6	-179.4	-177.8	174.2	0	110.3	S713	K711-S713 PolarHBondContact O-N 2.89Å
712	H	57	Low	58.3	Low	154 Å²	154	79.6 Å²	79.6	71%	0.713	43%	0.426	S	S	*	.			trans	-62.1	106.3	166.8	-87.6	-68.3	0	0	0	109.2	L687	L687-H712 WeakPolarHBondContact CD2-NE2 3.5Å
713	S	46.9	Very low	55.2	Low	33 Å²	33	88 Å²	88	23%	0.231	46%	0.462	C	S	.	.			trans	-83	133	164.1	100	0	0	0	0	108.2	R709 K711 V715 D749	R709-S713 PolarHBondContact NH1-OG 3.21Å; K711-S713 PolarHBondContact O-N 2.89Å; S713-V715 PolarHBondContact O-N 3.29Å; S713-D749 WeakPolarHBondContact CB-OD2 3.46Å
714	K	34.7	Very low	52	Low	198 Å²	198	94.7 Å²	94.7	86%	0.861	50%	0.497	S	S	*	.			trans	-60.7	112.4	167.5	-79.5	-179.4	176.6	179	0	106	S716	K714-S716 PolarHBondContact O-N 2.94Å
715	V	29.4	Very low	48.8	Very low	138 Å²	138	101.8 Å²	101.8	84%	0.836	54%	0.535	S	S	*	.			trans	-50.8	101.9	175.1	178.4	0	0	0	0	108	S713	S713-V715 PolarHBondContact O-N 3.29Å
716	S	26.7	Very low	45.6	Very low	104 Å²	104	108 Å²	108	73%	0.727	57%	0.573	S	S	*	*			trans	-107.8	107.3	160.9	44.9	0	0	0	0	105	K714 I718	K714-S716 PolarHBondContact O-N 2.94Å; S716-I718 PolarHBondContact O-N 3.48Å
717	S	26.7	Very low	42.6	Very low	98 Å²	98	112.5 Å²	112.5	69%	0.685	60%	0.604	S	S	*	*			trans	-52.7	102.5	166.7	49.5	0	0	0	0	108.8
718	I	24.8	Very low	39.6	Very low	146 Å²	146	117.6 Å²	117.6	75%	0.749	64%	0.64	S	S	*	*			trans	-172.5	94.1	151.2	-76.2	127.6	0	0	0	105.9	S716	S716-I718 PolarHBondContact O-N 3.48Å
719	R	26.6	Very low	36.9	Very low	207 Å²	207	125.7 Å²	125.7	78%	0.781	68%	0.68	S	S	*	*			trans	-123	75.3	150.6	-109.3	-174.6	-178.2	-164.5	-5.6	105.9	S721 E831	R719-S721 PolarHBondContact O-N 3.47Å; R719-E831 IonicContact CZ-OE1 3.83Å; R719-E831 IonicContact NH2-OE1 2.85Å; R719-E831 PolarHBondContact NH2-OE1 3.45Å
720	S	26.3	Very low	34.1	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	71%	0.708	S	S	*	*			trans	-75.3	111.1	163.4	51.5	0	0	0	0	107.4
721	S	27.3	Very low	32	Very low	90 Å²	90	137.2 Å²	137.2	63%	0.629	73%	0.734	S	S	*	*			trans	-56.8	137.8	156	49.1	0	0	0	0	107.9	R719 K723	R719-S721 PolarHBondContact O-N 3.47Å; S721-K723 PolarHBondContact O-N 2.84Å
722	P	27	Very low	30.3	Very low	117 Å²	117	136 Å²	136	76%	0.76	74%	0.735	S	S	*	*			trans	-72.3	97.4	-176	28.2	-30.7	0	0	0	108.8	I724	P722-I724 PolarHBondContact O-N 3.32Å
723	K	26.9	Very low	29.2	Very low	175 Å²	175	136.7 Å²	136.7	76%	0.761	74%	0.738	S	S	*	*			trans	-71.9	98.9	155	-75.8	-174.5	179.3	177	0	106.8	S721 N725	S721-K723 PolarHBondContact O-N 2.84Å; K723-N725 VanDerWaalsContact C-N 3.29Å; K723-N725 PolarHBondContact O-N 3.47Å
724	I	25.7	Very low	28.7	Very low	142 Å²	142	139.2 Å²	139.2	73%	0.728	76%	0.756	S	S	*	*			trans	-66.6	95.9	165.4	-58.4	177.4	0	0	0	106.6	P722 V726	P722-I724 PolarHBondContact O-N 3.32Å; I724-V726 HydrophobicContact CG2-CG2 3.48Å; I724-V726 VanDerWaalsContact CG2-CG2 3.48Å; I724-V726 PolarHBondContact O-N 3.38Å
725	N	26.5	Very low	28.8	Very low	148 Å²	148	136 Å²	136	79%	0.791	75%	0.747	S	S	*	*			trans	-85.3	96.6	163.9	-111.9	-4.6	0	0	0	107.2	K723 S727	K723-N725 VanDerWaalsContact C-N 3.29Å; K723-N725 PolarHBondContact O-N 3.47Å; N725-S727 PolarHBondContact O-N 2.85Å
726	V	26.7	Very low	29.1	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	74%	0.738	S	S	*	*			trans	-81.5	94.2	169.8	-173.9	0	0	0	0	108.2	I724	I724-V726 HydrophobicContact CG2-CG2 3.48Å; I724-V726 VanDerWaalsContact CG2-CG2 3.48Å; I724-V726 PolarHBondContact O-N 3.38Å
727	S	27.9	Very low	29.4	Very low	94 Å²	94	136.1 Å²	136.1	66%	0.657	74%	0.735	S	S	*	*			trans	-140	102	155.8	61.6	0	0	0	0	109.3	N725	N725-S727 PolarHBondContact O-N 2.85Å
728	S	26.9	Very low	29.6	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	74%	0.741	S	S	*	*			trans	48.8	101.3	155.6	63.2	0	0	0	0	118.4
729	M	30.4	Very low	30.1	Very low	186 Å²	186	142 Å²	142	92%	0.916	74%	0.739	S	S	*	*				-176.9	129.5	125.1	-101.1	174.2	173.7	0	0	110.7	I731	M729-I731 PolarHBondContact O-N 3.16Å
730	K	26.4	Very low	30.5	Very low	213 Å²	213	138 Å²	138	93%	0.926	73%	0.732	S	S	*	*			trans	-67.8	118.4	176	-69.7	174	173.2	179.8	0	110
731	I	33.4	Very low	30.7	Very low	155 Å²	155	138.1 Å²	138.1	80%	0.795	73%	0.733	S	S	*	*			trans	-141.3	134.9	162.9	-57.4	-177.8	0	0	0	109.4	M729	M729-I731 PolarHBondContact O-N 3.16Å
732	D	31.3	Very low	30.9	Very low	123 Å²	123	138 Å²	138	66%	0.658	73%	0.732	S	S	*	*			trans	-45.9	129.2	-167.1	-84.4	-47.4	0	0	0	117.8	S734	D732-S734 PolarHBondContact O-N 2.96Å; D732-S734 VanDerWaalsContact O-N 3.13Å
733	E	33.6	Very low	30.9	Very low	169 Å²	169	139.6 Å²	139.6	79%	0.79	73%	0.733	S	S	*	*	H	α-helix	trans	-65.3	-7.2	175.1	-75.2	-178.6	145.7	0	0	114.8
734	S	37.4	Very low	30.9	Very low	86 Å²	86	136.1 Å²	136.1	60%	0.601	73%	0.727	S	S	*	*	H	α-helix	trans	-84.6	-13.9	-177.6	59.3	0	0	0	0	114.8	D732	D732-S734 PolarHBondContact O-N 2.96Å; D732-S734 VanDerWaalsContact O-N 3.13Å
735	L	37.1	Very low	31	Very low	130 Å²	130	134.9 Å²	134.9	68%	0.681	73%	0.728	S	S	*	*	H	α-helix	trans	-93	-29.6	178.7	-80.5	161.1	0	0	0	113.1	N737	L735-N737 PolarHBondContact O-N 3.41Å
736	L	34.9	Very low	31	Very low	122 Å²	122	133.4 Å²	133.4	64%	0.639	73%	0.725	S	S	*	*	H	α-helix	trans	-69.3	-33.2	178.1	-111.7	95.4	0	0	0	113.1	R738 L740	L736-R738 VanDerWaalsContact C-N 3.3Å; L736-R738 PolarHBondContact O-N 2.86Å; L736-L740 HydrophobicContact CD2-CD1 4.47Å; L736-L740 VanDerWaalsContact O-CD1 3.22Å; L736-L740 WeakPolarHBondContact O-CD1 3.44Å; L736-L740 PolarHBondContact O-N 3.02Å
737	N	32.9	Very low	31.1	Very low	123 Å²	123	135 Å²	135	66%	0.658	73%	0.729	S	S	*	*	H	α-helix	trans	-77.9	-10.8	-176.1	-74.9	-24.7	0	0	0	114.3	L735	L735-N737 PolarHBondContact O-N 3.41Å
738	R	32.3	Very low	31.5	Very low	215 Å²	215	137.2 Å²	137.2	81%	0.811	73%	0.733	S	S	*	*	H	α-helix	trans	-93.7	-16.5	178.2	-128.5	177.8	93.5	179.1	5.9	114.1	L736	L736-R738 VanDerWaalsContact C-N 3.3Å; L736-R738 PolarHBondContact O-N 2.86Å
739	E	35.1	Very low	32.9	Very low	152 Å²	152	136.1 Å²	136.1	71%	0.71	72%	0.719	S	S	*	*	H	α-helix	trans	-96.9	-21.9	173.9	-69.6	-165.5	157	0	0	113.1	S741 S742	E739-S741 VanDerWaalsContact C-N 3.3Å; E739-S741 PolarHBondContact O-N 3.46Å; E739-S742 PolarHBondContact O-OG 2.88Å
740	L	34.3	Very low	34.8	Very low	124 Å²	124	133.2 Å²	133.2	65%	0.649	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-13.6	174.7	-95.4	102.6	0	0	0	114.5	L736	L736-L740 HydrophobicContact CD2-CD1 4.47Å; L736-L740 VanDerWaalsContact O-CD1 3.22Å; L736-L740 WeakPolarHBondContact O-CD1 3.44Å; L736-L740 PolarHBondContact O-N 3.02Å
741	S	31.3	Very low	37.5	Very low	97 Å²	97	125 Å²	125	68%	0.678	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	1.7	-179.6	53.3	0	0	0	0	115	E739	E739-S741 VanDerWaalsContact C-N 3.3Å; E739-S741 PolarHBondContact O-N 3.46Å
742	S	30.3	Very low	40.1	Very low	89 Å²	89	121.7 Å²	121.7	62%	0.622	65%	0.653	S	S	*	*			trans	-115.4	11.6	-178.2	58.7	0	0	0	0	115.6	E739 T744	E739-S742 PolarHBondContact O-OG 2.88Å; S742-T744 PolarHBondContact O-N 3.24Å
743	L	28.7	Very low	43	Very low	149 Å²	149	116 Å²	116	78%	0.78	62%	0.623	S	S	*	*			trans	-94.7	82.5	176.5	-72.8	161.2	0	0	0	110.8
744	T	25.9	Very low	45.9	Very low	102 Å²	102	109 Å²	109	63%	0.626	59%	0.589	S	S	*	*			trans	-65.6	135.8	158.2	38.9	0	0	0	0	109.1	S742 T746	S742-T744 PolarHBondContact O-N 3.24Å; T744-T746 PolarHBondContact O-N 3.28Å
745	P	27	Very low	48.6	Very low	117 Å²	117	104.9 Å²	104.9	76%	0.76	56%	0.56	S	S	*	*			trans	-73.4	94.3	-175	30.3	-31.8	0	0	0	108.7
746	T	26.8	Very low	51.2	Low	117 Å²	117	98.7 Å²	98.7	72%	0.718	53%	0.528	S	S	*	.			trans	-118	119.9	175.6	51.1	0	0	0	0	108.7	T744	T744-T746 PolarHBondContact O-N 3.28Å
747	N	28.4	Very low	53.9	Low	164 Å²	164	93 Å²	93	88%	0.877	50%	0.498	S	S	*	.			trans	73.3	71.7	-174.7	-75.5	-15.4	0	0	0	118.1
748	N	37.9	Very low	56.7	Low	142 Å²	142	87.1 Å²	87.1	76%	0.759	47%	0.467	S	S	*	.			trans	-81.9	114.6	157.6	-80.9	-6.7	0	0	0	109.7	L750	N748-L750 PolarHBondContact O-N 2.77Å
749	D	55.4	Low	59.4	Low	84 Å²	84	77.3 Å²	77.3	45%	0.449	43%	0.431	S	S	.	.			trans	-59.9	104.1	165.1	-89.8	-26	0	0	0	108.5	S713 M751	S713-D749 WeakPolarHBondContact CB-OD2 3.46Å; D749-M751 PolarHBondContact O-N 3.07Å
750	L	70.7	Confident	61.9	Low	125 Å²	125	70.1 Å²	70.1	65%	0.654	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-63.9	118.6	177.5	-75.1	152	0	0	0	108.9	S710 N748	S710-L750 WeakPolarHBondContact CB-O 3.48Å; S710-L750 PolarHBondContact N-O 2.98Å; S710-L750 PolarHBondContact OG-N 3.22Å; S710-L750 PolarHBondContact OG-O 3.23Å; N748-L750 PolarHBondContact O-N 2.77Å
751	M	83.1	Confident	64.3	Low	41 Å²	41	66.9 Å²	66.9	20%	0.202	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	172	-74.2	-70	-86.9	0	0	109.2	S707 R709 D749 H813	S707-M751 WeakPolarHBondContact OG-CE 3.25Å; R709-M751 VanDerWaalsContact CA-SD 3.6Å; R709-M751 HydrophobicContact CB-SD 4.03Å; R709-M751 HydrophobicContact CG-CE 4.3Å; R709-M751 HydrophobicContact CG-SD 3.26Å; R709-M751 WeakPolarHBondContact CG-SD 3.44Å; D749-M751 PolarHBondContact O-N 3.07Å; M751-H813 HydrophobicContact CB-CB 3.98Å
752	H	88	Confident	66.7	Low	85 Å²	85	64.9 Å²	64.9	39%	0.394	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145.6	169.5	-59	83.4	0	0	0	108.3	S707 R708 W754	S707-H752 CarbonylContact C-O 3.5Å; S707-H752 WeakPolarHBondContact CA-O 3.49Å; S707-H752 WeakPolarHBondContact CB-O 3.42Å; R708-H752 PolarHBondContact N-O 3.4Å; R708-H752 PolarHBondContact O-N 2.93Å; H752-W754 HydrophobicContact CB-CH2 3.41Å; H752-W754 VanDerWaalsContact CB-CH2 3.41Å; H752-W754 HydrophobicContact CB-CZ2 3.89Å; H752-W754 HydrophobicContact CB-CZ3 3.85Å
753	S	92.3	Very high	69.3	Low	2 Å²	2	60.6 Å²	60.6	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.3	-179	-63.6	0	0	0	0	111.3	V706 S707 L810 H813 A814	V706-S753 CarbonylContact O-C 3.55Å; V706-S753 VanDerWaalsContact O-CA 3.3Å; V706-S753 WeakPolarHBondContact O-CA 3.29Å; S707-S753 WeakPolarHBondContact CB-OG 3.29Å; S753-L810 WeakPolarHBondContact O-CB 3.45Å; S753-L810 PolarHBondContact O-N 2.83Å; S753-H813 WeakPolarHBondContact OG-CA 3.13Å; S753-H813 PolarHBondContact OG-ND1 3.5Å; S753-H813 VanDerWaalsContact OG-ND1 3.11Å; S753-A814 PolarHBondContact OG-N 3.47Å
754	W	93.9	Very high	71.9	Confident	22 Å²	22	53.6 Å²	53.6	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.4	-178.2	-60.8	-92.5	0	0	0	109.9	I678 D681 Y689 I705 V706 R708 H752 V756 I807 E808	I678-W754 HydrophobicContact CD1-CB 4.19Å; I678-W754 HydrophobicContact CD1-CD2 3.57Å; I678-W754 HydrophobicContact CD1-CE3 3.44Å; I678-W754 VanDerWaalsContact CD1-CE3 3.44Å; I678-W754 HydrophobicContact CD1-CG 3.91Å; I678-W754 HydrophobicContact CD1-CZ3 4Å; I678-W754 HydrophobicContact CG2-CD2 4.44Å; I678-W754 HydrophobicContact CG2-CG 4.24Å; D681-W754 HydrophobicContact CB-CH2 4.49Å; D681-W754 HydrophobicContact CB-CZ2 3.86Å; D681-W754 VanDerWaalsContact CG-CZ2 3.47Å; D681-W754 WeakPolarHBondContact OD2-CH2 3.33Å; Y689-W754 HydrophobicContact CD1-CZ3 4.08Å; Y689-W754 HydrophobicContact CE1-CE3 4.47Å; Y689-W754 HydrophobicContact CE1-CH2 4.07Å; Y689-W754 AromaticContact CE1-CZ3 3.84Å; Y689-W754 HydrophobicContact CE1-CZ3 3.84Å; I705-W754 WeakPolarHBondContact CA-O 3.32Å; V706-W754 PolarHBondContact N-O 2.91Å; V706-W754 PolarHBondContact O-N 3.31Å; R708-W754 HydrophobicContact CB-CH2 3.99Å; R708-W754 HydrophobicContact CB-CZ3 3.67Å; H752-W754 HydrophobicContact CB-CH2 3.41Å; H752-W754 VanDerWaalsContact CB-CH2 3.41Å; H752-W754 HydrophobicContact CB-CZ2 3.89Å; H752-W754 HydrophobicContact CB-CZ3 3.85Å; W754-V756 HydrophobicContact CB-CG2 4.15Å; W754-I807 HydrophobicContact CB-CG2 4.15Å; W754-I807 HydrophobicContact CG-CG2 4.31Å; W754-E808 WeakPolarHBondContact CA-O 3.2Å
755	L	93.8	Very high	74.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.7	166.8	-179.7	64.4	0	0	0	107.8	Y13 I705 I807 E808 L810 L817 V826 V828 Y839	Y13-L755 HydrophobicContact CD1-CD2 3.76Å; Y13-L755 HydrophobicContact CE1-CD2 3.31Å; Y13-L755 HydrophobicContact CE1-CG 3.83Å; Y13-L755 HydrophobicContact CE2-CG 4.48Å; I705-L755 HydrophobicContact CG1-CD1 4.31Å; L755-I807 WeakPolarHBondContact O-CA 3.47Å; L755-E808 HydrophobicContact CB-CB 4.31Å; L755-E808 PolarHBondContact N-O 2.82Å; L755-E808 PolarHBondContact O-N 2.74Å; L755-L810 HydrophobicContact CB-CD1 4.24Å; L755-L810 HydrophobicContact CB-CD2 4.38Å; L755-L810 HydrophobicContact CB-CG 4.43Å; L755-L817 HydrophobicContact CD1-CD2 4.42Å; L755-V826 HydrophobicContact CD2-CG1 4.18Å; L755-V828 HydrophobicContact CD2-CG2 4.13Å; L755-Y839 HydrophobicContact CD2-CD2 4.41Å
756	V	92.7	Very high	76.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.2	-171.6	-175.7	0	0	0	0	109.9	L703 L704 V706 W754 V758 I802 I807	L703-V756 WeakPolarHBondContact CA-O 3.39Å; L704-V756 HydrophobicContact CB-CB 4.33Å; L704-V756 PolarHBondContact N-O 3.05Å; L704-V756 PolarHBondContact O-N 3.35Å; V706-V756 HydrophobicContact CB-CG2 4.49Å; V706-V756 HydrophobicContact CG2-CG2 4.14Å; W754-V756 HydrophobicContact CB-CG2 4.15Å; V756-V758 HydrophobicContact CG1-CG2 4.2Å; V756-I802 HydrophobicContact CG1-CD1 4.05Å; V756-I802 HydrophobicContact CG1-CG2 3.97Å; V756-I807 HydrophobicContact CG1-CG1 4.38Å; V756-I807 HydrophobicContact CG2-CG1 4.49Å
757	M	92.1	Very high	78.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.8	171	-171.2	-175.3	-57.7	0	0	110.5	F11 Y13 V701 L703 N806 M841	F11-M757 HydrophobicContact CB-CE 3.64Å; F11-M757 HydrophobicContact CB-SD 4.2Å; F11-M757 HydrophobicContact CD2-SD 4.41Å; Y13-M757 WeakPolarHBondContact OH-CB 3.47Å; Y13-M757 PolarHBondContact OH-N 3.2Å; V701-M757 HydrophobicContact CG1-CG 3.34Å; V701-M757 HydrophobicContact CG1-SD 3.96Å; V701-M757 HydrophobicContact CG2-SD 4.43Å; L703-M757 HydrophobicContact CD2-CB 4.25Å; L703-M757 HydrophobicContact CD2-CG 4.19Å; M757-N806 HydrophobicContact CB-CB 4.14Å; M757-N806 WeakPolarHBondContact CB-O 3.29Å; M757-N806 PolarHBondContact N-O 3.09Å; M757-M841 HydrophobicContact CE-CE 2.96Å
758	V	90.8	Very high	79.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.3	-179.7	-177.8	0	0	0	0	110.3	V701 L702 L704 V756 I760 I763 L798	V701-V758 WeakPolarHBondContact CA-O 3.27Å; L702-V758 HydrophobicContact CB-CB 4.27Å; L702-V758 PolarHBondContact N-O 3.31Å; L702-V758 WeakPolarHBondContact O-CB 3.45Å; L702-V758 PolarHBondContact O-N 3.05Å; L704-V758 HydrophobicContact CD1-CG2 3.56Å; L704-V758 HydrophobicContact CG-CG2 3.9Å; V756-V758 HydrophobicContact CG1-CG2 4.2Å; V758-I760 HydrophobicContact CG1-CD1 4.48Å; V758-I760 PolarHBondContact O-N 3.41Å; V758-I763 HydrophobicContact CG1-CD1 3.52Å; V758-L798 HydrophobicContact CB-CD1 4.19Å; V758-L798 HydrophobicContact CG1-CD1 3.5Å; V758-L798 VanDerWaalsContact CG1-CD1 3.5Å; V758-L798 HydrophobicContact CG2-CD1 3.68Å; V758-L798 HydrophobicContact CG2-CD2 4Å; V758-L798 HydrophobicContact CG2-CG 4.41Å
759	P	89.2	Confident	79.8	Confident	10 Å²	10	46.3 Å²	46.3	7%	0.065	24%	0.241	C	C	.	.			trans	-75.8	72	175.8	33	-35.6	0	0	0	110.4	V9 Q700 R761 D762 I763 F801	V9-P759 HydrophobicContact CG2-CB 3.98Å; Q700-P759 CarbonylContact O-C 3.49Å; P759-R761 VanDerWaalsContact C-N 3.27Å; P759-R761 PolarHBondContact O-N 2.82Å; P759-D762 HydrophobicContact CB-CB 4.32Å; P759-D762 PolarHBondContact O-N 3.47Å; P759-I763 WeakPolarHBondContact O-CG1 3.42Å; P759-I763 PolarHBondContact O-N 3.47Å; P759-F801 HydrophobicContact CG-CB 4.44Å
760	I	87.4	Confident	79.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-32.2	-166	-167.4	58	0	0	0	113.3	T653 L673 F696 Q700 L702 V758 I763 L764	T653-I760 HydrophobicContact CG2-CD1 3.94Å; T653-I760 HydrophobicContact CG2-CG1 3.86Å; L673-I760 HydrophobicContact CD1-CD1 3.79Å; F696-I760 HydrophobicContact CE1-CG2 4.16Å; Q700-I760 PolarHBondContact O-N 3.02Å; Q700-I760 VanDerWaalsContact O-N 3.07Å; L702-I760 HydrophobicContact CB-CB 4.18Å; L702-I760 HydrophobicContact CB-CG2 4.34Å; V758-I760 HydrophobicContact CG1-CD1 4.48Å; V758-I760 PolarHBondContact O-N 3.41Å; I760-I763 PolarHBondContact O-N 3.08Å; I760-L764 HydrophobicContact CG1-CD1 4.26Å; I760-L764 WeakPolarHBondContact O-CG 3.41Å; I760-L764 PolarHBondContact O-N 2.87Å
761	R	84.3	Confident	77.8	Confident	57 Å²	57	44.5 Å²	44.5	22%	0.215	23%	0.233	C	C	.	.	H	α-helix	trans	-71.9	-37.8	179.5	-166.6	64.9	160.3	-177.7	-2.5	112	E655 P759 I763 L764 N765	E655-R761 VanDerWaalsContact CD-NH1 3.27Å; E655-R761 IonicContact OE1-CZ 3.42Å; E655-R761 IonicContact OE1-NH1 3.93Å; E655-R761 PolarHBondContact OE1-NH1 3.1Å; E655-R761 IonicContact OE1-NH2 3.91Å; E655-R761 IonicContact OE2-NH1 3.35Å; E655-R761 PolarHBondContact OE2-NH1 3.07Å; P759-R761 VanDerWaalsContact C-N 3.27Å; P759-R761 PolarHBondContact O-N 2.82Å; R761-I763 VanDerWaalsContact C-N 3.32Å; R761-L764 PolarHBondContact O-N 3.45Å; R761-N765 WeakPolarHBondContact O-CB 3.46Å; R761-N765 PolarHBondContact O-N 3.1Å; R761-N765 PolarHBondContact O-ND2 2.95Å
762	D	83.1	Confident	75.8	Confident	54 Å²	54	45.4 Å²	45.4	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-40.4	176	-63.5	-27.9	0	0	0	110.7	P759 N765 G766	P759-D762 HydrophobicContact CB-CB 4.32Å; P759-D762 PolarHBondContact O-N 3.47Å; D762-N765 PolarHBondContact O-N 2.89Å; D762-G766 PolarHBondContact O-N 3.07Å
763	I	84.8	Confident	73.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-49.2	173.6	-65.4	173.8	0	0	0	110.7	V671 L673 V758 P759 I760 R761 G766 L798 F801	V671-I763 HydrophobicContact CG1-CG2 4.11Å; V671-I763 HydrophobicContact CG2-CG2 4.3Å; L673-I763 HydrophobicContact CD1-CD1 4.49Å; L673-I763 HydrophobicContact CD2-CD1 4.33Å; L673-I763 HydrophobicContact CD2-CG2 3.93Å; V758-I763 HydrophobicContact CG1-CD1 3.52Å; P759-I763 WeakPolarHBondContact O-CG1 3.42Å; P759-I763 PolarHBondContact O-N 3.47Å; I760-I763 PolarHBondContact O-N 3.08Å; R761-I763 VanDerWaalsContact C-N 3.32Å; I763-G766 PolarHBondContact O-N 2.9Å; I763-L798 HydrophobicContact CD1-CD1 4.26Å; I763-F801 HydrophobicContact CD1-CB 4.07Å; I763-F801 HydrophobicContact CD1-CD2 4.18Å; I763-F801 HydrophobicContact CD1-CG 4Å; I763-F801 HydrophobicContact CG1-CB 4.13Å; I763-F801 HydrophobicContact CG1-CD1 3.69Å; I763-F801 HydrophobicContact CG1-CD2 4.05Å; I763-F801 HydrophobicContact CG1-CE1 4.07Å; I763-F801 HydrophobicContact CG1-CE2 4.42Å; I763-F801 HydrophobicContact CG1-CG 3.67Å; I763-F801 HydrophobicContact CG1-CZ 4.42Å
764	L	83	Confident	70.6	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-38.2	179.9	-73.9	169.1	0	0	0	112.4	L636 T653 N669 V671 I760 R761 G766 V767	L636-L764 HydrophobicContact CD2-CD1 3.53Å; T653-L764 HydrophobicContact CG2-CD1 4.21Å; N669-L764 HydrophobicContact CB-CD2 4.46Å; V671-L764 HydrophobicContact CB-CD2 4.38Å; V671-L764 HydrophobicContact CG1-CD2 3.81Å; I760-L764 HydrophobicContact CG1-CD1 4.26Å; I760-L764 WeakPolarHBondContact O-CG 3.41Å; I760-L764 PolarHBondContact O-N 2.87Å; R761-L764 PolarHBondContact O-N 3.45Å; L764-G766 VanDerWaalsContact C-N 3.34Å; L764-V767 PolarHBondContact O-N 3.18Å
765	N	79.1	Confident	68.1	Low	101 Å²	101	56.8 Å²	56.8	54%	0.54	31%	0.313	S	S	.	.	H	α-helix	trans	-71	-29	176.9	-70.9	-19.7	0	0	0	112.7	R761 D762 V767	R761-N765 WeakPolarHBondContact O-CB 3.46Å; R761-N765 PolarHBondContact O-N 3.1Å; R761-N765 PolarHBondContact O-ND2 2.95Å; D762-N765 PolarHBondContact O-N 2.89Å; N765-V767 PolarHBondContact O-N 2.98Å
766	G	67.6	Low	65.1	Low	36 Å²	36	64 Å²	64	37%	0.371	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-0.4	176.2	0	0	0	0	0	114.4	D762 I763 L764 R796	D762-G766 PolarHBondContact O-N 3.07Å; I763-G766 PolarHBondContact O-N 2.9Å; L764-G766 VanDerWaalsContact C-N 3.34Å; G766-R796 PolarHBondContact O-NH2 3.48Å
767	V	67.6	Low	62.4	Low	14 Å²	14	67 Å²	67	9%	0.085	36%	0.358	C	S	.	.	S	Bend	trans	-88.6	105.7	168.4	179	0	0	0	0	107.4	L764 N765 N769 F770 P794	L764-V767 PolarHBondContact O-N 3.18Å; N765-V767 PolarHBondContact O-N 2.98Å; V767-N769 PolarHBondContact O-N 2.93Å; V767-F770 HydrophobicContact CG1-CD2 3.8Å; V767-F770 HydrophobicContact CG1-CE2 4.16Å; V767-P794 HydrophobicContact CG1-CB 4.48Å; V767-P794 HydrophobicContact CG1-CG 3.68Å; V767-P794 HydrophobicContact CG2-CG 4.03Å
768	E	52.2	Low	59.3	Low	184 Å²	184	72.7 Å²	72.7	86%	0.86	39%	0.393	S	S	*	.			trans	-53.4	129	175.1	-72	-174.6	166.2	0	0	110.2	F770	E768-F770 PolarHBondContact O-N 3.04Å
769	N	45.4	Very low	56.3	Low	154 Å²	154	77.5 Å²	77.5	82%	0.824	42%	0.419	S	S	*	.			trans	-24.1	98.6	-176.7	-70.9	-36.7	0	0	0	113.2	V767 S771	V767-N769 PolarHBondContact O-N 2.93Å; N769-S771 PolarHBondContact O-N 2.87Å
770	F	44.2	Very low	53.4	Low	96 Å²	96	82 Å²	82	42%	0.421	45%	0.447	S	S	.	.			trans	-59.8	105.6	164	-106.9	-97.9	0	0	0	106.8	V767 E768 G772 N792 P794	V767-F770 HydrophobicContact CG1-CD2 3.8Å; V767-F770 HydrophobicContact CG1-CE2 4.16Å; E768-F770 PolarHBondContact O-N 3.04Å; F770-G772 PolarHBondContact O-N 2.65Å; F770-N792 VanDerWaalsContact CE1-O 3.27Å; F770-N792 WeakPolarHBondContact CE1-O 3.34Å; F770-N792 WeakPolarHBondContact CZ-O 3.41Å; F770-P794 HydrophobicContact CD2-CG 4.36Å; F770-P794 HydrophobicContact CE2-CB 4.01Å; F770-P794 HydrophobicContact CE2-CG 3.68Å; F770-P794 HydrophobicContact CZ-CG 4.4Å
771	S	39.1	Very low	50.5	Low	75 Å²	75	88.4 Å²	88.4	52%	0.524	49%	0.486	S	S	.	.			trans	-57.4	115.5	173	54.5	0	0	0	0	107.9	N769 E773 L774	N769-S771 PolarHBondContact O-N 2.87Å; S771-E773 PolarHBondContact O-N 3.08Å; S771-L774 PolarHBondContact O-N 3.35Å
772	G	41.2	Very low	47.8	Very low	60 Å²	60	90.4 Å²	90.4	62%	0.619	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	9.5	-177.6	0	0	0	0	0	115.2	F770	F770-G772 PolarHBondContact O-N 2.65Å
773	E	36.1	Very low	45.3	Very low	142 Å²	142	92.1 Å²	92.1	66%	0.664	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.5	175	-67.4	-161.2	130.4	0	0	113.1	S771 L775 K776	S771-E773 PolarHBondContact O-N 3.08Å; E773-L775 VanDerWaalsContact C-N 3.33Å; E773-K776 PolarHBondContact O-N 2.76Å; E773-K776 IonicContact OE1-NZ 3.53Å
774	L	35.9	Very low	43	Very low	138 Å²	138	95.6 Å²	95.6	72%	0.723	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.5	177.6	-88.8	145.8	0	0	0	114.3	S771	S771-L774 PolarHBondContact O-N 3.35Å
775	L	39.9	Very low	41	Very low	68 Å²	68	97.7 Å²	97.7	36%	0.356	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.7	18.3	170.5	-89.2	162.2	0	0	0	112.6	E773 Q777	E773-L775 VanDerWaalsContact C-N 3.33Å; L775-Q777 PolarHBondContact O-N 3.48Å
776	K	32.5	Very low	39.4	Very low	151 Å²	151	94.9 Å²	94.9	66%	0.657	55%	0.546	S	S	*	.			trans	-70.7	71.9	159.5	-76.6	179.1	178.9	166.6	0	108.6	E773 T778	E773-K776 PolarHBondContact O-N 2.76Å; E773-K776 IonicContact OE1-NZ 3.53Å; K776-T778 PolarHBondContact O-N 2.88Å
777	Q	34.1	Very low	38.6	Very low	64 Å²	64	100.4 Å²	100.4	30%	0.299	56%	0.563	S	S	.	*			trans	-60.7	121	160	-76.2	-176.4	-14.2	0	0	106.1	L775 N779	L775-Q777 PolarHBondContact O-N 3.48Å; Q777-N779 PolarHBondContact O-N 3.48Å
778	T	28.1	Very low	38.1	Very low	121 Å²	121	101.6 Å²	101.6	74%	0.742	57%	0.571	S	S	*	*			trans	-59.5	97.5	-178.2	40.6	0	0	0	0	109.4	K776 T780	K776-T778 PolarHBondContact O-N 2.88Å; T778-T780 PolarHBondContact O-N 3.23Å; T778-T780 PolarHBondContact O-OG1 3.39Å
779	N	28.2	Very low	38.4	Very low	101 Å²	101	93.6 Å²	93.6	54%	0.54	53%	0.534	S	S	.	.			trans	-63.9	79.2	167.7	-73.7	-32	0	0	0	108.7	E664 Q777 T781	E664-N779 PolarHBondContact OE1-ND2 3.11Å; Q777-N779 PolarHBondContact O-N 3.48Å; N779-T781 PolarHBondContact O-N 2.85Å
780	T	27.3	Very low	38.9	Very low	106 Å²	106	90.7 Å²	90.7	65%	0.65	51%	0.512	S	S	*	.			trans	-89.7	98.2	164	36.5	0	0	0	0	106.8	T778	T778-T780 PolarHBondContact O-N 3.23Å; T778-T780 PolarHBondContact O-OG1 3.39Å
781	T	27.1	Very low	39.3	Very low	133 Å²	133	91.1 Å²	91.1	82%	0.816	52%	0.522	S	S	*	.	S	Bend	trans	24	107.4	147.7	50.1	0	0	0	0	116.5	N779	N779-T781 PolarHBondContact O-N 2.85Å
782	A	27.7	Very low	40.5	Very low	100 Å²	100	90.8 Å²	90.8	83%	0.826	52%	0.515	S	S	*	.	S	Bend	trans	82.7	25.6	153	0	0	0	0	0	120.6
783	S	29.5	Very low	42	Very low	89 Å²	89	89 Å²	89	62%	0.622	49%	0.491	S	S	*	.			trans	-136.9	103.6	158.1	73.7	0	0	0	0	112.5	V785	S783-V785 VanDerWaalsContact C-N 3.34Å; S783-V785 PolarHBondContact O-N 3.14Å
784	I	36.6	Very low	44.2	Very low	73 Å²	73	83.6 Å²	83.6	37%	0.374	47%	0.468	S	S	.	.			trans	-82.9	72.9	-171.2	-50.8	172.8	0	0	0	110.4	R587	R587-I784 HydrophobicContact CB-CG2 3.71Å; R587-I784 HydrophobicContact CG-CG2 3.84Å
785	V	41.1	Very low	46.4	Very low	46 Å²	46	83.7 Å²	83.7	28%	0.279	46%	0.459	S	S	.	.			trans	-151.7	98.1	169.5	-173.6	0	0	0	0	108.9	L212 I589 S783	L212-V785 HydrophobicContact CD1-CG2 4.1Å; L212-V785 HydrophobicContact CD2-CG1 4.34Å; L212-V785 HydrophobicContact CD2-CG2 4.33Å; L212-V785 HydrophobicContact CG-CG2 4.14Å; I589-V785 HydrophobicContact CD1-CG1 3.06Å; I589-V785 HydrophobicContact CG1-CG1 3.55Å; S783-V785 VanDerWaalsContact C-N 3.34Å; S783-V785 PolarHBondContact O-N 3.14Å
786	N	46.9	Very low	48.6	Very low	41 Å²	41	84.6 Å²	84.6	22%	0.219	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-77.6	140.8	172.8	-72.6	-11	0	0	0	110.8	Q588 I589	Q588-N786 PolarHBondContact OE1-ND2 2.64Å; I589-N786 WeakPolarHBondContact CB-O 3.32Å
787	E	50.4	Low	51.1	Low	153 Å²	153	78 Å²	78	72%	0.715	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-58.6	158.2	175.1	-71.3	-176.8	165	0	0	112.3	Q588 I789	Q588-E787 PolarHBondContact NE2-O 3.07Å; E787-I789 PolarHBondContact O-N 3.37Å
788	S	55.8	Low	53.5	Low	38 Å²	38	75.1 Å²	75.1	27%	0.266	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-56.7	133.5	-174.8	62.8	0	0	0	0	112.7	R790	S788-R790 PolarHBondContact O-N 2.95Å
789	I	59.9	Low	56.2	Low	16 Å²	16	70.9 Å²	70.9	8%	0.082	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-59.5	-19.6	-175.3	-62.8	165.6	0	0	0	113.3	Q588 L590 I654 I667 E787 T791 L793	Q588-I789 HydrophobicContact CG-CD1 4.12Å; L590-I789 HydrophobicContact CD2-CD1 3.76Å; I654-I789 HydrophobicContact CD1-CD1 4.17Å; I654-I789 HydrophobicContact CG2-CG2 4.48Å; I667-I789 HydrophobicContact CD1-CD1 3.75Å; I667-I789 HydrophobicContact CD1-CG1 3.92Å; I667-I789 HydrophobicContact CD1-CG2 3.94Å; E787-I789 PolarHBondContact O-N 3.37Å; I789-T791 VanDerWaalsContact C-N 3.26Å; I789-T791 PolarHBondContact O-N 2.93Å; I789-L793 HydrophobicContact CG2-CD1 3.72Å; I789-L793 HydrophobicContact CG2-CG 4.06Å
790	R	54.5	Low	58.9	Low	94 Å²	94	72 Å²	72	36%	0.355	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-53.8	-33	-168.5	-165.2	179.7	-175.2	-178.1	4.1	114.8	M641 D643 S788 N792	M641-R790 HydrophobicContact CE-CB 4.46Å; D643-R790 IonicContact OD2-CZ 3.38Å; D643-R790 IonicContact OD2-NH1 3Å; D643-R790 PolarHBondContact OD2-NH1 3.47Å; D643-R790 IonicContact OD2-NH2 2.79Å; D643-R790 PolarHBondContact OD2-NH2 3.25Å; S788-R790 PolarHBondContact O-N 2.95Å; R790-N792 VanDerWaalsContact C-N 3.26Å; R790-N792 PolarHBondContact O-N 2.84Å
791	T	52.7	Low	61.6	Low	105 Å²	105	68.5 Å²	68.5	64%	0.644	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-71.3	-17.5	-164.3	59	0	0	0	0	114.7	I789	I789-T791 VanDerWaalsContact C-N 3.26Å; I789-T791 PolarHBondContact O-N 2.93Å
792	N	64.4	Low	64.4	Low	67 Å²	67	62.5 Å²	62.5	36%	0.358	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-124.9	2.6	-166	-63.3	-8.8	0	0	0	115	F770 R790	F770-N792 VanDerWaalsContact CE1-O 3.27Å; F770-N792 WeakPolarHBondContact CE1-O 3.34Å; F770-N792 WeakPolarHBondContact CZ-O 3.41Å; R790-N792 VanDerWaalsContact C-N 3.26Å; R790-N792 PolarHBondContact O-N 2.84Å
793	L	74.3	Confident	67.1	Low	24 Å²	24	60.7 Å²	60.7	13%	0.126	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-89.3	141.9	-178.2	-67	-177.9	0	0	0	112.3	L652 I654 I789	L652-L793 HydrophobicContact CD2-CD1 4.11Å; L652-L793 HydrophobicContact CG-CD1 4.31Å; I654-L793 HydrophobicContact CG2-CD1 4.06Å; I789-L793 HydrophobicContact CG2-CD1 3.72Å; I789-L793 HydrophobicContact CG2-CG 4.06Å
794	P	82	Confident	69.6	Low	27 Å²	27	65.6 Å²	65.6	18%	0.175	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-65.6	137.7	172.4	28.2	-31.9	0	0	0	110	G670 V671 E672 V767 F770	G670-P794 VanDerWaalsContact O-CD 3.28Å; G670-P794 WeakPolarHBondContact O-CD 3.43Å; G670-P794 WeakPolarHBondContact O-CG 3.32Å; V671-P794 WeakPolarHBondContact CG2-O 3.09Å; E672-P794 PolarHBondContact N-O 3.44Å; V767-P794 HydrophobicContact CG1-CB 4.48Å; V767-P794 HydrophobicContact CG1-CG 3.68Å; V767-P794 HydrophobicContact CG2-CG 4.03Å; F770-P794 HydrophobicContact CD2-CG 4.36Å; F770-P794 HydrophobicContact CE2-CB 4.01Å; F770-P794 HydrophobicContact CE2-CG 3.68Å; F770-P794 HydrophobicContact CZ-CG 4.4Å
795	R	81.5	Confident	71.7	Confident	140 Å²	140	64 Å²	64	53%	0.528	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.5	175.6	-51.3	-175.6	86.2	-159.1	-2.1	109.2	E672 F674	E672-R795 HydrophobicContact CB-CG 4.23Å; E672-R795 CarbonylContact O-C 3.51Å; E672-R795 WeakPolarHBondContact O-CA 3.43Å; E672-R795 IonicContact OE1-CZ 3.46Å; E672-R795 IonicContact OE1-NE 3.28Å; E672-R795 PolarHBondContact OE1-NE 3.28Å; E672-R795 IonicContact OE1-NH2 2.82Å; E672-R795 PolarHBondContact OE1-NH2 2.9Å; E672-R795 WeakPolarHBondContact OE2-CD 3.35Å; E672-R795 WeakPolarHBondContact OE2-CG 3.35Å; E672-R795 IonicContact OE2-CZ 3.72Å; E672-R795 IonicContact OE2-NE 2.86Å; E672-R795 PolarHBondContact OE2-NE 3.48Å; E672-R795 IonicContact OE2-NH2 3.83Å; F674-R795 HydrophobicContact CD1-CB 4.49Å; F674-R795 HydrophobicContact CE1-CB 4.23Å
796	R	85.3	Confident	73.8	Confident	87 Å²	87	62 Å²	62	33%	0.328	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.4	177.3	-72.6	-68.4	-165.5	169.4	1.7	109.8	V671 E672 L673 F674 G766 F801	V671-R796 HydrophobicContact CG2-CB 3.86Å; V671-R796 HydrophobicContact CG2-CG 3.72Å; E672-R796 PolarHBondContact O-N 3.33Å; L673-R796 WeakPolarHBondContact CA-O 3.43Å; L673-R796 HydrophobicContact CD2-CB 3.95Å; F674-R796 VanDerWaalsContact CD1-O 3.31Å; F674-R796 WeakPolarHBondContact CD1-O 3.35Å; F674-R796 WeakPolarHBondContact CE1-O 3.19Å; F674-R796 PolarHBondContact N-O 3.19Å; G766-R796 PolarHBondContact O-NH2 3.48Å; R796-F801 HydrophobicContact CB-CE2 4.11Å; R796-F801 HydrophobicContact CG-CE2 4.49Å
797	N	85.5	Confident	75.8	Confident	14 Å²	14	61 Å²	61	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123	177.1	-166.8	-12.3	0	0	0	109.5	F674 D676 S799 E800 F801	F674-N797 HydrophobicContact CD2-CB 4.41Å; F674-N797 HydrophobicContact CE1-CB 4.19Å; F674-N797 HydrophobicContact CE2-CB 3.66Å; F674-N797 VanDerWaalsContact CE2-CG 3.43Å; F674-N797 HydrophobicContact CZ-CB 3.53Å; F674-N797 PolarHBondContact O-OD1 3.37Å; D676-N797 PolarHBondContact OD1-ND2 2.84Å; D676-N797 PolarHBondContact OD1-OD1 3.39Å; D676-N797 PolarHBondContact OD2-ND2 2.89Å; N797-S799 PolarHBondContact ND2-OG 3.42Å; N797-S799 PolarHBondContact O-N 3.47Å; N797-S799 PolarHBondContact OD1-N 3.28Å; N797-S799 PolarHBondContact OD1-OG 3.03Å; N797-E800 HydrophobicContact CB-CG 4.1Å; N797-E800 WeakPolarHBondContact O-CB 3.39Å; N797-E800 PolarHBondContact O-N 2.94Å; N797-F801 VanDerWaalsContact O-CD2 3.31Å; N797-F801 WeakPolarHBondContact O-CD2 3.38Å
798	L	85.6	Confident	77.8	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63	-30.7	-177.5	-174.6	64.7	0	0	0	111.9	F674 L675 L704 V758 I763 E800 F801 I802	F674-L798 WeakPolarHBondContact O-CB 3.44Å; F674-L798 PolarHBondContact O-N 3.47Å; L675-L798 HydrophobicContact CB-CB 4.39Å; L675-L798 HydrophobicContact CD1-CB 4.04Å; L675-L798 HydrophobicContact CD1-CD2 4.19Å; L675-L798 HydrophobicContact CD1-CG 4.34Å; L704-L798 HydrophobicContact CD1-CD2 3.81Å; V758-L798 HydrophobicContact CB-CD1 4.19Å; V758-L798 HydrophobicContact CG1-CD1 3.5Å; V758-L798 VanDerWaalsContact CG1-CD1 3.5Å; V758-L798 HydrophobicContact CG2-CD1 3.68Å; V758-L798 HydrophobicContact CG2-CD2 4Å; V758-L798 HydrophobicContact CG2-CG 4.41Å; I763-L798 HydrophobicContact CD1-CD1 4.26Å; L798-E800 PolarHBondContact O-N 2.91Å; L798-E800 VanDerWaalsContact O-N 3.16Å; L798-F801 PolarHBondContact O-N 3.43Å; L798-I802 HydrophobicContact CD1-CG2 4.15Å; L798-I802 HydrophobicContact CG-CD1 4.32Å; L798-I802 HydrophobicContact CG-CG2 4.13Å; L798-I802 WeakPolarHBondContact O-CG1 3.33Å; L798-I802 PolarHBondContact O-N 2.98Å
799	S	84.1	Confident	79.6	Confident	32 Å²	32	57.3 Å²	57.3	22%	0.224	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.5	178.5	66.3	0	0	0	0	113.9	D676 A677 N797 F801	D676-S799 VanDerWaalsContact OD1-CB 3.24Å; D676-S799 WeakPolarHBondContact OD1-CB 3.28Å; D676-S799 PolarHBondContact OD1-OG 2.92Å; A677-S799 WeakPolarHBondContact O-CB 3.29Å; N797-S799 PolarHBondContact ND2-OG 3.42Å; N797-S799 PolarHBondContact O-N 3.47Å; N797-S799 PolarHBondContact OD1-N 3.28Å; N797-S799 PolarHBondContact OD1-OG 3.03Å; S799-F801 VanDerWaalsContact C-N 3.3Å; S799-F801 PolarHBondContact O-N 2.88Å
800	E	84.3	Confident	81.2	Confident	125 Å²	125	57.3 Å²	57.3	58%	0.584	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-73.7	-20.9	176.9	-66	172	-171.4	0	0	112.9	N797 L798	N797-E800 HydrophobicContact CB-CG 4.1Å; N797-E800 WeakPolarHBondContact O-CB 3.39Å; N797-E800 PolarHBondContact O-N 2.94Å; L798-E800 PolarHBondContact O-N 2.91Å; L798-E800 VanDerWaalsContact O-N 3.16Å
801	F	84.6	Confident	82.8	Confident	32 Å²	32	55.5 Å²	55.5	14%	0.14	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-9.7	-171.5	-59.4	-85	0	0	0	114	P759 I763 R796 N797 L798 S799	P759-F801 HydrophobicContact CG-CB 4.44Å; I763-F801 HydrophobicContact CD1-CB 4.07Å; I763-F801 HydrophobicContact CD1-CD2 4.18Å; I763-F801 HydrophobicContact CD1-CG 4Å; I763-F801 HydrophobicContact CG1-CB 4.13Å; I763-F801 HydrophobicContact CG1-CD1 3.69Å; I763-F801 HydrophobicContact CG1-CD2 4.05Å; I763-F801 HydrophobicContact CG1-CE1 4.07Å; I763-F801 HydrophobicContact CG1-CE2 4.42Å; I763-F801 HydrophobicContact CG1-CG 3.67Å; I763-F801 HydrophobicContact CG1-CZ 4.42Å; R796-F801 HydrophobicContact CB-CE2 4.11Å; R796-F801 HydrophobicContact CG-CE2 4.49Å; N797-F801 VanDerWaalsContact O-CD2 3.31Å; N797-F801 WeakPolarHBondContact O-CD2 3.38Å; L798-F801 PolarHBondContact O-N 3.43Å; S799-F801 VanDerWaalsContact C-N 3.3Å; S799-F801 PolarHBondContact O-N 2.88Å
802	I	85.2	Confident	84.6	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.036	28%	0.282	C	S	.	.			trans	-107.2	133.8	-179.8	63.7	-178.7	0	0	0	110.3	L675 P679 V756 L798 I807	L675-I802 HydrophobicContact CD1-CD1 4.03Å; P679-I802 HydrophobicContact CG-CG1 4.08Å; P679-I802 WeakPolarHBondContact CG-O 3.46Å; V756-I802 HydrophobicContact CG1-CD1 4.05Å; V756-I802 HydrophobicContact CG1-CG2 3.97Å; L798-I802 HydrophobicContact CD1-CG2 4.15Å; L798-I802 HydrophobicContact CG-CD1 4.32Å; L798-I802 HydrophobicContact CG-CG2 4.13Å; L798-I802 WeakPolarHBondContact O-CG1 3.33Å; L798-I802 PolarHBondContact O-N 2.98Å; I802-I807 HydrophobicContact CB-CD1 4.46Å; I802-I807 HydrophobicContact CD1-CD1 4.04Å; I802-I807 HydrophobicContact CG1-CD1 4.24Å
803	T	84.2	Confident	86	Confident	63 Å²	63	54 Å²	54	39%	0.387	27%	0.267	S	S	.	.			trans	-106.9	173.2	172.3	75	0	0	0	0	110.5	V8 G805 N806 I807	V8-T803 HydrophobicContact CG2-CG2 4.32Å; T803-G805 PolarHBondContact O-N 3.27Å; T803-G805 VanDerWaalsContact O-N 3.17Å; T803-G805 PolarHBondContact OG1-N 3.32Å; T803-N806 PolarHBondContact N-OD1 3.31Å; T803-N806 PolarHBondContact O-N 3.46Å; T803-N806 PolarHBondContact OG1-OD1 2.88Å; T803-I807 WeakPolarHBondContact O-CD1 3.4Å
804	R	82.2	Confident	86.8	Confident	192 Å²	192	52.9 Å²	52.9	73%	0.725	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.6	173.6	-75.7	-172.3	179.7	-175.3	0.9	113.2	P679 N806 I807	P679-R804 HydrophobicContact CB-CG 3.97Å; R804-N806 VanDerWaalsContact C-N 3.29Å; R804-N806 PolarHBondContact O-N 2.95Å; R804-I807 PolarHBondContact O-N 3.33Å
805	G	82.1	Confident	87.2	Confident	39 Å²	39	53.5 Å²	53.5	40%	0.402	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-71	-23.7	177.7	0	0	0	0	0	113.7	T803 I807	T803-G805 PolarHBondContact O-N 3.27Å; T803-G805 VanDerWaalsContact O-N 3.17Å; T803-G805 PolarHBondContact OG1-N 3.32Å; G805-I807 VanDerWaalsContact C-N 3.29Å; G805-I807 PolarHBondContact O-N 3.47Å
806	N	84	Confident	87.7	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-85.8	-0.4	-178.9	-58.1	102.1	0	0	0	113.2	M757 T803 R804	M757-N806 HydrophobicContact CB-CB 4.14Å; M757-N806 WeakPolarHBondContact CB-O 3.29Å; M757-N806 PolarHBondContact N-O 3.09Å; T803-N806 PolarHBondContact N-OD1 3.31Å; T803-N806 PolarHBondContact O-N 3.46Å; T803-N806 PolarHBondContact OG1-OD1 2.88Å; R804-N806 VanDerWaalsContact C-N 3.29Å; R804-N806 PolarHBondContact O-N 2.95Å
807	I	89.7	Confident	88.1	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.6	-168.7	-59.8	158	0	0	0	109.2	I678 P679 W754 L755 V756 I802 T803 R804 G805	I678-I807 HydrophobicContact CG2-CD1 3.96Å; I678-I807 HydrophobicContact CG2-CG2 4.05Å; P679-I807 HydrophobicContact CB-CD1 3.91Å; P679-I807 VanDerWaalsContact CD-CD1 3.48Å; P679-I807 HydrophobicContact CG-CD1 3.71Å; W754-I807 HydrophobicContact CB-CG2 4.15Å; W754-I807 HydrophobicContact CG-CG2 4.31Å; L755-I807 WeakPolarHBondContact O-CA 3.47Å; V756-I807 HydrophobicContact CG1-CG1 4.38Å; V756-I807 HydrophobicContact CG2-CG1 4.49Å; I802-I807 HydrophobicContact CB-CD1 4.46Å; I802-I807 HydrophobicContact CD1-CD1 4.04Å; I802-I807 HydrophobicContact CG1-CD1 4.24Å; T803-I807 WeakPolarHBondContact O-CD1 3.4Å; R804-I807 PolarHBondContact O-N 3.33Å; G805-I807 VanDerWaalsContact C-N 3.29Å; G805-I807 PolarHBondContact O-N 3.47Å
808	E	92.4	Very high	88.5	Confident	50 Å²	50	45.8 Å²	45.8	23%	0.234	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.2	170.6	169.2	66.6	175.6	0	0	109.4	Y13 W754 L755 L810 Y839	Y13-E808 HydrophobicContact CD2-CB 3.53Å; Y13-E808 HydrophobicContact CE2-CB 4.08Å; Y13-E808 HydrophobicContact CG-CB 3.88Å; W754-E808 WeakPolarHBondContact CA-O 3.2Å; L755-E808 HydrophobicContact CB-CB 4.31Å; L755-E808 PolarHBondContact N-O 2.82Å; L755-E808 PolarHBondContact O-N 2.74Å; E808-L810 HydrophobicContact CG-CD2 4.33Å; E808-Y839 HydrophobicContact CG-CE1 3.7Å; E808-Y839 WeakPolarHBondContact OE1-CE1 3.49Å; E808-Y839 PolarHBondContact OE1-OH 2.87Å
809	A	92.1	Very high	88.9	Confident	63 Å²	63	46.3 Å²	46.3	52%	0.521	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.3	177.1	0	0	0	0	0	110.1
810	L	93.3	Very high	89.2	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.084	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140	-176.2	-59.4	173.1	0	0	0	110.7	S753 L755 E808 W812 A814 V828 F830 Y839	S753-L810 WeakPolarHBondContact O-CB 3.45Å; S753-L810 PolarHBondContact O-N 2.83Å; L755-L810 HydrophobicContact CB-CD1 4.24Å; L755-L810 HydrophobicContact CB-CD2 4.38Å; L755-L810 HydrophobicContact CB-CG 4.43Å; E808-L810 HydrophobicContact CG-CD2 4.33Å; L810-W812 VanDerWaalsContact C-N 3.29Å; L810-W812 PolarHBondContact O-N 3.49Å; L810-A814 HydrophobicContact CD1-CB 3.49Å; L810-A814 VanDerWaalsContact CD1-CB 3.49Å; L810-V828 HydrophobicContact CD1-CG1 4.12Å; L810-F830 HydrophobicContact CB-CE1 4.21Å; L810-Y839 HydrophobicContact CD2-CE2 4.27Å; L810-Y839 WeakPolarHBondContact CD2-OH 3.35Å
811	P	89.6	Confident	89.3	Confident	56 Å²	56	40.3 Å²	40.3	36%	0.364	21%	0.213	S	C	.	.	S	Bend	trans	-71.3	-22.7	-174.8	31.5	-42.5	0	0	0	113.7	F830 R837	P811-F830 HydrophobicContact CG-CE1 4.39Å; P811-F830 HydrophobicContact CG-CZ 4.19Å; P811-R837 VanDerWaalsContact CD-CZ 3.42Å
812	W	90.8	Very high	89.3	Confident	128 Å²	128	45.8 Å²	45.8	49%	0.485	24%	0.244	S	C	.	.	S	Bend	trans	-140.5	166.6	-175.4	-54.2	-66.1	0	0	0	109.6	T18 L810 A814 F830 T835	T18-W812 HydrophobicContact CG2-CH2 4.26Å; T18-W812 HydrophobicContact CG2-CZ3 4.03Å; L810-W812 VanDerWaalsContact C-N 3.29Å; L810-W812 PolarHBondContact O-N 3.49Å; W812-A814 PolarHBondContact O-N 2.92Å; W812-A814 VanDerWaalsContact O-N 3.1Å; W812-F830 HydrophobicContact CB-CD1 3.66Å; W812-F830 HydrophobicContact CB-CE1 4.12Å; W812-F830 HydrophobicContact CB-CG 4.18Å; W812-F830 HydrophobicContact CE3-CD1 4.3Å; W812-F830 AromaticContact CE3-CD2 3.98Å; W812-F830 HydrophobicContact CE3-CD2 3.98Å; W812-F830 HydrophobicContact CE3-CE1 4.21Å; W812-F830 AromaticContact CE3-CE2 3.92Å; W812-F830 HydrophobicContact CE3-CE2 3.92Å; W812-F830 HydrophobicContact CE3-CG 4.19Å; W812-F830 HydrophobicContact CE3-CZ 4.03Å; W812-F830 HydrophobicContact CZ3-CE2 4.3Å; W812-F830 WeakPolarHBondContact O-CD1 3.38Å; W812-F830 WeakPolarHBondContact O-CE1 3.21Å; W812-T835 HydrophobicContact CE3-CG2 4.05Å; W812-T835 HydrophobicContact CZ3-CG2 3.77Å
813	H	92.1	Very high	89.5	Confident	13 Å²	13	51.9 Å²	51.9	6%	0.06	27%	0.266	C	S	.	.			trans	-64	113.1	176.9	-173.3	38.7	0	0	0	111.1	M751 S753 F830 E831	M751-H813 HydrophobicContact CB-CB 3.98Å; S753-H813 WeakPolarHBondContact OG-CA 3.13Å; S753-H813 PolarHBondContact OG-ND1 3.5Å; S753-H813 VanDerWaalsContact OG-ND1 3.11Å; H813-F830 WeakPolarHBondContact O-CA 3.32Å; H813-E831 HydrophobicContact CB-CB 4.34Å; H813-E831 IonicContact CD2-OE1 3.3Å; H813-E831 IonicContact CD2-OE2 2.75Å; H813-E831 PolarHBondContact O-N 2.94Å
814	A	92.5	Very high	89.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.4	177.6	0	0	0	0	0	110.6	I705 S753 L810 W812 V828 F830	I705-A814 HydrophobicContact CD1-CB 4.05Å; I705-A814 HydrophobicContact CG1-CB 4.47Å; I705-A814 HydrophobicContact CG2-CB 3.86Å; S753-A814 PolarHBondContact OG-N 3.47Å; L810-A814 HydrophobicContact CD1-CB 3.49Å; L810-A814 VanDerWaalsContact CD1-CB 3.49Å; W812-A814 PolarHBondContact O-N 2.92Å; W812-A814 VanDerWaalsContact O-N 3.1Å; A814-V828 HydrophobicContact CB-CG1 3.64Å; A814-F830 HydrophobicContact CB-CD1 4.04Å; A814-F830 HydrophobicContact CB-CE1 4.07Å
815	I	90.1	Very high	90.4	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.205	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-19.7	-171.7	57.5	163.4	0	0	0	113.5	L829 E831 H833	I815-L829 HydrophobicContact CD1-CD2 4.26Å; I815-L829 HydrophobicContact CD1-CG 4.43Å; I815-L829 HydrophobicContact CG1-CG 4.42Å; I815-L829 WeakPolarHBondContact CG1-O 3.23Å; I815-L829 PolarHBondContact N-O 3.36Å; I815-E831 HydrophobicContact CG2-CB 3.89Å; I815-E831 HydrophobicContact CG2-CG 4.32Å; I815-H833 WeakPolarHBondContact CD1-CE1 3.43Å
816	K	91.6	Very high	91	Very high	70 Å²	70	39.9 Å²	39.9	30%	0.304	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	142.9	-175.2	-169.5	166.9	-176.8	165.7	0	111.5	D693 I705 L829	D693-K816 VanDerWaalsContact OD2-CA 3.28Å; D693-K816 WeakPolarHBondContact OD2-CA 3.41Å; D693-K816 WeakPolarHBondContact OD2-CG 3.39Å; I705-K816 VanDerWaalsContact CD1-C 3.42Å; K816-L829 HydrophobicContact CB-CB 4.21Å; K816-L829 PolarHBondContact N-O 3Å; K816-L829 PolarHBondContact O-N 3.4Å
817	L	94	Very high	91.6	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.3	171.8	72.7	98	0	0	0	111.6	D693 Q695 L703 I705 L755 F827	D693-L817 HydrophobicContact CB-CD2 4.44Å; D693-L817 PolarHBondContact OD2-N 2.93Å; Q695-L817 HydrophobicContact CB-CD1 3.51Å; Q695-L817 HydrophobicContact CB-CG 4.49Å; L703-L817 HydrophobicContact CB-CD1 4.19Å; L703-L817 HydrophobicContact CB-CD2 4.39Å; I705-L817 HydrophobicContact CB-CD2 4.45Å; I705-L817 HydrophobicContact CD1-CB 3.69Å; I705-L817 HydrophobicContact CD1-CD2 3.94Å; I705-L817 HydrophobicContact CD1-CG 4.3Å; I705-L817 HydrophobicContact CG1-CB 4.26Å; I705-L817 HydrophobicContact CG1-CD2 3.7Å; L755-L817 HydrophobicContact CD1-CD2 4.42Å; L817-F827 CarbonylContact C-O 3.6Å; L817-F827 VanDerWaalsContact CA-O 3.24Å; L817-F827 WeakPolarHBondContact CA-O 3.45Å
818	T	93.9	Very high	91.9	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.2	163.1	-175.9	0	0	0	0	110.8	C29 W31 I38 F827	C29-T818 HydrophobicContact CB-CG2 4.4Å; W31-T818 VanDerWaalsContact CD1-C 3.43Å; W31-T818 VanDerWaalsContact CD1-O 3.3Å; W31-T818 HydrophobicContact CG-CG2 4.5Å; W31-T818 PolarHBondContact NE1-O 3.4Å; I38-T818 HydrophobicContact CD1-CG2 4.1Å; T818-F827 HydrophobicContact CG2-CB 3.76Å; T818-F827 HydrophobicContact CG2-CD1 3.92Å; T818-F827 HydrophobicContact CG2-CG 4.15Å; T818-F827 PolarHBondContact N-O 3.12Å; T818-F827 PolarHBondContact O-N 3.19Å
819	T	93.9	Very high	92	Very high	12 Å²	12	36.4 Å²	36.4	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.4	-178.2	-176.5	0	0	0	0	113.6	Q695 Y697 L703 I825	Q695-T819 HydrophobicContact CG-CG2 4.39Å; Y697-T819 HydrophobicContact CD2-CG2 4.45Å; Y697-T819 VanDerWaalsContact CD2-OG1 3.26Å; Y697-T819 WeakPolarHBondContact CD2-OG1 3.35Å; L703-T819 HydrophobicContact CD1-CG2 4.12Å; T819-I825 WeakPolarHBondContact CA-O 3.36Å; T819-I825 PolarHBondContact OG1-O 2.93Å
820	N	91.3	Very high	92.1	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	106.1	160	177.9	-14.8	0	0	0	108.5	W31 S32 P33 D822 R823 S824 I825	W31-N820 HydrophobicContact CB-CB 3.91Å; W31-N820 HydrophobicContact CG-CB 4.25Å; S32-N820 PolarHBondContact O-ND2 2.98Å; P33-N820 PolarHBondContact O-ND2 3.28Å; P33-N820 VanDerWaalsContact O-ND2 3.17Å; N820-D822 PolarHBondContact O-N 3.49Å; N820-D822 PolarHBondContact OD1-N 3.41Å; N820-R823 HydrophobicContact CB-CB 4.39Å; N820-R823 PolarHBondContact O-N 3.37Å; N820-R823 PolarHBondContact OD1-N 3.29Å; N820-S824 PolarHBondContact O-N 3.17Å; N820-S824 VanDerWaalsContact O-N 3.12Å; N820-I825 HydrophobicContact CB-CD1 4.16Å; N820-I825 HydrophobicContact CB-CG1 3.82Å; N820-I825 PolarHBondContact N-O 3.36Å; N820-I825 PolarHBondContact O-N 3.06Å
821	G	85.5	Confident	91.9	Very high	21 Å²	21	36.8 Å²	36.8	22%	0.216	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.6	-34.5	-178.8	0	0	0	0	0	114.4	Y697 R823 S824	Y697-G821 WeakPolarHBondContact O-CA 3.49Å; Y697-G821 PolarHBondContact OH-O 2.97Å; G821-R823 PolarHBondContact O-N 3.17Å; G821-S824 PolarHBondContact O-N 3.32Å
822	D	85.4	Confident	91.8	Very high	147 Å²	147	37.5 Å²	37.5	79%	0.786	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-68.9	-21.7	179.3	-67.6	-14.8	0	0	0	112.4	N820	N820-D822 PolarHBondContact O-N 3.49Å; N820-D822 PolarHBondContact OD1-N 3.41Å
823	R	89.1	Confident	91.7	Very high	134 Å²	134	34.8 Å²	34.8	51%	0.506	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-108.3	3.8	178.5	-65.5	-59.9	-170.2	170.5	-0.6	113.2	K34 N820 G821 I825	K34-R823 PolarHBondContact O-NE 3.49Å; K34-R823 PolarHBondContact O-NH2 3.24Å; N820-R823 HydrophobicContact CB-CB 4.39Å; N820-R823 PolarHBondContact O-N 3.37Å; N820-R823 PolarHBondContact OD1-N 3.29Å; G821-R823 PolarHBondContact O-N 3.17Å; R823-I825 HydrophobicContact CB-CD1 3.78Å; R823-I825 HydrophobicContact CB-CG1 3.87Å; R823-I825 PolarHBondContact O-N 3.49Å
824	S	91.9	Very high	91.6	Very high	38 Å²	38	35 Å²	35	27%	0.266	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.2	-178.6	-57.3	0	0	0	0	114.5	Y697 N820 G821 L840 M841	Y697-S824 VanDerWaalsContact OH-CA 3.3Å; Y697-S824 WeakPolarHBondContact OH-CA 3.33Å; Y697-S824 PolarHBondContact OH-OG 3.2Å; N820-S824 PolarHBondContact O-N 3.17Å; N820-S824 VanDerWaalsContact O-N 3.12Å; G821-S824 PolarHBondContact O-N 3.32Å; S824-L840 CarbonylContact O-C 3.59Å; S824-L840 VanDerWaalsContact O-CA 3.27Å; S824-L840 WeakPolarHBondContact O-CA 3.34Å; S824-M841 WeakPolarHBondContact CB-O 3.12Å; S824-M841 PolarHBondContact O-N 3.11Å
825	I	93.5	Very high	91.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.6	-176.7	52.3	-172.8	0	0	0	112	W31 T819 N820 R823 Y839 L840	W31-I825 HydrophobicContact CD2-CD1 3.76Å; W31-I825 HydrophobicContact CD2-CG1 4.12Å; W31-I825 HydrophobicContact CE3-CD1 3.41Å; W31-I825 VanDerWaalsContact CE3-CD1 3.41Å; W31-I825 HydrophobicContact CE3-CG1 4.27Å; W31-I825 HydrophobicContact CH2-CD1 4Å; W31-I825 HydrophobicContact CZ2-CB 4.27Å; W31-I825 HydrophobicContact CZ2-CD1 4.26Å; W31-I825 HydrophobicContact CZ2-CG1 4.36Å; W31-I825 HydrophobicContact CZ3-CD1 3.57Å; W31-I825 HydrophobicContact CZ3-CG1 4.5Å; T819-I825 WeakPolarHBondContact CA-O 3.36Å; T819-I825 PolarHBondContact OG1-O 2.93Å; N820-I825 HydrophobicContact CB-CD1 4.16Å; N820-I825 HydrophobicContact CB-CG1 3.82Å; N820-I825 PolarHBondContact N-O 3.36Å; N820-I825 PolarHBondContact O-N 3.06Å; R823-I825 HydrophobicContact CB-CD1 3.78Å; R823-I825 HydrophobicContact CB-CG1 3.87Å; R823-I825 PolarHBondContact O-N 3.49Å; I825-Y839 WeakPolarHBondContact CA-O 3.23Å; I825-L840 HydrophobicContact CG2-CD2 3.39Å; I825-L840 HydrophobicContact CG2-CG 4.36Å
826	V	95.1	Very high	91.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135	177.6	-175.6	0	0	0	0	109.4	L703 L755 V828 V838 Y839 M841	L703-V826 HydrophobicContact CD1-CG1 4.1Å; L703-V826 HydrophobicContact CD1-CG2 3.68Å; L755-V826 HydrophobicContact CD2-CG1 4.18Å; V826-V828 HydrophobicContact CG1-CG2 4.4Å; V826-V838 CarbonylContact O-C 3.56Å; V826-V838 WeakPolarHBondContact O-CA 3.49Å; V826-Y839 PolarHBondContact N-O 2.98Å; V826-Y839 PolarHBondContact O-N 3.44Å; V826-M841 HydrophobicContact CG2-CG 3.89Å; V826-M841 HydrophobicContact CG2-SD 3.81Å
827	F	95.8	Very high	92	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.4	175.2	177	-87	0	0	0	109.2	C29 W31 I38 L40 M54 L817 T818 L829 C836 R837 V838	C29-F827 HydrophobicContact CB-CD1 4.42Å; C29-F827 HydrophobicContact CB-CE1 4.01Å; W31-F827 HydrophobicContact CZ2-CB 3.72Å; I38-F827 HydrophobicContact CD1-CB 3.83Å; I38-F827 HydrophobicContact CD1-CD1 3.99Å; I38-F827 HydrophobicContact CD1-CD2 3.32Å; I38-F827 HydrophobicContact CD1-CE1 4.35Å; I38-F827 HydrophobicContact CD1-CE2 3.76Å; I38-F827 HydrophobicContact CD1-CG 3.45Å; I38-F827 VanDerWaalsContact CD1-CG 3.45Å; I38-F827 HydrophobicContact CD1-CZ 4.25Å; L40-F827 HydrophobicContact CD2-CE2 4.4Å; L40-F827 HydrophobicContact CD2-CZ 4.06Å; M54-F827 HydrophobicContact CE-CE2 4.02Å; M54-F827 HydrophobicContact SD-CD2 4.29Å; M54-F827 HydrophobicContact SD-CE2 3.94Å; L817-F827 CarbonylContact C-O 3.6Å; L817-F827 VanDerWaalsContact CA-O 3.24Å; L817-F827 WeakPolarHBondContact CA-O 3.45Å; T818-F827 HydrophobicContact CG2-CB 3.76Å; T818-F827 HydrophobicContact CG2-CD1 3.92Å; T818-F827 HydrophobicContact CG2-CG 4.15Å; T818-F827 PolarHBondContact N-O 3.12Å; T818-F827 PolarHBondContact O-N 3.19Å; F827-L829 HydrophobicContact CE1-CB 4.01Å; F827-L829 HydrophobicContact CE1-CD1 4.45Å; F827-C836 HydrophobicContact CD2-CB 4.37Å; F827-C836 HydrophobicContact CE1-CB 4.09Å; F827-C836 HydrophobicContact CE2-CB 3.45Å; F827-C836 VanDerWaalsContact CE2-CB 3.45Å; F827-C836 VanDerWaalsContact CE2-SG 3.56Å; F827-C836 HydrophobicContact CZ-CB 3.28Å; F827-R837 CarbonylContact C-O 3.44Å; F827-R837 WeakPolarHBondContact CA-O 3.49Å; F827-V838 HydrophobicContact CD2-CG2 3.82Å
828	V	96.1	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.7	178.5	179.8	0	0	0	0	109.4	I705 L755 L810 A814 V826 F830 C836 R837 Y839	I705-V828 HydrophobicContact CD1-CG1 4.28Å; L755-V828 HydrophobicContact CD2-CG2 4.13Å; L810-V828 HydrophobicContact CD1-CG1 4.12Å; A814-V828 HydrophobicContact CB-CG1 3.64Å; V826-V828 HydrophobicContact CG1-CG2 4.4Å; V828-F830 HydrophobicContact CG1-CE1 4.38Å; V828-F830 HydrophobicContact CG1-CZ 4.27Å; V828-C836 CarbonylContact O-C 3.54Å; V828-C836 WeakPolarHBondContact O-CA 3.16Å; V828-C836 WeakPolarHBondContact O-CB 3.34Å; V828-R837 PolarHBondContact N-O 2.7Å; V828-R837 PolarHBondContact O-N 3.38Å; V828-Y839 HydrophobicContact CG2-CD2 4.24Å; V828-Y839 HydrophobicContact CG2-CE2 4.11Å
829	L	94.3	Very high	92.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.8	176.4	-172.8	67.8	0	0	0	110.9	I26 I815 K816 F827 C836	I26-L829 HydrophobicContact CB-CD1 4.19Å; I26-L829 HydrophobicContact CB-CD2 4.24Å; I26-L829 HydrophobicContact CD1-CD1 3.86Å; I26-L829 HydrophobicContact CG2-CD2 4.2Å; I815-L829 HydrophobicContact CD1-CD2 4.26Å; I815-L829 HydrophobicContact CD1-CG 4.43Å; I815-L829 HydrophobicContact CG1-CG 4.42Å; I815-L829 WeakPolarHBondContact CG1-O 3.23Å; I815-L829 PolarHBondContact N-O 3.36Å; K816-L829 HydrophobicContact CB-CB 4.21Å; K816-L829 PolarHBondContact N-O 3Å; K816-L829 PolarHBondContact O-N 3.4Å; F827-L829 HydrophobicContact CE1-CB 4.01Å; F827-L829 HydrophobicContact CE1-CD1 4.45Å; L829-C836 HydrophobicContact CD1-CB 4.36Å
830	F	94	Very high	92	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	161.9	-179.8	-61.2	-76.2	0	0	0	113.2	L810 P811 W812 H813 A814 V828 N832 H833 T835 R837	L810-F830 HydrophobicContact CB-CE1 4.21Å; P811-F830 HydrophobicContact CG-CE1 4.39Å; P811-F830 HydrophobicContact CG-CZ 4.19Å; W812-F830 HydrophobicContact CB-CD1 3.66Å; W812-F830 HydrophobicContact CB-CE1 4.12Å; W812-F830 HydrophobicContact CB-CG 4.18Å; W812-F830 HydrophobicContact CE3-CD1 4.3Å; W812-F830 AromaticContact CE3-CD2 3.98Å; W812-F830 HydrophobicContact CE3-CD2 3.98Å; W812-F830 HydrophobicContact CE3-CE1 4.21Å; W812-F830 AromaticContact CE3-CE2 3.92Å; W812-F830 HydrophobicContact CE3-CE2 3.92Å; W812-F830 HydrophobicContact CE3-CG 4.19Å; W812-F830 HydrophobicContact CE3-CZ 4.03Å; W812-F830 HydrophobicContact CZ3-CE2 4.3Å; W812-F830 WeakPolarHBondContact O-CD1 3.38Å; W812-F830 WeakPolarHBondContact O-CE1 3.21Å; H813-F830 WeakPolarHBondContact O-CA 3.32Å; A814-F830 HydrophobicContact CB-CD1 4.04Å; A814-F830 HydrophobicContact CB-CE1 4.07Å; V828-F830 HydrophobicContact CG1-CE1 4.38Å; V828-F830 HydrophobicContact CG1-CZ 4.27Å; F830-N832 PolarHBondContact O-N 2.86Å; F830-H833 PolarHBondContact O-N 3.23Å; F830-T835 HydrophobicContact CD2-CG2 3.79Å; F830-T835 VanDerWaalsContact CD2-O 3.31Å; F830-T835 WeakPolarHBondContact CD2-O 3.3Å; F830-T835 HydrophobicContact CE2-CG2 4.32Å; F830-T835 PolarHBondContact N-O 3.06Å; F830-R837 HydrophobicContact CE2-CB 4.11Å; F830-R837 HydrophobicContact CE2-CG 3.85Å; F830-R837 HydrophobicContact CZ-CB 4.37Å; F830-R837 HydrophobicContact CZ-CG 4.13Å
831	E	89.3	Confident	91.9	Very high	83 Å²	83	32.2 Å²	32.2	39%	0.388	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.2	-173.2	-172.7	177.9	-149.4	0	0	114.5	R719 H813 I815 H833	R719-E831 IonicContact CZ-OE1 3.83Å; R719-E831 IonicContact NH2-OE1 2.85Å; R719-E831 PolarHBondContact NH2-OE1 3.45Å; H813-E831 HydrophobicContact CB-CB 4.34Å; H813-E831 IonicContact CD2-OE1 3.3Å; H813-E831 IonicContact CD2-OE2 2.75Å; H813-E831 PolarHBondContact O-N 2.94Å; I815-E831 HydrophobicContact CG2-CB 3.89Å; I815-E831 HydrophobicContact CG2-CG 4.32Å; E831-H833 PolarHBondContact O-CD2 3.24Å; E831-H833 PolarHBondContact O-N 3.49Å; E831-H833 VanDerWaalsContact O-N 3.16Å
832	N	87.4	Confident	91.7	Very high	71 Å²	71	35.4 Å²	35.4	38%	0.38	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-0	175	71.6	-1.5	0	0	0	113.9	F830 S834 T835	F830-N832 PolarHBondContact O-N 2.86Å; N832-S834 VanDerWaalsContact CG-OG 3.28Å; N832-S834 PolarHBondContact ND2-OG 3.08Å; N832-S834 PolarHBondContact O-N 2.94Å; N832-S834 PolarHBondContact O-OG 3.39Å; N832-S834 VanDerWaalsContact O-OG 3.06Å; N832-S834 PolarHBondContact OD1-N 2.94Å; N832-S834 PolarHBondContact OD1-OG 3.14Å; N832-T835 WeakPolarHBondContact ND2-CB 3.36Å; N832-T835 PolarHBondContact ND2-OG1 3.31Å; N832-T835 WeakPolarHBondContact OD1-CB 3.46Å; N832-T835 PolarHBondContact OD1-N 2.88Å
833	H	88.6	Confident	91.1	Very high	72 Å²	72	37.2 Å²	37.2	33%	0.333	17%	0.169	S	C	.	.	S	Bend	trans	54.8	14.4	-178.5	-65.7	-91.5	0	0	0	115	K25 I26 I815 F830 E831	K25-H833 HydrophobicContact CB-CB 3.75Å; K25-H833 HydrophobicContact CG-CB 4.12Å; I26-H833 WeakPolarHBondContact CB-O 3.39Å; I26-H833 WeakPolarHBondContact CG1-O 3.36Å; I26-H833 PolarHBondContact N-O 3.21Å; I26-H833 PolarHBondContact O-ND1 3.02Å; I815-H833 WeakPolarHBondContact CD1-CE1 3.43Å; F830-H833 PolarHBondContact O-N 3.23Å; E831-H833 PolarHBondContact O-CD2 3.24Å; E831-H833 PolarHBondContact O-N 3.49Å; E831-H833 VanDerWaalsContact O-N 3.16Å
834	S	90.4	Very high	89.9	Confident	18 Å²	18	34.2 Å²	34.2	13%	0.126	17%	0.166	C	C	.	.	S	Bend	trans	-133.7	-26.6	-173.8	48.2	0	0	0	0	112.5	Q20 L21 N832	Q20-S834 CarbonylContact C-O 3.59Å; L21-S834 PolarHBondContact N-O 3.43Å; L21-S834 WeakPolarHBondContact O-CB 3.41Å; N832-S834 VanDerWaalsContact CG-OG 3.28Å; N832-S834 PolarHBondContact ND2-OG 3.08Å; N832-S834 PolarHBondContact O-N 2.94Å; N832-S834 PolarHBondContact O-OG 3.39Å; N832-S834 VanDerWaalsContact O-OG 3.06Å; N832-S834 PolarHBondContact OD1-N 2.94Å; N832-S834 PolarHBondContact OD1-OG 3.14Å
835	T	92.3	Very high	88.1	Confident	11 Å²	11	40.9 Å²	40.9	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.9	173.4	-57.5	0	0	0	0	109.9	T18 R19 W812 F830 N832	T18-T835 HydrophobicContact CG2-CG2 4.47Å; R19-T835 CarbonylContact O-C 3.47Å; R19-T835 WeakPolarHBondContact O-CA 3.45Å; W812-T835 HydrophobicContact CE3-CG2 4.05Å; W812-T835 HydrophobicContact CZ3-CG2 3.77Å; F830-T835 HydrophobicContact CD2-CG2 3.79Å; F830-T835 VanDerWaalsContact CD2-O 3.31Å; F830-T835 WeakPolarHBondContact CD2-O 3.3Å; F830-T835 HydrophobicContact CE2-CG2 4.32Å; F830-T835 PolarHBondContact N-O 3.06Å; N832-T835 WeakPolarHBondContact ND2-CB 3.36Å; N832-T835 PolarHBondContact ND2-OG1 3.31Å; N832-T835 WeakPolarHBondContact OD1-CB 3.46Å; N832-T835 PolarHBondContact OD1-N 2.88Å
836	C	93.9	Very high	86.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.7	174.9	63.9	0	0	0	0	112.3	R19 F827 V828 L829	R19-C836 PolarHBondContact N-O 3.35Å; R19-C836 PolarHBondContact O-N 3.16Å; F827-C836 HydrophobicContact CD2-CB 4.37Å; F827-C836 HydrophobicContact CE1-CB 4.09Å; F827-C836 HydrophobicContact CE2-CB 3.45Å; F827-C836 VanDerWaalsContact CE2-CB 3.45Å; F827-C836 VanDerWaalsContact CE2-SG 3.56Å; F827-C836 HydrophobicContact CZ-CB 3.28Å; V828-C836 CarbonylContact O-C 3.54Å; V828-C836 WeakPolarHBondContact O-CA 3.16Å; V828-C836 WeakPolarHBondContact O-CB 3.34Å; L829-C836 HydrophobicContact CD1-CB 4.36Å
837	R	95.5	Very high	83.5	Confident	37 Å²	37	52.8 Å²	52.8	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.2	170.3	-85.2	-175	176.1	-170.7	-0.9	111.2	L15 E17 T18 P811 F827 V828 F830 Y839	L15-R837 HydrophobicContact CD1-CB 4.21Å; L15-R837 HydrophobicContact CD1-CG 3.98Å; E17-R837 WeakPolarHBondContact O-CA 3.38Å; T18-R837 HydrophobicContact CG2-CG 4.02Å; T18-R837 WeakPolarHBondContact OG1-CG 3.4Å; T18-R837 PolarHBondContact OG1-NE 3.3Å; T18-R837 VanDerWaalsContact OG1-NE 3.13Å; P811-R837 VanDerWaalsContact CD-CZ 3.42Å; F827-R837 CarbonylContact C-O 3.44Å; F827-R837 WeakPolarHBondContact CA-O 3.49Å; V828-R837 PolarHBondContact N-O 2.7Å; V828-R837 PolarHBondContact O-N 3.38Å; F830-R837 HydrophobicContact CE2-CB 4.11Å; F830-R837 HydrophobicContact CE2-CG 3.85Å; F830-R837 HydrophobicContact CZ-CB 4.37Å; F830-R837 HydrophobicContact CZ-CG 4.13Å; R837-Y839 HydrophobicContact CB-CD2 4.31Å; R837-Y839 HydrophobicContact CB-CE2 3.64Å; R837-Y839 VanDerWaalsContact CD-OH 3.31Å; R837-Y839 WeakPolarHBondContact CD-OH 3.26Å; R837-Y839 PolarHBondContact NH1-OH 2.79Å; R837-Y839 VanDerWaalsContact NH1-OH 3.09Å
838	V	95.7	Very high	80.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132	172.9	-178.5	0	0	0	0	109.3	V16 E17 W31 Y52 M54 V826 F827	V16-V838 HydrophobicContact CB-CG1 4.48Å; V16-V838 WeakPolarHBondContact CB-O 3.44Å; V16-V838 PolarHBondContact N-O 3.45Å; E17-V838 PolarHBondContact N-O 3.28Å; E17-V838 PolarHBondContact O-N 3.29Å; W31-V838 HydrophobicContact CH2-CG1 4.11Å; W31-V838 HydrophobicContact CZ2-CG1 4.08Å; W31-V838 HydrophobicContact CZ2-CG2 4.47Å; Y52-V838 WeakPolarHBondContact O-CG1 3.5Å; Y52-V838 WeakPolarHBondContact O-CG2 3.4Å; M54-V838 HydrophobicContact CG-CG2 4.07Å; M54-V838 HydrophobicContact SD-CG2 3.84Å; V826-V838 CarbonylContact O-C 3.56Å; V826-V838 WeakPolarHBondContact O-CA 3.49Å; F827-V838 HydrophobicContact CD2-CG2 3.82Å
839	Y	95.1	Very high	78.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.3	179.6	-64.4	-90.8	0	0	0	110.3	S14 L15 L755 E808 L810 I825 V826 V828 R837	S14-Y839 CarbonylContact O-C 3.51Å; S14-Y839 VanDerWaalsContact O-CA 3.26Å; S14-Y839 WeakPolarHBondContact O-CA 3.49Å; L15-Y839 HydrophobicContact CB-CD1 4.13Å; L15-Y839 HydrophobicContact CB-CE1 3.96Å; L15-Y839 HydrophobicContact CD1-CD1 4.15Å; L15-Y839 HydrophobicContact CD1-CE1 3.76Å; L15-Y839 HydrophobicContact CD1-CE2 4.39Å; L15-Y839 HydrophobicContact CG-CE1 4.44Å; L755-Y839 HydrophobicContact CD2-CD2 4.41Å; E808-Y839 HydrophobicContact CG-CE1 3.7Å; E808-Y839 WeakPolarHBondContact OE1-CE1 3.49Å; E808-Y839 PolarHBondContact OE1-OH 2.87Å; L810-Y839 HydrophobicContact CD2-CE2 4.27Å; L810-Y839 WeakPolarHBondContact CD2-OH 3.35Å; I825-Y839 WeakPolarHBondContact CA-O 3.23Å; V826-Y839 PolarHBondContact N-O 2.98Å; V826-Y839 PolarHBondContact O-N 3.44Å; V828-Y839 HydrophobicContact CG2-CD2 4.24Å; V828-Y839 HydrophobicContact CG2-CE2 4.11Å; R837-Y839 HydrophobicContact CB-CD2 4.31Å; R837-Y839 HydrophobicContact CB-CE2 3.64Å; R837-Y839 VanDerWaalsContact CD-OH 3.31Å; R837-Y839 WeakPolarHBondContact CD-OH 3.26Å; R837-Y839 PolarHBondContact NH1-OH 2.79Å; R837-Y839 VanDerWaalsContact NH1-OH 3.09Å
840	L	92.9	Very high	75.3	Confident	28 Å²	28	75.2 Å²	75.2	15%	0.147	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.2	163.1	-77.2	164.9	0	0	0	109.5	S14 V16 Y52 S824 I825 E842	S14-L840 PolarHBondContact N-O 3.28Å; S14-L840 PolarHBondContact O-N 3.11Å; V16-L840 HydrophobicContact CG2-CB 4.12Å; V16-L840 HydrophobicContact CG2-CD1 3.51Å; V16-L840 HydrophobicContact CG2-CG 3.52Å; Y52-L840 HydrophobicContact CE2-CD1 4.42Å; S824-L840 CarbonylContact O-C 3.59Å; S824-L840 VanDerWaalsContact O-CA 3.27Å; S824-L840 WeakPolarHBondContact O-CA 3.34Å; I825-L840 HydrophobicContact CG2-CD2 3.39Å; I825-L840 HydrophobicContact CG2-CG 4.36Å; L840-E842 HydrophobicContact CB-CG 4.45Å
841	M	88.7	Confident	72.3	Confident	7 Å²	7	80.8 Å²	80.8	3%	0.034	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	98.5	174.7	-55	-51.8	-58.4	0	0	108.3	F11 Y13 Y697 M757 S824 V826	F11-M841 HydrophobicContact CB-CE 4.03Å; F11-M841 HydrophobicContact CD1-CB 4.21Å; Y13-M841 HydrophobicContact CD1-CE 3.58Å; Y13-M841 HydrophobicContact CD1-SD 3.19Å; Y13-M841 WeakPolarHBondContact CD1-SD 3.47Å; Y13-M841 HydrophobicContact CE1-CE 3.42Å; Y13-M841 VanDerWaalsContact CE1-CE 3.42Å; Y13-M841 HydrophobicContact CE1-SD 3.28Å; Y13-M841 WeakPolarHBondContact CE1-SD 3.4Å; Y13-M841 HydrophobicContact CE2-CE 4.49Å; Y13-M841 HydrophobicContact CG-CE 4.17Å; Y13-M841 HydrophobicContact CG-SD 4.17Å; Y697-M841 HydrophobicContact CD2-CG 4.47Å; Y697-M841 HydrophobicContact CE2-CB 4.26Å; Y697-M841 HydrophobicContact CE2-CG 3.69Å; M757-M841 HydrophobicContact CE-CE 2.96Å; S824-M841 WeakPolarHBondContact CB-O 3.12Å; S824-M841 PolarHBondContact O-N 3.11Å; V826-M841 HydrophobicContact CG2-CG 3.89Å; V826-M841 HydrophobicContact CG2-SD 3.81Å
842	E	80.6	Confident	69.8	Low	88 Å²	88	82.2 Å²	82.2	41%	0.411	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141	-177.3	-69.7	173.2	-160.2	0	0	109.7	F11 T12 S14 L840	F11-E842 CarbonylContact C-O 3.59Å; F11-E842 VanDerWaalsContact CA-O 3.24Å; F11-E842 WeakPolarHBondContact CA-O 3.28Å; T12-E842 PolarHBondContact N-O 3.13Å; T12-E842 PolarHBondContact O-N 3.37Å; T12-E842 VanDerWaalsContact O-N 3.09Å; T12-E842 PolarHBondContact OG1-O 3.36Å; S14-E842 VanDerWaalsContact CB-CD 3.47Å; S14-E842 WeakPolarHBondContact CB-OE1 3.05Å; S14-E842 PolarHBondContact OG-OE1 2.83Å; L840-E842 HydrophobicContact CB-CG 4.45Å
843	R	72.8	Confident	67.2	Low	185 Å²	185	85.1 Å²	85.1	70%	0.698	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-82.4	129.9	165.4	-64.6	-168.6	177.1	159.1	-1	107.5	D10 F11 E845	D10-R843 WeakPolarHBondContact O-CA 3.5Å; D10-R843 WeakPolarHBondContact O-CG 3.14Å; F11-R843 HydrophobicContact CD1-CG 3.59Å; F11-R843 HydrophobicContact CE1-CG 3.37Å; F11-R843 HydrophobicContact CZ-CG 4.13Å; R843-E845 PolarHBondContact O-N 2.71Å
844	P	64.5	Low	64.5	Low	70 Å²	70	89.3 Å²	89.3	46%	0.455	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-57.1	126.9	173.3	18.6	-22.8	0	0	0	109.1	D10	D10-P844 HydrophobicContact CB-CG 4.06Å; D10-P844 VanDerWaalsContact O-CD 3.22Å; D10-P844 WeakPolarHBondContact O-CD 3.17Å
845	E	53.7	Low	61.6	Low	179 Å²	179	93 Å²	93	84%	0.836	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-63.5	135.4	170.3	-69.4	-170.4	160	0	0	108.1	R843 D847	R843-E845 PolarHBondContact O-N 2.71Å; E845-D847 PolarHBondContact O-N 3.5Å
846	P	51.4	Low	58.8	Low	117 Å²	117	96.6 Å²	96.6	76%	0.76	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-62.8	123.5	175.2	25	-31.1	0	0	0	108.8	E848	P846-E848 PolarHBondContact O-N 2.82Å
847	D	41.2	Very low	55.9	Low	136 Å²	136	104.8 Å²	104.8	73%	0.727	57%	0.568	S	S	*	*			trans	-53.6	115.8	173.9	-86.2	-35.6	0	0	0	109.6	E845 T849	E845-D847 PolarHBondContact O-N 3.5Å; D847-T849 PolarHBondContact O-N 3.01Å
848	E	41	Very low	52.8	Low	189 Å²	189	112.5 Å²	112.5	88%	0.883	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	14.1	175.3	-70	-171.8	155.6	0	0	113.5	P846	P846-E848 PolarHBondContact O-N 2.82Å
849	T	38.8	Very low	49.8	Very low	121 Å²	121	117.3 Å²	117.3	74%	0.742	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	7.1	-175.9	57.2	0	0	0	0	114.7	D847	D847-T849 PolarHBondContact O-N 3.01Å
850	M	32.5	Very low	46.8	Very low	164 Å²	164	125.6 Å²	125.6	81%	0.808	68%	0.677	S	S	*	*			trans	-116.3	60.7	168.4	-61.3	-147.9	-163.8	0	0	112	V852	M850-V852 PolarHBondContact O-N 2.78Å; M850-V852 VanDerWaalsContact O-N 3.16Å
851	V	32.1	Very low	44.1	Very low	121 Å²	121	132.6 Å²	132.6	73%	0.733	71%	0.714	S	S	*	*			trans	-72.4	98.5	155	-179.1	0	0	0	0	106.1	D853	V851-D853 PolarHBondContact O-N 3.24Å
852	V	37.4	Very low	41.3	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.685	76%	0.755	S	S	*	*			trans	-69.3	116.6	162.8	176.9	0	0	0	0	106.1	M850 D854	M850-V852 PolarHBondContact O-N 2.78Å; M850-V852 VanDerWaalsContact O-N 3.16Å; V852-D854 PolarHBondContact O-N 3.39Å
853	D	31.1	Very low	39.1	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	77%	0.77	S	S	*	*			trans	-58.3	82.6	171.2	-84.5	-32.3	0	0	0	110.4	V851 S855	V851-D853 PolarHBondContact O-N 3.24Å; D853-S855 PolarHBondContact O-N 2.94Å; D853-S855 VanDerWaalsContact O-N 3.16Å
854	D	33	Very low	37.2	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	77%	0.77	S	S	*	*			trans	-83.7	53.6	159.8	-85.9	-19	0	0	0	109.2	V852	V852-D854 PolarHBondContact O-N 3.39Å
855	S	29.6	Very low	35.8	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	78%	0.783	S	S	*	*			trans	-115.6	61.6	169.6	68.9	0	0	0	0	109.8	D853	D853-S855 PolarHBondContact O-N 2.94Å; D853-S855 VanDerWaalsContact O-N 3.16Å
856	A	33.5	Very low	34.9	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	78%	0.783	S	S	*	*			trans	-148.8	56.6	170.4	0	0	0	0	0	110.6
857	N	32.9	Very low	34.1	Very low	173 Å²	173	137.7 Å²	137.7	93%	0.925	78%	0.779	S	S	*	*			trans	-161.6	60.1	158.5	-93.4	-27.8	0	0	0	110.3
858	E	29.9	Very low	33.8	Very low	198 Å²	198	139.3 Å²	139.3	93%	0.925	79%	0.788	S	S	*	*			trans	-98.3	110	156.4	-81	-166.7	156.2	0	0	108.8
859	S	32.3	Very low	33.5	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	79%	0.785	S	S	*	*			trans	-157.4	129.3	139.5	57.1	0	0	0	0	110.7
860	H	32.7	Very low	33.3	Very low	173 Å²	173	138.9 Å²	138.9	80%	0.801	79%	0.792	S	S	*	*	S	Bend	trans	76.8	92.6	166.9	-60.3	-67.7	0	0	0	118.5
861	L	35.6	Very low	33.4	Very low	176 Å²	176	134.2 Å²	134.2	92%	0.921	79%	0.787	S	S	*	*				-176.3	108.5	102.5	-92	150.5	0	0	0	110.8
862	Q	30.3	Very low	33.5	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	80%	0.796	S	S	*	*			trans	-73.9	143.8	167.8	-77	174.4	-30.4	0	0	111.1
863	A	35.2	Very low	33.3	Very low	87 Å²	87	133.9 Å²	133.9	72%	0.719	80%	0.799	S	S	*	*				180	99.7	121.8	0	0	0	0	0	112.5
864	T	31.8	Very low	33.4	Very low	115 Å²	115	134.6 Å²	134.6	71%	0.706	80%	0.803	S	S	*	*				38.2	120.9	125.1	60	0	0	0	0	120.2
865	N	36.2	Very low	33.3	Very low	135 Å²	135	133.4 Å²	133.4	72%	0.722	80%	0.801	S	S	*	*				165.3	121.8	82.6	-106.9	-18.1	0	0	0	113.8
866	N	34.5	Very low	33.5	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	80%	0.804	S	S	*	*			trans	38.1	131.5	131.4	-65.3	-15.4	0	0	0	122.9
867	G	33.6	Very low	33.4	Very low	66 Å²	66	135.4 Å²	135.4	68%	0.68	81%	0.814	S	S	*	*				141.1	104	112.5	0	0	0	0	0	119.2
868	N	36.3	Very low	33.2	Very low	170 Å²	170	133.4 Å²	133.4	91%	0.909	81%	0.808	S	S	*	*			trans	99.7	115	133.9	-65.5	-9	0	0	0	122.6
869	N	33	Very low	33.2	Very low	154 Å²	154	128.3 Å²	128.3	82%	0.824	80%	0.8	S	S	*	*			trans	-58.4	160.6	160.7	-74	-36.7	0	0	0	114.9
870	V	35	Very low	32.9	Very low	147 Å²	147	131.8 Å²	131.8	89%	0.891	81%	0.805	S	S	*	*				147.8	130.6	112.4	173.1	0	0	0	0	111.1
871	G	35.1	Very low	32.7	Very low	67 Å²	67	130.4 Å²	130.4	69%	0.691	81%	0.809	S	S	*	*			trans	128.5	77.9	135.9	0	0	0	0	0	120.3
872	V	33.3	Very low	32.4	Very low	155 Å²	155	127.2 Å²	127.2	94%	0.939	80%	0.801	S	S	*	*				23.2	133.8	130	-170.7	0	0	0	0	120.4
873	G	34.2	Very low	32.2	Very low	71 Å²	71	129.3 Å²	129.3	73%	0.732	80%	0.801	S	S	*	*			trans	162.8	73.3	153	0	0	0	0	0	119.2
874	D	32.8	Very low	32	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	80%	0.804	S	S	*	*			trans	47.2	131.7	138.1	-92.1	-17.1	0	0	0	126.6
875	T	31.7	Very low	31.8	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	81%	0.811	S	S	*	*			trans	81.8	119.5	138.6	61.3	0	0	0	0	121.9
876	G	32.3	Very low	31.4	Very low	71 Å²	71	130 Å²	130	73%	0.732	81%	0.805	S	S	*	*			trans	162.2	84.8	156.6	0	0	0	0	0	118.4
877	V	33.4	Very low	31	Very low	152 Å²	152	132.6 Å²	132.6	92%	0.921	81%	0.808	S	S	*	*			trans	80.8	112.2	148	-165.7	0	0	0	0	119.6
878	V	27.4	Very low	30.9	Very low	131 Å²	131	137.6 Å²	137.6	79%	0.794	83%	0.825	S	S	*	*			trans	-106.1	138.1	172.8	170.1	0	0	0	0	109.9
879	A	31	Very low	30.7	Very low	92 Å²	92	136 Å²	136	76%	0.76	82%	0.821	S	S	*	*			trans	-169.2	88.3	142.7	0	0	0	0	0	108.6
880	E	25.7	Very low	30.6	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	82%	0.821	S	S	*	*				83.3	88.1	104.8	-80	-171.4	162.2	0	0	115.2
881	T	28.6	Very low	30.3	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	82%	0.817	S	S	*	*			trans	-131.9	93.4	145.1	49.4	0	0	0	0	107.9	R883	T881-R883 PolarHBondContact O-N 3.14Å
882	S	29	Very low	30	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	83%	0.825	S	S	*	*			trans	-72.7	101.6	178.5	30.1	0	0	0	0	110.8
883	R	26.4	Very low	29.8	Very low	238 Å²	238	137.3 Å²	137.3	90%	0.898	82%	0.817	S	S	*	*			trans	-63.9	122	145.7	-81.2	177.3	169.7	174.8	-4.2	107.4	T881	T881-R883 PolarHBondContact O-N 3.14Å
884	V	30.9	Very low	29.5	Very low	129 Å²	129	141.7 Å²	141.7	78%	0.782	82%	0.823	S	S	*	*			trans	-120.4	93.8	161.4	-177.7	0	0	0	0	107.4
885	I	26.4	Very low	29.3	Very low	166 Å²	166	141.3 Å²	141.3	85%	0.851	83%	0.825	S	S	*	*			trans	-95.7	130	150.1	-66	170.5	0	0	0	104.3
886	G	27.9	Very low	29.1	Very low	57 Å²	57	141.8 Å²	141.8	59%	0.588	83%	0.826	S	S	*	*			trans	146.6	106.7	164.8	0	0	0	0	0	115.2
887	K	26.1	Very low	28.8	Very low	210 Å²	210	147.8 Å²	147.8	91%	0.913	83%	0.833	S	S	*	*			trans	64.1	91.8	152.9	-61.4	-175.3	173.3	-172.8	0	116.7
888	V	33.2	Very low	28.4	Very low	171 Å²	171	147.4 Å²	147.4	100%	1.036	83%	0.825	S	S	*	*				-163.6	0	97.1	167.6	0	0	0	0	107.8

Retrieved 888 of 888 residues in 247.1 ms (Link to these results)

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