A0A077YXQ3_TRITR Loading...

Epidermal growth factor receptor pathway epiderm al growth factor receptor kinase

AlphaFold DB , UniProt , Accession A0A077YXQ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 941 aa.

						>A0A077YXQ3_TRITR|A0A077YXQ3
MPASTVNVATSSHGKMDKSYALEECPSYLVEHLATFGVGPQFGLQWPSDGIRKLKQMERSSAIWAQRMILRLLPTALVVEDENGEAVENFPLDLVSDPTAHLSTDPRDLYNNLLVFVVNEGKNKKSSAPTEMHIFQCVQVSASQLADDIKQYLRGRFKAVPPGRRSGGSGVGGMTTSQVVDGYGHGYSRSYQPRITAENGRMNSSAYRDIDQKSTFSESSVEFFERDVNTLNRCFDDIERFVARIQSAAIAQRELEALQQQRRAMMSKSSKSRQQMQRHPGDGILLLRAQLPTELEFFDILQKFKLCFNLLAKLKNHIHEPNAPELLHFLFTPLAIIVDACQWAFGRSIAPQVVSPLITRAAKALLLNCLTSKESEIWASLGESWRMTADEWRGPPPGSYTPTFADGYVPYYDGGASTLRRSQNLVDMQLSGELNRVSLERERLDLAKERLQEEERRIMHEKRALEQERRRLLEEKRQFYEEQEQRSVISERIARPPPPPPNGVYSSATLSRSRPELYKDMPRDADLRRGVVPDENAQQMSFFEELRFKGAKAAQVTYERPGQNAKELSVRKGEFLEASQACNILFVYAFGNEGFVPHTILTVVDGTPQQQQQQQHRSRSVDEPLFVRAPTGTSTFGPSAGSYPSHAATAELDSTCKANNSPRTPFSPGIAASTNGDTPDAVRQRRGKLESSSSSPDPYASTCSTIRRRLVGLSAPIPCDPPVPPPAPPLPPKLDAQSESAPVFLRKYLMFAMFHKGMLNEELHQTLKQSQIGGILKQKPSSRCPMVKICELSRISTKQDVADWLQAKGFSGRSFIDEQAFFSPHVNMNFVLTCRTVNIMRDYDGEKVLTMTKSQLEEACGRAEGGRLYSQLLLRKSATNFVPKSDDELNNILAARKSATDEACRRPVPESTSFSSDQISPLSDDTGSLVPSDDESFTIAL
					

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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	38.4	Very low	37.4	Very low	237 Å²	237	133.2 Å²	133.2	100%	1.167	84%	0.835	S	S	*	*				0	123.8	0	-63.6	-48.5	-174.7	0	0	108.2
2	P	47.4	Very low	37.1	Very low	129 Å²	129	132.4 Å²	132.4	84%	0.838	84%	0.837	S	S	*	*			trans	-111.5	148.6	-165.6	38.7	-31.8	0	0	0	116
3	A	39.9	Very low	36.9	Very low	89 Å²	89	136.7 Å²	136.7	74%	0.736	84%	0.84	S	S	*	*			trans	-160.3	136	155.2	0	0	0	0	0	106.2
4	S	39.6	Very low	36.5	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	83%	0.834	S	S	*	*			cis	74.1	111.7	48	-54.8	0	0	0	0	112.4
5	T	40	Very low	36.2	Very low	126 Å²	126	136.3 Å²	136.3	77%	0.773	84%	0.835	S	S	*	*			cis	-132.8	-125.1	-7.1	-39.7	0	0	0	0	110.6
6	V	39.3	Very low	36	Very low	136 Å²	136	138.7 Å²	138.7	82%	0.824	84%	0.836	S	S	*	*			cis	-146.4	162.2	4.2	-177.9	0	0	0	0	108
7	N	32.1	Very low	35.9	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	84%	0.836	S	S	*	*			trans	-85.7	151.7	-173.5	-48.6	-39.6	0	0	0	115.9
8	V	36.9	Very low	36.1	Very low	149 Å²	149	140.6 Å²	140.6	90%	0.903	83%	0.827	S	S	*	*			trans	-142.7	143.8	135.3	-178.2	0	0	0	0	108.5
9	A	31.5	Very low	36.3	Very low	91 Å²	91	139.9 Å²	139.9	75%	0.752	83%	0.831	S	S	*	*			trans	-92.6	143.8	-171.1	0	0	0	0	0	114.9
10	T	33.6	Very low	37	Very low	142 Å²	142	139.1 Å²	139.1	87%	0.871	81%	0.813	S	S	*	*			trans	-149.8	169.4	159.7	54	0	0	0	0	110.8
11	S	32.5	Very low	37.7	Very low	105 Å²	105	135 Å²	135	73%	0.734	80%	0.795	S	S	*	*			trans	81	117.7	172.5	-163	0	0	0	0	118.9
12	S	33.8	Very low	38.5	Very low	124 Å²	124	128.7 Å²	128.7	87%	0.867	77%	0.766	S	S	*	*			trans	-143.9	67.4	150.2	50.5	0	0	0	0	110	G14	S12-G14 PolarHBondContact O-N 3.06Å; S12-G14 VanDerWaalsContact O-N 3.08Å
13	H	34.5	Very low	38.9	Very low	188 Å²	188	131.1 Å²	131.1	87%	0.87	77%	0.766	S	S	*	*			trans	-73.2	95.4	175.5	-106.9	-51.5	0	0	0	111.5
14	G	32.1	Very low	40.1	Very low	73 Å²	73	133 Å²	133	75%	0.753	76%	0.76	S	S	*	*			trans	-81.2	125.4	171.3	0	0	0	0	0	112.4	S12	S12-G14 PolarHBondContact O-N 3.06Å; S12-G14 VanDerWaalsContact O-N 3.08Å
15	K	31.6	Very low	42.1	Very low	195 Å²	195	128 Å²	128	85%	0.848	73%	0.725	S	S	*	*			trans	-80.1	135.1	168.7	-66.7	-178.5	176.7	-177.2	0	110.4
16	M	33.3	Very low	44.4	Very low	174 Å²	174	122.1 Å²	122.1	86%	0.857	69%	0.688	S	S	*	*			trans	-139.8	61.5	166.8	-81.6	-153.4	177.7	0	0	112	K18	M16-K18 VanDerWaalsContact C-N 3.34Å; M16-K18 PolarHBondContact O-N 2.94Å; M16-K18 VanDerWaalsContact O-N 3.08Å
17	D	33.3	Very low	46.8	Very low	157 Å²	157	116.2 Å²	116.2	84%	0.84	65%	0.653	S	S	*	*			trans	-75.3	90.3	159.9	-65.2	-58.8	0	0	0	108.8
18	K	40.2	Very low	49.7	Very low	154 Å²	154	109.4 Å²	109.4	67%	0.67	62%	0.617	S	S	*	*			trans	-116	105.5	164.2	-80.9	-170.6	174.7	-176.9	0	108.7	M16 Y20	M16-K18 VanDerWaalsContact C-N 3.34Å; M16-K18 PolarHBondContact O-N 2.94Å; M16-K18 VanDerWaalsContact O-N 3.08Å; K18-Y20 HydrophobicContact CB-CE2 4.45Å; K18-Y20 VanDerWaalsContact O-CD2 3.28Å; K18-Y20 WeakPolarHBondContact O-CD2 3.44Å; K18-Y20 PolarHBondContact O-N 3.09Å
19	S	39	Very low	52.3	Low	128 Å²	128	104.5 Å²	104.5	90%	0.895	59%	0.585	S	S	*	*			trans	-67	94.9	171.2	-51.4	0	0	0	0	109.5
20	Y	52.1	Low	55.2	Low	124 Å²	124	100.2 Å²	100.2	49%	0.486	55%	0.55	S	S	.	.			trans	-63.5	135.2	165.2	-64.2	-86.3	0	0	0	108.5	K18 L22 P74	K18-Y20 HydrophobicContact CB-CE2 4.45Å; K18-Y20 VanDerWaalsContact O-CD2 3.28Å; K18-Y20 WeakPolarHBondContact O-CD2 3.44Å; K18-Y20 PolarHBondContact O-N 3.09Å; Y20-L22 PolarHBondContact O-N 3.31Å; Y20-P74 HydrophobicContact CD1-CG 4.17Å; Y20-P74 HydrophobicContact CD2-CB 4.33Å; Y20-P74 HydrophobicContact CD2-CG 3.89Å; Y20-P74 HydrophobicContact CE1-CG 4.29Å; Y20-P74 HydrophobicContact CE2-CB 4.06Å; Y20-P74 HydrophobicContact CE2-CG 4.02Å; Y20-P74 HydrophobicContact CG-CG 3.97Å
21	A	50.7	Low	58	Low	53 Å²	53	94.9 Å²	94.9	44%	0.438	52%	0.515	S	S	.	.			trans	-65.6	126.3	175.2	0	0	0	0	0	109	E23 E24	A21-E23 PolarHBondContact O-N 2.86Å; A21-E23 VanDerWaalsContact O-N 3.1Å; A21-E24 HydrophobicContact CB-CG 4.44Å; A21-E24 PolarHBondContact O-N 3.31Å
22	L	56.2	Low	60.9	Low	105 Å²	105	90.2 Å²	90.2	55%	0.55	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-59.2	-25.3	-178	-75.2	165.8	0	0	0	112.5	Y20 E24 C25 L73	Y20-L22 PolarHBondContact O-N 3.31Å; L22-E24 VanDerWaalsContact C-N 3.29Å; L22-E24 PolarHBondContact O-N 3.25Å; L22-C25 PolarHBondContact O-N 3.25Å; L22-L73 HydrophobicContact CD2-CD2 3.96Å
23	E	54.5	Low	63.7	Low	180 Å²	180	84.9 Å²	84.9	84%	0.841	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67	-23.7	177.1	-57.2	-175.7	153.5	0	0	113.7	A21 C25	A21-E23 PolarHBondContact O-N 2.86Å; A21-E23 VanDerWaalsContact O-N 3.1Å; E23-C25 VanDerWaalsContact C-N 3.31Å
24	E	65.6	Low	66.4	Low	129 Å²	129	76.3 Å²	76.3	60%	0.603	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-81.5	-8.1	175.6	-65.3	-170.3	151.6	0	0	113	A21 L22 P162	A21-E24 HydrophobicContact CB-CG 4.44Å; A21-E24 PolarHBondContact O-N 3.31Å; L22-E24 VanDerWaalsContact C-N 3.29Å; L22-E24 PolarHBondContact O-N 3.25Å; E24-P162 VanDerWaalsContact O-CB 3.28Å; E24-P162 WeakPolarHBondContact O-CB 3.43Å
25	C	81.2	Confident	69.1	Low	9 Å²	9	75 Å²	75	6%	0.061	38%	0.383	C	S	.	.	S	Bend	trans	-89.2	127	-175	-64.3	0	0	0	0	111.4	L22 E23 R71 L72 L73	L22-C25 PolarHBondContact O-N 3.25Å; E23-C25 VanDerWaalsContact C-N 3.31Å; C25-R71 HydrophobicContact CB-CG 4.17Å; C25-L72 WeakPolarHBondContact CB-O 3.35Å; C25-L73 HydrophobicContact CB-CD2 3.85Å; C25-L73 VanDerWaalsContact SG-CD2 3.54Å
26	P	88.5	Confident	71.9	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.006	35%	0.345	C	S	.	.			trans	-70	142.1	-178.3	31.2	-35	0	0	0	110.7	Y28 L72 Y152 V160	P26-Y28 HydrophobicContact CB-CE2 3.86Å; P26-Y28 HydrophobicContact CG-CE2 4.3Å; P26-L72 HydrophobicContact CG-CB 4.16Å; P26-L72 HydrophobicContact CG-CD1 4.44Å; P26-L72 PolarHBondContact O-N 2.89Å; P26-Y152 WeakPolarHBondContact CD-OH 3.37Å; P26-Y152 HydrophobicContact CG-CE2 4.38Å; P26-V160 HydrophobicContact CB-CG1 4.22Å; P26-V160 HydrophobicContact CG-CG1 3.86Å
27	S	89.5	Confident	74.6	Confident	13 Å²	13	59.1 Å²	59.1	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.2	-176.2	48.9	0	0	0	0	112.8	L70 G163 R164	S27-L70 CarbonylContact C-O 3.59Å; S27-L70 VanDerWaalsContact CA-O 3.31Å; S27-L70 WeakPolarHBondContact CA-O 3.5Å; S27-G163 PolarHBondContact N-O 3.22Å; S27-R164 WeakPolarHBondContact OG-CG 3.27Å
28	Y	92.3	Very high	77.3	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.5	-165.1	-61.4	-81.2	0	0	0	110.9	P26 V30 I69 L70 L72 V140 L145 D148 R165	P26-Y28 HydrophobicContact CB-CE2 3.86Å; P26-Y28 HydrophobicContact CG-CE2 4.3Å; Y28-V30 PolarHBondContact O-N 3.22Å; Y28-I69 CarbonylContact O-C 3.59Å; Y28-I69 WeakPolarHBondContact O-CA 3.33Å; Y28-L70 PolarHBondContact N-O 3.34Å; Y28-L70 PolarHBondContact O-N 3.14Å; Y28-L72 HydrophobicContact CE2-CD1 4.18Å; Y28-L72 HydrophobicContact CE2-CG 4.41Å; Y28-V140 HydrophobicContact CD1-CB 4.21Å; Y28-V140 HydrophobicContact CD1-CG1 4.22Å; Y28-V140 HydrophobicContact CD1-CG2 3.88Å; Y28-V140 HydrophobicContact CE1-CG1 4.1Å; Y28-V140 HydrophobicContact CE1-CG2 4.17Å; Y28-L145 HydrophobicContact CD1-CD1 4.07Å; Y28-L145 HydrophobicContact CD1-CD2 4.44Å; Y28-L145 HydrophobicContact CD2-CD1 3.37Å; Y28-L145 HydrophobicContact CE1-CD1 4.21Å; Y28-L145 HydrophobicContact CE2-CD1 3.51Å; Y28-L145 HydrophobicContact CG-CD1 3.68Å; Y28-L145 HydrophobicContact CG-CD2 4.08Å; Y28-L145 HydrophobicContact CG-CG 4.49Å; Y28-D148 PolarHBondContact OH-OD2 2.78Å; Y28-R165 HydrophobicContact CE1-CB 4.05Å; Y28-R165 HydrophobicContact CE1-CG 3.89Å; Y28-R165 PolarHBondContact OH-NE 3.02Å; Y28-R165 VanDerWaalsContact OH-NE 3.09Å
29	L	92	Very high	79.4	Confident	46 Å²	46	45.7 Å²	45.7	24%	0.241	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119	170.6	-178.2	64.8	0	0	0	109.3	V138	L29-V138 HydrophobicContact CD2-CB 4.23Å; L29-V138 HydrophobicContact CD2-CG1 4.15Å; L29-V138 HydrophobicContact CG-CB 4.19Å; L29-V138 HydrophobicContact CG-CG2 4.21Å; L29-V138 PolarHBondContact O-N 3Å
30	V	93.3	Very high	81.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.4	-177.6	-61.6	0	0	0	0	110.9	Y28 M68 L70 F135 Q136 L145	Y28-V30 PolarHBondContact O-N 3.22Å; V30-M68 HydrophobicContact CG2-CB 4.18Å; V30-M68 PolarHBondContact N-O 2.85Å; V30-M68 PolarHBondContact O-N 3.38Å; V30-L70 HydrophobicContact CG1-CB 4.28Å; V30-L70 HydrophobicContact CG2-CB 3.99Å; V30-F135 HydrophobicContact CB-CB 4.28Å; V30-F135 HydrophobicContact CB-CD1 4.18Å; V30-F135 HydrophobicContact CG2-CD1 3.66Å; V30-F135 HydrophobicContact CG2-CE1 4.18Å; V30-F135 HydrophobicContact CG2-CG 4.45Å; V30-Q136 CarbonylContact C-O 3.56Å; V30-Q136 WeakPolarHBondContact CA-O 3.48Å; V30-L145 HydrophobicContact CG1-CD2 4.1Å
31	E	92.4	Very high	83	Confident	30 Å²	30	45.2 Å²	45.2	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.7	176.5	-79.9	174.3	-173	0	0	108.9	L33 A65 Q66 R67 F135 Q136 V138	E31-L33 PolarHBondContact O-N 2.88Å; E31-A65 HydrophobicContact CB-CB 4.19Å; E31-Q66 CarbonylContact C-O 3.25Å; E31-Q66 WeakPolarHBondContact CA-O 3.45Å; E31-R67 HydrophobicContact CG-CG 3.6Å; E31-R67 IonicContact OE1-CZ 2.7Å; E31-R67 IonicContact OE1-NE 2.78Å; E31-R67 PolarHBondContact OE1-NE 3.13Å; E31-R67 IonicContact OE1-NH2 2.97Å; E31-R67 PolarHBondContact OE1-NH2 3.16Å; E31-F135 CarbonylContact O-C 3.5Å; E31-F135 VanDerWaalsContact O-CA 3.31Å; E31-F135 WeakPolarHBondContact O-CA 3.14Å; E31-Q136 HydrophobicContact CB-CB 4.36Å; E31-Q136 PolarHBondContact N-O 3.39Å; E31-Q136 PolarHBondContact O-N 2.87Å; E31-V138 HydrophobicContact CG-CG2 3.99Å
32	H	93	Very high	84.6	Confident	7 Å²	7	47.4 Å²	47.4	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.5	176.7	174.8	-95.8	0	0	0	110.1	A34 T35 A65 Q66 M68 F135 I284	H32-A34 VanDerWaalsContact CE1-C 3.46Å; H32-A34 PolarHBondContact NE2-O 2.77Å; H32-A34 VanDerWaalsContact NE2-O 3.14Å; H32-T35 PolarHBondContact NE2-OG1 2.75Å; H32-A65 WeakPolarHBondContact O-CA 3.16Å; H32-Q66 HydrophobicContact CB-CB 4.31Å; H32-Q66 PolarHBondContact N-O 2.67Å; H32-Q66 PolarHBondContact O-N 2.78Å; H32-M68 HydrophobicContact CB-CE 3.91Å; H32-M68 HydrophobicContact CB-SD 3.72Å; H32-F135 HydrophobicContact CB-CD1 3.76Å; H32-F135 HydrophobicContact CB-CE1 3.68Å; H32-F135 AromaticContact CD2-CE1 3.88Å; H32-F135 AromaticContact CD2-CZ 3.85Å; H32-I284 VanDerWaalsContact CE1-CG2 3.49Å; H32-I284 WeakPolarHBondContact CE1-CG2 3.41Å
33	L	92	Very high	85.9	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-40.4	-177.5	-57.5	-173.5	0	0	0	112.5	E31 L54 I63 A65 Y110 L113 I134 Q136	E31-L33 PolarHBondContact O-N 2.88Å; L33-L54 HydrophobicContact CB-CD1 4.28Å; L33-L54 HydrophobicContact CB-CD2 4.47Å; L33-L54 HydrophobicContact CD1-CD2 3.89Å; L33-I63 HydrophobicContact CB-CG2 4.29Å; L33-A65 HydrophobicContact CD2-CB 3.82Å; L33-Y110 HydrophobicContact CD1-CD1 3.94Å; L33-Y110 HydrophobicContact CD1-CE1 4.14Å; L33-L113 HydrophobicContact CD1-CD1 4.15Å; L33-L113 HydrophobicContact CD1-CD2 3.69Å; L33-I134 PolarHBondContact N-O 3.42Å; L33-Q136 HydrophobicContact CD1-CB 4.19Å; L33-Q136 HydrophobicContact CD2-CB 4.36Å; L33-Q136 HydrophobicContact CG-CB 4.34Å
34	A	91.2	Very high	87.6	Confident	9 Å²	9	37 Å²	37	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	149.2	-177.9	0	0	0	0	0	112.3	H32 F36 L54 I134	H32-A34 VanDerWaalsContact CE1-C 3.46Å; H32-A34 PolarHBondContact NE2-O 2.77Å; H32-A34 VanDerWaalsContact NE2-O 3.14Å; A34-F36 HydrophobicContact CB-CE1 3.93Å; A34-F36 HydrophobicContact CB-CE2 4.11Å; A34-F36 HydrophobicContact CB-CZ 3.69Å; A34-L54 HydrophobicContact CB-CD1 3.96Å; A34-I134 PolarHBondContact N-O 3.24Å; A34-I134 PolarHBondContact O-N 3.38Å
35	T	89.7	Confident	88.5	Confident	46 Å²	46	36.1 Å²	36.1	28%	0.282	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.7	158.3	-61.6	0	0	0	0	107.6	H32 E131 M132 H133	H32-T35 PolarHBondContact NE2-OG1 2.75Å; T35-E131 HydrophobicContact CG2-CB 3.99Å; T35-E131 HydrophobicContact CG2-CG 4.15Å; T35-E131 WeakPolarHBondContact CG2-OE2 3.44Å; T35-M132 CarbonylContact C-O 3.53Å; T35-M132 WeakPolarHBondContact CA-O 3.41Å; T35-H133 WeakPolarHBondContact CG2-ND1 3.28Å; T35-H133 PolarHBondContact OG1-ND1 3.34Å; T35-H133 VanDerWaalsContact OG1-ND1 3.09Å
36	F	90.7	Very high	89	Confident	15 Å²	15	43.2 Å²	43.2	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.4	174.7	-58.8	-46.4	0	0	0	111.5	A34 L44 K53 M57 E131 M132 I134	A34-F36 HydrophobicContact CB-CE1 3.93Å; A34-F36 HydrophobicContact CB-CE2 4.11Å; A34-F36 HydrophobicContact CB-CZ 3.69Å; F36-L44 HydrophobicContact CB-CD1 3.49Å; F36-L44 VanDerWaalsContact CB-CD1 3.49Å; F36-L44 HydrophobicContact CD2-CD1 4.06Å; F36-L44 HydrophobicContact CG-CD1 3.9Å; F36-K53 HydrophobicContact CD1-CD 4.16Å; F36-K53 HydrophobicContact CD2-CD 4.11Å; F36-K53 HydrophobicContact CE1-CD 4Å; F36-K53 HydrophobicContact CE1-CG 4.47Å; F36-K53 HydrophobicContact CE2-CB 4.14Å; F36-K53 HydrophobicContact CE2-CD 3.94Å; F36-K53 HydrophobicContact CE2-CG 4.17Å; F36-K53 HydrophobicContact CG-CD 4.22Å; F36-K53 HydrophobicContact CZ-CB 4.4Å; F36-K53 HydrophobicContact CZ-CD 3.88Å; F36-K53 HydrophobicContact CZ-CG 4Å; F36-M57 HydrophobicContact CE1-CE 4.37Å; F36-M57 HydrophobicContact CE1-SD 3.51Å; F36-M57 VanDerWaalsContact CE1-SD 3.51Å; F36-M57 HydrophobicContact CZ-SD 3.58Å; F36-M57 VanDerWaalsContact CZ-SD 3.58Å; F36-E131 CarbonylContact O-C 3.58Å; F36-E131 WeakPolarHBondContact O-CA 3.48Å; F36-M132 PolarHBondContact N-O 3.03Å; F36-M132 PolarHBondContact O-N 3.41Å; F36-I134 HydrophobicContact CD2-CD1 4.21Å; F36-I134 HydrophobicContact CE2-CD1 3.82Å
37	G	88.9	Confident	89.1	Confident	19 Å²	19	43.7 Å²	43.7	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.6	164.5	0	0	0	0	0	111.5	F42 L44	G37-F42 WeakPolarHBondContact O-CB 3.39Å; G37-F42 VanDerWaalsContact O-CD2 3.25Å; G37-F42 WeakPolarHBondContact O-CD2 3.29Å; G37-F42 WeakPolarHBondContact O-CG 3.43Å; G37-L44 WeakPolarHBondContact O-CD1 2.93Å
38	V	90.8	Very high	89.2	Confident	19 Å²	19	46.6 Å²	46.6	12%	0.115	26%	0.26	C	S	.	.			trans	-109.3	141.1	-179.5	-171.2	0	0	0	0	109.5	L44 V117 T130 M132	V38-L44 WeakPolarHBondContact CG1-O 3.26Å; V38-V117 HydrophobicContact CG2-CG1 4.36Å; V38-T130 HydrophobicContact CB-CG2 3.72Å; V38-T130 HydrophobicContact CG1-CG2 4.28Å; V38-T130 HydrophobicContact CG2-CG2 4.07Å; V38-T130 PolarHBondContact N-O 2.97Å; V38-M132 HydrophobicContact CG2-CB 3.51Å; V38-M132 HydrophobicContact CG2-CE 4.17Å
39	G	84.7	Confident	89.3	Confident	11 Å²	11	47.4 Å²	47.4	11%	0.113	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	141.4	166.9	178.2	0	0	0	0	0	112.8	Q41 F42 G43 L44	G39-Q41 PolarHBondContact O-N 2.88Å; G39-Q41 VanDerWaalsContact O-N 3.16Å; G39-F42 PolarHBondContact O-N 3.37Å; G39-G43 PolarHBondContact O-N 2.97Å; G39-L44 PolarHBondContact N-O 2.74Å
40	P	84	Confident	89.3	Confident	109 Å²	109	45.2 Å²	45.2	71%	0.708	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-54	-36.7	-178.1	-26.8	35.5	0	0	0	113.6	F42 G43	P40-F42 PolarHBondContact O-N 3.06Å; P40-G43 PolarHBondContact O-N 3.09Å
41	Q	82.4	Confident	89.3	Confident	133 Å²	133	45.7 Å²	45.7	62%	0.621	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-65.4	-19	178.7	71.8	-77.4	6.9	0	0	114.5	G39	G39-Q41 PolarHBondContact O-N 2.88Å; G39-Q41 VanDerWaalsContact O-N 3.16Å
42	F	83.7	Confident	89.2	Confident	99 Å²	99	51.1 Å²	51.1	43%	0.434	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-105.3	-5.5	179.6	-59.2	-60.1	0	0	0	113.4	G37 G39 P40 L44	G37-F42 WeakPolarHBondContact O-CB 3.39Å; G37-F42 VanDerWaalsContact O-CD2 3.25Å; G37-F42 WeakPolarHBondContact O-CD2 3.29Å; G37-F42 WeakPolarHBondContact O-CG 3.43Å; G39-F42 PolarHBondContact O-N 3.37Å; P40-F42 PolarHBondContact O-N 3.06Å; F42-L44 HydrophobicContact CB-CB 4.44Å; F42-L44 PolarHBondContact O-N 3.34Å
43	G	84.2	Confident	89.1	Confident	59 Å²	59	54.1 Å²	54.1	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	17.2	-173.6	0	0	0	0	0	114.2	G39 P40	G39-G43 PolarHBondContact O-N 2.97Å; P40-G43 PolarHBondContact O-N 3.09Å
44	L	88.4	Confident	89.1	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-122.7	123.9	-176.4	-69.7	175.1	0	0	0	109.4	F36 G37 V38 G39 F42 D49 K53	F36-L44 HydrophobicContact CB-CD1 3.49Å; F36-L44 VanDerWaalsContact CB-CD1 3.49Å; F36-L44 HydrophobicContact CD2-CD1 4.06Å; F36-L44 HydrophobicContact CG-CD1 3.9Å; G37-L44 WeakPolarHBondContact O-CD1 2.93Å; V38-L44 WeakPolarHBondContact CG1-O 3.26Å; G39-L44 PolarHBondContact N-O 2.74Å; F42-L44 HydrophobicContact CB-CB 4.44Å; F42-L44 PolarHBondContact O-N 3.34Å; L44-D49 HydrophobicContact CD2-CB 3.62Å; L44-K53 HydrophobicContact CD1-CD 3.79Å; L44-K53 HydrophobicContact CD2-CB 4.28Å; L44-K53 HydrophobicContact CD2-CD 4.06Å; L44-K53 HydrophobicContact CG-CD 4.3Å
45	Q	86.4	Confident	89	Confident	112 Å²	112	55.1 Å²	55.1	52%	0.523	29%	0.289	S	S	.	.			trans	-132.9	-37.7	174.3	-71.3	175.7	100.5	0	0	111.8	D49	Q45-D49 PolarHBondContact N-OD2 3.28Å
46	W	90.2	Very high	88.9	Confident	157 Å²	157	58.9 Å²	58.9	60%	0.595	30%	0.304	S	S	*	.	S	Bend	trans	-111.3	150.4	-174.8	-53.8	102.9	0	0	0	112.2	S48 D49 G50 M132	W46-S48 PolarHBondContact O-N 3.49Å; W46-S48 VanDerWaalsContact O-N 3.08Å; W46-D49 PolarHBondContact N-OD2 3.03Å; W46-D49 WeakPolarHBondContact O-CA 3.34Å; W46-D49 VanDerWaalsContact O-CB 3.27Å; W46-D49 WeakPolarHBondContact O-CB 3.49Å; W46-D49 PolarHBondContact O-N 2.75Å; W46-G50 PolarHBondContact O-N 2.86Å; W46-M132 WeakPolarHBondContact O-CE 3.28Å
47	P	91.8	Very high	88.6	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.078	31%	0.314	C	S	.	.	H	α-helix	trans	-51	-33.1	175.1	-32	38	0	0	0	114.6	D49 G50 I51 D97 T99 V115	P47-D49 VanDerWaalsContact C-N 3.29Å; P47-D49 PolarHBondContact O-N 3.32Å; P47-G50 PolarHBondContact O-N 3.37Å; P47-I51 WeakPolarHBondContact O-CG1 3.43Å; P47-I51 PolarHBondContact O-N 3.11Å; P47-D97 HydrophobicContact CG-CB 4.19Å; P47-T99 HydrophobicContact CB-CG2 4.1Å; P47-V115 HydrophobicContact CB-CB 4.14Å; P47-V115 HydrophobicContact CB-CG1 3.83Å; P47-V115 HydrophobicContact CG-CG1 4.4Å
48	S	91.8	Very high	88.1	Confident	74 Å²	74	63.6 Å²	63.6	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-28.2	174	50.6	0	0	0	0	113.8	W46 R52	W46-S48 PolarHBondContact O-N 3.49Å; W46-S48 VanDerWaalsContact O-N 3.08Å; S48-R52 VanDerWaalsContact O-CB 3.28Å; S48-R52 WeakPolarHBondContact O-CB 3.47Å; S48-R52 PolarHBondContact O-N 2.9Å
49	D	92.8	Very high	87.6	Confident	20 Å²	20	72.3 Å²	72.3	11%	0.107	35%	0.352	C	S	.	.	H	α-helix	trans	-72.7	-39.5	172.6	-52.3	-39.6	0	0	0	111	L44 Q45 W46 P47 R52 K53	L44-D49 HydrophobicContact CD2-CB 3.62Å; Q45-D49 PolarHBondContact N-OD2 3.28Å; W46-D49 PolarHBondContact N-OD2 3.03Å; W46-D49 WeakPolarHBondContact O-CA 3.34Å; W46-D49 VanDerWaalsContact O-CB 3.27Å; W46-D49 WeakPolarHBondContact O-CB 3.49Å; W46-D49 PolarHBondContact O-N 2.75Å; P47-D49 VanDerWaalsContact C-N 3.29Å; P47-D49 PolarHBondContact O-N 3.32Å; D49-R52 PolarHBondContact O-N 2.91Å; D49-R52 IonicContact OD1-CZ 3.24Å; D49-R52 IonicContact OD1-NH1 3.62Å; D49-R52 PolarHBondContact OD1-NH1 2.99Å; D49-R52 IonicContact OD1-NH2 2.75Å; D49-R52 PolarHBondContact OD1-NH2 3.43Å; D49-K53 WeakPolarHBondContact O-CB 3.49Å; D49-K53 PolarHBondContact O-N 3.41Å
50	G	92.5	Very high	87	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-49	173.4	0	0	0	0	0	112.4	W46 P47 R52 K53 L54	W46-G50 PolarHBondContact O-N 2.86Å; P47-G50 PolarHBondContact O-N 3.37Å; G50-R52 VanDerWaalsContact C-N 3.33Å; G50-R52 PolarHBondContact O-N 3.48Å; G50-K53 PolarHBondContact O-N 2.96Å; G50-L54 WeakPolarHBondContact O-CB 3.28Å; G50-L54 PolarHBondContact O-N 2.94Å
51	I	92.7	Very high	86.3	Confident	11 Å²	11	73.4 Å²	73.4	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-41.8	174.9	-62.5	-62	0	0	0	111.4	P47 L54 K55 H101 L113 V115 I134	P47-I51 WeakPolarHBondContact O-CG1 3.43Å; P47-I51 PolarHBondContact O-N 3.11Å; I51-L54 PolarHBondContact O-N 2.95Å; I51-K55 HydrophobicContact CG2-CD 4.27Å; I51-K55 WeakPolarHBondContact O-CG 3.42Å; I51-K55 PolarHBondContact O-N 3.34Å; I51-H101 HydrophobicContact CD1-CB 3.94Å; I51-H101 HydrophobicContact CG1-CB 4.04Å; I51-L113 HydrophobicContact CD1-CB 4.32Å; I51-L113 HydrophobicContact CD1-CD1 3.74Å; I51-V115 HydrophobicContact CD1-CG2 3.69Å; I51-V115 HydrophobicContact CG1-CG2 4.12Å; I51-I134 HydrophobicContact CD1-CG2 4.22Å
52	R	91.3	Very high	85.3	Confident	145 Å²	145	71.2 Å²	71.2	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-40.9	177.3	-173.8	171.1	68.2	-104	3.3	111.9	S48 D49 G50 Q56	S48-R52 VanDerWaalsContact O-CB 3.28Å; S48-R52 WeakPolarHBondContact O-CB 3.47Å; S48-R52 PolarHBondContact O-N 2.9Å; D49-R52 PolarHBondContact O-N 2.91Å; D49-R52 IonicContact OD1-CZ 3.24Å; D49-R52 IonicContact OD1-NH1 3.62Å; D49-R52 PolarHBondContact OD1-NH1 2.99Å; D49-R52 IonicContact OD1-NH2 2.75Å; D49-R52 PolarHBondContact OD1-NH2 3.43Å; G50-R52 VanDerWaalsContact C-N 3.33Å; G50-R52 PolarHBondContact O-N 3.48Å; R52-Q56 PolarHBondContact O-N 3.46Å
53	K	91.3	Very high	85	Confident	69 Å²	69	68.3 Å²	68.3	30%	0.3	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-39.3	174.8	-173.8	-179.9	175.9	-174.8	0	112.1	F36 L44 D49 G50 Q56 M57	F36-K53 HydrophobicContact CD1-CD 4.16Å; F36-K53 HydrophobicContact CD2-CD 4.11Å; F36-K53 HydrophobicContact CE1-CD 4Å; F36-K53 HydrophobicContact CE1-CG 4.47Å; F36-K53 HydrophobicContact CE2-CB 4.14Å; F36-K53 HydrophobicContact CE2-CD 3.94Å; F36-K53 HydrophobicContact CE2-CG 4.17Å; F36-K53 HydrophobicContact CG-CD 4.22Å; F36-K53 HydrophobicContact CZ-CB 4.4Å; F36-K53 HydrophobicContact CZ-CD 3.88Å; F36-K53 HydrophobicContact CZ-CG 4Å; L44-K53 HydrophobicContact CD1-CD 3.79Å; L44-K53 HydrophobicContact CD2-CB 4.28Å; L44-K53 HydrophobicContact CD2-CD 4.06Å; L44-K53 HydrophobicContact CG-CD 4.3Å; D49-K53 WeakPolarHBondContact O-CB 3.49Å; D49-K53 PolarHBondContact O-N 3.41Å; G50-K53 PolarHBondContact O-N 2.96Å; K53-Q56 WeakPolarHBondContact O-CB 3.25Å; K53-Q56 PolarHBondContact O-N 3.11Å; K53-Q56 VanDerWaalsContact O-N 3.16Å; K53-M57 HydrophobicContact CG-SD 4.38Å; K53-M57 WeakPolarHBondContact O-CG 3.38Å; K53-M57 PolarHBondContact O-N 3.27Å
54	L	91.1	Very high	84.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-49.3	174.2	-170.5	72.9	0	0	0	111	L33 A34 G50 I51 Q56 M57 E58 I63 Y110 L113 I134	L33-L54 HydrophobicContact CB-CD1 4.28Å; L33-L54 HydrophobicContact CB-CD2 4.47Å; L33-L54 HydrophobicContact CD1-CD2 3.89Å; A34-L54 HydrophobicContact CB-CD1 3.96Å; G50-L54 WeakPolarHBondContact O-CB 3.28Å; G50-L54 PolarHBondContact O-N 2.94Å; I51-L54 PolarHBondContact O-N 2.95Å; L54-Q56 PolarHBondContact O-N 3.32Å; L54-M57 PolarHBondContact O-N 2.91Å; L54-E58 PolarHBondContact O-N 3.01Å; L54-E58 VanDerWaalsContact O-N 3.08Å; L54-I63 HydrophobicContact CD1-CD1 3.58Å; L54-I63 HydrophobicContact CD1-CG1 4.14Å; L54-I63 HydrophobicContact CD1-CG2 4.26Å; L54-I63 HydrophobicContact CG-CD1 3.92Å; L54-I63 WeakPolarHBondContact O-CD1 3.39Å; L54-Y110 HydrophobicContact CD2-CD1 3.82Å; L54-Y110 HydrophobicContact CD2-CE1 4.17Å; L54-Y110 HydrophobicContact CD2-CG 4.24Å; L54-Y110 HydrophobicContact CG-CD1 4.46Å; L54-Y110 HydrophobicContact CG-CE1 4.42Å; L54-L113 HydrophobicContact CD2-CD1 3.87Å; L54-I134 HydrophobicContact CB-CD1 4.42Å; L54-I134 HydrophobicContact CD2-CG2 4.07Å
55	K	89.1	Confident	84.7	Confident	41 Å²	41	68.9 Å²	68.9	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-66.6	-16.3	175.2	-68.9	-177	178.2	-178.4	0	113.9	I51 R59 H101 D108 Y110	I51-K55 HydrophobicContact CG2-CD 4.27Å; I51-K55 WeakPolarHBondContact O-CG 3.42Å; I51-K55 PolarHBondContact O-N 3.34Å; K55-R59 PolarHBondContact O-NH1 3.39Å; K55-H101 PolarHBondContact NZ-NE2 3.16Å; K55-H101 VanDerWaalsContact NZ-NE2 3.12Å; K55-D108 VanDerWaalsContact CE-OD1 3.25Å; K55-D108 WeakPolarHBondContact CE-OD1 3.43Å; K55-D108 IonicContact NZ-OD1 2.77Å; K55-D108 PolarHBondContact NZ-OD1 3.22Å; K55-D108 IonicContact NZ-OD2 3.15Å; K55-D108 PolarHBondContact NZ-OD2 2.99Å; K55-Y110 HydrophobicContact CG-CD2 3.83Å
56	Q	87.6	Confident	84.7	Confident	126 Å²	126	64.7 Å²	64.7	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-81.4	-45.5	167.4	-177.8	178.5	-7.5	0	0	110.9	R52 K53 L54 E58 R59	R52-Q56 PolarHBondContact O-N 3.46Å; K53-Q56 WeakPolarHBondContact O-CB 3.25Å; K53-Q56 PolarHBondContact O-N 3.11Å; K53-Q56 VanDerWaalsContact O-N 3.16Å; L54-Q56 PolarHBondContact O-N 3.32Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 2.67Å; Q56-R59 PolarHBondContact O-N 2.8Å; Q56-R59 VanDerWaalsContact O-N 3.07Å
57	M	83.8	Confident	84.7	Confident	57 Å²	57	62.9 Å²	62.9	28%	0.281	32%	0.319	S	S	.	.	H	α-helix	trans	-59.8	-38.2	-178.9	-80.6	178.1	60	0	0	112.9	F36 K53 L54 R59 S60 S61 I63	F36-M57 HydrophobicContact CE1-CE 4.37Å; F36-M57 HydrophobicContact CE1-SD 3.51Å; F36-M57 VanDerWaalsContact CE1-SD 3.51Å; F36-M57 HydrophobicContact CZ-SD 3.58Å; F36-M57 VanDerWaalsContact CZ-SD 3.58Å; K53-M57 HydrophobicContact CG-SD 4.38Å; K53-M57 WeakPolarHBondContact O-CG 3.38Å; K53-M57 PolarHBondContact O-N 3.27Å; L54-M57 PolarHBondContact O-N 2.91Å; M57-R59 PolarHBondContact O-N 3.47Å; M57-R59 VanDerWaalsContact O-N 3.09Å; M57-S60 PolarHBondContact O-N 3.13Å; M57-S60 PolarHBondContact O-OG 3.08Å; M57-S61 CarbonylContact O-C 3.58Å; M57-S61 PolarHBondContact O-N 3.09Å; M57-S61 PolarHBondContact O-OG 3.12Å; M57-I63 HydrophobicContact CB-CD1 4.11Å; M57-I63 HydrophobicContact CB-CG1 4.29Å
58	E	80.4	Confident	84.7	Confident	76 Å²	76	62.3 Å²	62.3	36%	0.355	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-36.9	173.3	177.7	177.3	-112.5	0	0	113	L54 Q56 S60 I63 Y110	L54-E58 PolarHBondContact O-N 3.01Å; L54-E58 VanDerWaalsContact O-N 3.08Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 2.67Å; E58-S60 VanDerWaalsContact C-N 3.33Å; E58-S60 PolarHBondContact O-N 3.36Å; E58-I63 HydrophobicContact CB-CD1 4.01Å; E58-Y110 HydrophobicContact CB-CE2 3.99Å; E58-Y110 VanDerWaalsContact CD-CE2 3.43Å; E58-Y110 HydrophobicContact CG-CE2 4.2Å; E58-Y110 WeakPolarHBondContact OE1-CE2 3.38Å; E58-Y110 PolarHBondContact OE1-OH 3.01Å; E58-Y110 VanDerWaalsContact OE1-OH 3.07Å
59	R	78.5	Confident	84.7	Confident	201 Å²	201	59.2 Å²	59.2	76%	0.758	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.3	-176.4	-55.6	-172	-177.4	102.8	-2.6	113.8	K55 Q56 M57	K55-R59 PolarHBondContact O-NH1 3.39Å; Q56-R59 PolarHBondContact O-N 2.8Å; Q56-R59 VanDerWaalsContact O-N 3.07Å; M57-R59 PolarHBondContact O-N 3.47Å; M57-R59 VanDerWaalsContact O-N 3.09Å
60	S	73.2	Confident	84.8	Confident	95 Å²	95	58.2 Å²	58.2	66%	0.664	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-12.2	-173.3	62.5	0	0	0	0	114.5	M57 E58	M57-S60 PolarHBondContact O-N 3.13Å; M57-S60 PolarHBondContact O-OG 3.08Å; E58-S60 VanDerWaalsContact C-N 3.33Å; E58-S60 PolarHBondContact O-N 3.36Å
61	S	68.1	Low	84.7	Confident	48 Å²	48	60.7 Å²	60.7	34%	0.336	30%	0.297	S	S	.	.	S	Bend	trans	-163.3	143.9	-169	47.9	0	0	0	0	110.9	M57 I63	M57-S61 CarbonylContact O-C 3.58Å; M57-S61 PolarHBondContact O-N 3.09Å; M57-S61 PolarHBondContact O-OG 3.12Å; S61-I63 PolarHBondContact O-N 2.97Å
62	A	63.2	Low	84.7	Confident	88 Å²	88	60.3 Å²	60.3	73%	0.727	30%	0.295	S	S	*	.			trans	-67.5	115.2	173	0	0	0	0	0	110.6
63	I	77.4	Confident	84.7	Confident	37 Å²	37	54.9 Å²	54.9	19%	0.19	28%	0.277	C	S	.	.			trans	-77.6	132.6	163.9	-68.3	160.6	0	0	0	107.1	L33 L54 M57 E58 S61 Y110	L33-I63 HydrophobicContact CB-CG2 4.29Å; L54-I63 HydrophobicContact CD1-CD1 3.58Å; L54-I63 HydrophobicContact CD1-CG1 4.14Å; L54-I63 HydrophobicContact CD1-CG2 4.26Å; L54-I63 HydrophobicContact CG-CD1 3.92Å; L54-I63 WeakPolarHBondContact O-CD1 3.39Å; M57-I63 HydrophobicContact CB-CD1 4.11Å; M57-I63 HydrophobicContact CB-CG1 4.29Å; E58-I63 HydrophobicContact CB-CD1 4.01Å; S61-I63 PolarHBondContact O-N 2.97Å; I63-Y110 HydrophobicContact CD1-CE1 4.41Å; I63-Y110 WeakPolarHBondContact CD1-OH 3.17Å
64	W	78.4	Confident	84.5	Confident	41 Å²	41	52.6 Å²	52.6	16%	0.155	27%	0.269	C	S	.	.			trans	-125.8	121.5	-178.1	-177.2	83.2	0	0	0	110.4	Q66 R244 R288	W64-Q66 HydrophobicContact CE3-CB 4.28Å; W64-Q66 HydrophobicContact CH2-CB 4.17Å; W64-Q66 HydrophobicContact CZ3-CB 3.62Å; W64-Q66 HydrophobicContact CZ3-CG 4.24Å; W64-Q66 VanDerWaalsContact CZ3-OE1 3.28Å; W64-R244 HydrophobicContact CH2-CG 4.31Å; W64-R244 HydrophobicContact CZ2-CB 4.17Å; W64-R244 HydrophobicContact CZ2-CG 3.63Å; W64-R288 HydrophobicContact CE3-CG 4.31Å; W64-R288 HydrophobicContact CZ3-CG 4.19Å; W64-R288 PolarHBondContact O-NH1 2.81Å
65	A	87.2	Confident	84.3	Confident	36 Å²	36	57.6 Å²	57.6	30%	0.298	30%	0.299	S	S	.	.			trans	-84.1	120.1	-174.7	0	0	0	0	0	111.9	E31 H32 L33	E31-A65 HydrophobicContact CB-CB 4.19Å; H32-A65 WeakPolarHBondContact O-CA 3.16Å; L33-A65 HydrophobicContact CD2-CB 3.82Å
66	Q	87.2	Confident	84.4	Confident	25 Å²	25	55.8 Å²	55.8	12%	0.117	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.3	176.1	175.2	60.3	75.7	0	0	110.2	E31 H32 W64 M68 L287	E31-Q66 CarbonylContact C-O 3.25Å; E31-Q66 WeakPolarHBondContact CA-O 3.45Å; H32-Q66 HydrophobicContact CB-CB 4.31Å; H32-Q66 PolarHBondContact N-O 2.67Å; H32-Q66 PolarHBondContact O-N 2.78Å; W64-Q66 HydrophobicContact CE3-CB 4.28Å; W64-Q66 HydrophobicContact CH2-CB 4.17Å; W64-Q66 HydrophobicContact CZ3-CB 3.62Å; W64-Q66 HydrophobicContact CZ3-CG 4.24Å; W64-Q66 VanDerWaalsContact CZ3-OE1 3.28Å; Q66-M68 HydrophobicContact CB-CE 4.09Å; Q66-M68 HydrophobicContact CG-CE 3.34Å; Q66-M68 HydrophobicContact CG-CG 4.09Å; Q66-M68 HydrophobicContact CG-SD 4.47Å; Q66-L287 HydrophobicContact CG-CD2 3.88Å
67	R	89.3	Confident	84.6	Confident	118 Å²	118	49.9 Å²	49.9	45%	0.445	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.2	172.8	-78.7	-176.5	172.7	173.7	1.7	111.7	E31 E82	E31-R67 HydrophobicContact CG-CG 3.6Å; E31-R67 IonicContact OE1-CZ 2.7Å; E31-R67 IonicContact OE1-NE 2.78Å; E31-R67 PolarHBondContact OE1-NE 3.13Å; E31-R67 IonicContact OE1-NH2 2.97Å; E31-R67 PolarHBondContact OE1-NH2 3.16Å; R67-E82 HydrophobicContact CB-CG 4.24Å; R67-E82 WeakPolarHBondContact CB-OE1 3.49Å; R67-E82 VanDerWaalsContact CD-OE1 3.28Å; R67-E82 WeakPolarHBondContact CD-OE1 3.49Å
68	M	91.6	Very high	85	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162	-176.5	-63.3	-179.5	174.5	0	0	110.7	V30 H32 Q66 V79 E80 F135 I284 L287	V30-M68 HydrophobicContact CG2-CB 4.18Å; V30-M68 PolarHBondContact N-O 2.85Å; V30-M68 PolarHBondContact O-N 3.38Å; H32-M68 HydrophobicContact CB-CE 3.91Å; H32-M68 HydrophobicContact CB-SD 3.72Å; Q66-M68 HydrophobicContact CB-CE 4.09Å; Q66-M68 HydrophobicContact CG-CE 3.34Å; Q66-M68 HydrophobicContact CG-CG 4.09Å; Q66-M68 HydrophobicContact CG-SD 4.47Å; M68-V79 HydrophobicContact CB-CG1 4.11Å; M68-V79 HydrophobicContact CE-CG1 4.35Å; M68-V79 HydrophobicContact CG-CG1 4.06Å; M68-V79 HydrophobicContact SD-CG1 3.29Å; M68-V79 WeakPolarHBondContact SD-CG1 3.37Å; M68-E80 WeakPolarHBondContact CA-O 3.42Å; M68-F135 HydrophobicContact SD-CE1 3.89Å; M68-I284 HydrophobicContact CE-CB 4.25Å; M68-I284 HydrophobicContact CE-CG1 4Å; M68-I284 HydrophobicContact CE-CG2 3.86Å; M68-I284 HydrophobicContact SD-CG1 4.48Å; M68-L287 HydrophobicContact CE-CD2 3.94Å; M68-L287 HydrophobicContact CG-CD2 4.45Å
69	I	92.6	Very high	85.6	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.046	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.1	168.7	-62.5	168.1	0	0	0	108.7	Y28 E80	Y28-I69 CarbonylContact O-C 3.59Å; Y28-I69 WeakPolarHBondContact O-CA 3.33Å; I69-E80 HydrophobicContact CB-CB 4.21Å; I69-E80 PolarHBondContact N-O 2.94Å; I69-E80 PolarHBondContact O-N 3.21Å
70	L	93.6	Very high	86.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.6	172.2	-150.2	69.8	0	0	0	109.1	S27 Y28 V30 L77 V79 L114 F135 L145	S27-L70 CarbonylContact C-O 3.59Å; S27-L70 VanDerWaalsContact CA-O 3.31Å; S27-L70 WeakPolarHBondContact CA-O 3.5Å; Y28-L70 PolarHBondContact N-O 3.34Å; Y28-L70 PolarHBondContact O-N 3.14Å; V30-L70 HydrophobicContact CG1-CB 4.28Å; V30-L70 HydrophobicContact CG2-CB 3.99Å; L70-L77 HydrophobicContact CD1-CD2 3.73Å; L70-L77 HydrophobicContact CD1-CG 4.44Å; L70-L77 HydrophobicContact CD2-CD1 4.48Å; L70-L77 HydrophobicContact CG-CD2 4.24Å; L70-L77 HydrophobicContact CG-CG 4.44Å; L70-V79 HydrophobicContact CD1-CG2 3.75Å; L70-L114 HydrophobicContact CD2-CD2 3.77Å; L70-F135 HydrophobicContact CD1-CZ 4.41Å; L70-L145 HydrophobicContact CD2-CD1 4.47Å; L70-L145 HydrophobicContact CD2-CD2 4.06Å
71	R	91.8	Very high	86.8	Confident	52 Å²	52	30.9 Å²	30.9	20%	0.196	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.4	178.9	-173.9	177.4	-67.4	167.5	-1.4	110.6	C25 L73 V78 E80	C25-R71 HydrophobicContact CB-CG 4.17Å; R71-L73 HydrophobicContact CG-CD2 4.05Å; R71-V78 PolarHBondContact N-O 3.49Å; R71-V78 PolarHBondContact O-N 3.12Å; R71-E80 WeakPolarHBondContact CD-OE1 3.19Å; R71-E80 IonicContact CZ-OE1 2.73Å; R71-E80 IonicContact CZ-OE2 3.53Å; R71-E80 IonicContact NE-OE1 2.7Å; R71-E80 PolarHBondContact NE-OE1 2.86Å; R71-E80 IonicContact NE-OE2 2.7Å; R71-E80 PolarHBondContact NE-OE2 3.46Å; R71-E80 IonicContact NH1-OE1 3.2Å; R71-E80 PolarHBondContact NH1-OE1 2.86Å; R71-E80 IonicContact NH1-OE2 3.13Å; R71-E80 PolarHBondContact NH1-OE2 2.98Å; R71-E80 IonicContact NH2-OE1 3.15Å; R71-E80 IonicContact NH2-OE2 2.75Å; R71-E80 PolarHBondContact NH2-OE2 2.8Å
72	L	92	Very high	87.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	107.4	179.8	-53.3	-177.6	0	0	0	110.3	C25 P26 Y28 L77 L145 D148 I149 Y152	C25-L72 WeakPolarHBondContact CB-O 3.35Å; P26-L72 HydrophobicContact CG-CB 4.16Å; P26-L72 HydrophobicContact CG-CD1 4.44Å; P26-L72 PolarHBondContact O-N 2.89Å; Y28-L72 HydrophobicContact CE2-CD1 4.18Å; Y28-L72 HydrophobicContact CE2-CG 4.41Å; L72-L77 HydrophobicContact CD2-CB 4.45Å; L72-L77 HydrophobicContact CD2-CD1 3.87Å; L72-L77 HydrophobicContact CD2-CG 3.92Å; L72-L145 HydrophobicContact CD1-CD1 4.38Å; L72-D148 HydrophobicContact CD1-CB 4.12Å; L72-I149 HydrophobicContact CD1-CG1 3.98Å; L72-I149 HydrophobicContact CD2-CD1 4.47Å; L72-I149 HydrophobicContact CD2-CG1 3.77Å; L72-Y152 VanDerWaalsContact C-CE1 3.44Å; L72-Y152 HydrophobicContact CB-CD1 3.79Å; L72-Y152 HydrophobicContact CB-CD2 4.42Å; L72-Y152 HydrophobicContact CB-CE1 3.57Å; L72-Y152 HydrophobicContact CB-CE2 4.24Å; L72-Y152 HydrophobicContact CB-CG 4.23Å; L72-Y152 HydrophobicContact CD1-CD2 4.29Å; L72-Y152 HydrophobicContact CD1-CE2 4.48Å; L72-Y152 HydrophobicContact CD1-CG 4.5Å; L72-Y152 WeakPolarHBondContact O-CE1 3.4Å; L72-Y152 PolarHBondContact O-OH 3.42Å
73	L	90.5	Very high	88.2	Confident	32 Å²	32	37.3 Å²	37.3	17%	0.168	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152.4	172	-53.5	-175.8	0	0	0	110.2	L22 C25 R71 T75 A76 V78 Y152	L22-L73 HydrophobicContact CD2-CD2 3.96Å; C25-L73 HydrophobicContact CB-CD2 3.85Å; C25-L73 VanDerWaalsContact SG-CD2 3.54Å; R71-L73 HydrophobicContact CG-CD2 4.05Å; L73-T75 PolarHBondContact O-N 3.42Å; L73-A76 CarbonylContact C-O 3.54Å; L73-A76 WeakPolarHBondContact CA-O 3.41Å; L73-A76 WeakPolarHBondContact CB-O 3.27Å; L73-A76 PolarHBondContact N-O 3.42Å; L73-A76 PolarHBondContact O-N 3.29Å; L73-V78 HydrophobicContact CD1-CG2 3.61Å; L73-V78 HydrophobicContact CG-CG2 3.97Å; L73-Y152 WeakPolarHBondContact O-CD1 3.49Å
74	P	87.8	Confident	88.4	Confident	20 Å²	20	37 Å²	37	13%	0.13	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.5	179.8	-28.9	37.8	0	0	0	115.9	Y20 F157	Y20-P74 HydrophobicContact CD1-CG 4.17Å; Y20-P74 HydrophobicContact CD2-CB 4.33Å; Y20-P74 HydrophobicContact CD2-CG 3.89Å; Y20-P74 HydrophobicContact CE1-CG 4.29Å; Y20-P74 HydrophobicContact CE2-CB 4.06Å; Y20-P74 HydrophobicContact CE2-CG 4.02Å; Y20-P74 HydrophobicContact CG-CG 3.97Å; P74-F157 HydrophobicContact CB-CD1 4.12Å; P74-F157 HydrophobicContact CB-CD2 3.99Å; P74-F157 HydrophobicContact CB-CE1 4Å; P74-F157 HydrophobicContact CB-CE2 3.87Å; P74-F157 HydrophobicContact CB-CG 4.11Å; P74-F157 HydrophobicContact CB-CZ 3.86Å; P74-F157 HydrophobicContact CG-CD2 4.46Å; P74-F157 HydrophobicContact CG-CG 4.31Å; P74-F157 WeakPolarHBondContact O-CE1 3.46Å; P74-F157 WeakPolarHBondContact O-CZ 3.25Å
75	T	87.2	Confident	88.6	Confident	105 Å²	105	40.8 Å²	40.8	64%	0.644	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-15.2	-179.9	51.1	0	0	0	0	114.1	L73 L92	L73-T75 PolarHBondContact O-N 3.42Å; T75-L92 WeakPolarHBondContact O-CB 3.35Å; T75-L92 PolarHBondContact O-N 3.08Å
76	A	90.9	Very high	88.5	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	151.8	-171.2	0	0	0	0	0	113.2	L73 V78 N89 F90	L73-A76 CarbonylContact C-O 3.54Å; L73-A76 WeakPolarHBondContact CA-O 3.41Å; L73-A76 WeakPolarHBondContact CB-O 3.27Å; L73-A76 PolarHBondContact N-O 3.42Å; L73-A76 PolarHBondContact O-N 3.29Å; A76-V78 HydrophobicContact CB-CG2 4.29Å; A76-N89 WeakPolarHBondContact CB-OD1 3.38Å; A76-F90 CarbonylContact C-O 3.57Å; A76-F90 VanDerWaalsContact CA-O 3.26Å; A76-F90 WeakPolarHBondContact CA-O 3.43Å; A76-F90 WeakPolarHBondContact CB-O 3.19Å
77	L	92.7	Very high	88.5	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.4	165.9	-178.8	154.2	0	0	0	107.5	L70 L72 F90 V95 F116 I149	L70-L77 HydrophobicContact CD1-CD2 3.73Å; L70-L77 HydrophobicContact CD1-CG 4.44Å; L70-L77 HydrophobicContact CD2-CD1 4.48Å; L70-L77 HydrophobicContact CG-CD2 4.24Å; L70-L77 HydrophobicContact CG-CG 4.44Å; L72-L77 HydrophobicContact CD2-CB 4.45Å; L72-L77 HydrophobicContact CD2-CD1 3.87Å; L72-L77 HydrophobicContact CD2-CG 3.92Å; L77-F90 HydrophobicContact CD2-CD2 3.72Å; L77-F90 HydrophobicContact CD2-CE2 4.45Å; L77-F90 PolarHBondContact N-O 3.14Å; L77-F90 PolarHBondContact O-N 3.35Å; L77-V95 HydrophobicContact CB-CG2 4.46Å; L77-F116 HydrophobicContact CD1-CE1 4.26Å; L77-F116 HydrophobicContact CD1-CZ 4.32Å; L77-F116 HydrophobicContact CD2-CE1 4.12Å; L77-F116 HydrophobicContact CD2-CE2 4.17Å; L77-F116 HydrophobicContact CD2-CZ 3.58Å; L77-I149 HydrophobicContact CD1-CD1 3.82Å; L77-I149 HydrophobicContact CD1-CG1 4.06Å; L77-I149 HydrophobicContact CD1-CG2 4.4Å
78	V	91.8	Very high	88.4	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.6	-174.4	-175.8	0	0	0	0	109.7	R71 L73 A76 E80 A86 E88	R71-V78 PolarHBondContact N-O 3.49Å; R71-V78 PolarHBondContact O-N 3.12Å; L73-V78 HydrophobicContact CD1-CG2 3.61Å; L73-V78 HydrophobicContact CG-CG2 3.97Å; A76-V78 HydrophobicContact CB-CG2 4.29Å; V78-E80 HydrophobicContact CG1-CG 3.97Å; V78-A86 HydrophobicContact CG1-CB 4.05Å; V78-E88 WeakPolarHBondContact CA-O 3.43Å; V78-E88 WeakPolarHBondContact CG1-O 3.25Å
79	V	92.1	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.4	171.3	176.4	0	0	0	0	107.6	M68 L70 V87 E88 F90 F135 I284	M68-V79 HydrophobicContact CB-CG1 4.11Å; M68-V79 HydrophobicContact CE-CG1 4.35Å; M68-V79 HydrophobicContact CG-CG1 4.06Å; M68-V79 HydrophobicContact SD-CG1 3.29Å; M68-V79 WeakPolarHBondContact SD-CG1 3.37Å; L70-V79 HydrophobicContact CD1-CG2 3.75Å; V79-V87 HydrophobicContact CG1-CB 4.29Å; V79-V87 WeakPolarHBondContact O-CB 3.36Å; V79-V87 PolarHBondContact O-N 3.38Å; V79-E88 HydrophobicContact CB-CB 4.27Å; V79-E88 PolarHBondContact N-O 2.93Å; V79-E88 PolarHBondContact O-N 3.18Å; V79-E88 VanDerWaalsContact O-N 3.12Å; V79-F90 HydrophobicContact CG2-CD2 4.34Å; V79-F90 HydrophobicContact CG2-CE2 3.77Å; V79-F135 HydrophobicContact CG2-CZ 4.26Å; V79-I284 HydrophobicContact CG1-CG1 4.48Å
80	E	90.4	Very high	88.2	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.8	179	-62.7	168.9	176.1	0	0	110.1	M68 I69 R71 V78 E85	M68-E80 WeakPolarHBondContact CA-O 3.42Å; I69-E80 HydrophobicContact CB-CB 4.21Å; I69-E80 PolarHBondContact N-O 2.94Å; I69-E80 PolarHBondContact O-N 3.21Å; R71-E80 WeakPolarHBondContact CD-OE1 3.19Å; R71-E80 IonicContact CZ-OE1 2.73Å; R71-E80 IonicContact CZ-OE2 3.53Å; R71-E80 IonicContact NE-OE1 2.7Å; R71-E80 PolarHBondContact NE-OE1 2.86Å; R71-E80 IonicContact NE-OE2 2.7Å; R71-E80 PolarHBondContact NE-OE2 3.46Å; R71-E80 IonicContact NH1-OE1 3.2Å; R71-E80 PolarHBondContact NH1-OE1 2.86Å; R71-E80 IonicContact NH1-OE2 3.13Å; R71-E80 PolarHBondContact NH1-OE2 2.98Å; R71-E80 IonicContact NH2-OE1 3.15Å; R71-E80 IonicContact NH2-OE2 2.75Å; R71-E80 PolarHBondContact NH2-OE2 2.8Å; V78-E80 HydrophobicContact CG1-CG 3.97Å; E80-E85 VanDerWaalsContact CA-O 3.24Å; E80-E85 WeakPolarHBondContact CA-O 3.42Å
81	D	87.4	Confident	88	Confident	16 Å²	16	42.9 Å²	42.9	9%	0.086	24%	0.241	C	C	.	.			trans	-78.1	-176	172.6	76.1	-8.6	0	0	0	111.9	N83 G84 E85 V87 L287	D81-N83 PolarHBondContact O-N 2.75Å; D81-N83 WeakPolarHBondContact OD1-CA 3.49Å; D81-N83 VanDerWaalsContact OD1-CB 3.31Å; D81-N83 WeakPolarHBondContact OD1-CB 3.2Å; D81-N83 PolarHBondContact OD1-N 2.89Å; D81-N83 PolarHBondContact OD2-ND2 2.89Å; D81-G84 PolarHBondContact O-N 2.89Å; D81-G84 PolarHBondContact OD1-N 2.73Å; D81-E85 PolarHBondContact N-O 2.96Å; D81-E85 PolarHBondContact OD1-N 2.7Å; D81-V87 HydrophobicContact CB-CG2 3.75Å; D81-L287 HydrophobicContact CB-CD1 3.89Å; D81-L287 HydrophobicContact CB-CD2 4.28Å
82	E	81.9	Confident	87.9	Confident	132 Å²	132	41.3 Å²	41.3	62%	0.617	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.7	177.6	-61.3	-170.4	134.6	0	0	113.2	R67	R67-E82 HydrophobicContact CB-CG 4.24Å; R67-E82 WeakPolarHBondContact CB-OE1 3.49Å; R67-E82 VanDerWaalsContact CD-OE1 3.28Å; R67-E82 WeakPolarHBondContact CD-OE1 3.49Å
83	N	79	Confident	87.8	Confident	139 Å²	139	46.5 Å²	46.5	74%	0.743	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-18.2	174.4	-51.5	-72.4	0	0	0	112.6	D81	D81-N83 PolarHBondContact O-N 2.75Å; D81-N83 WeakPolarHBondContact OD1-CA 3.49Å; D81-N83 VanDerWaalsContact OD1-CB 3.31Å; D81-N83 WeakPolarHBondContact OD1-CB 3.2Å; D81-N83 PolarHBondContact OD1-N 2.89Å; D81-N83 PolarHBondContact OD2-ND2 2.89Å
84	G	80.3	Confident	87.8	Confident	32 Å²	32	46.3 Å²	46.3	33%	0.33	26%	0.263	S	S	.	.			trans	93.1	9.4	-174.5	0	0	0	0	0	114.7	D81	D81-G84 PolarHBondContact O-N 2.89Å; D81-G84 PolarHBondContact OD1-N 2.73Å
85	E	84	Confident	88	Confident	119 Å²	119	45.8 Å²	45.8	56%	0.556	26%	0.259	S	S	*	.			trans	-75.5	135.9	173.3	-77.1	-72.5	124.5	0	0	110.3	E80 D81 V87	E80-E85 VanDerWaalsContact CA-O 3.24Å; E80-E85 WeakPolarHBondContact CA-O 3.42Å; D81-E85 PolarHBondContact N-O 2.96Å; D81-E85 PolarHBondContact OD1-N 2.7Å; E85-V87 PolarHBondContact O-N 3.3Å; E85-V87 VanDerWaalsContact O-N 3.12Å
86	A	85.2	Confident	88.3	Confident	55 Å²	55	42.1 Å²	42.1	46%	0.455	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	106.4	-179.3	0	0	0	0	0	111.6	V78	V78-A86 HydrophobicContact CG1-CB 4.05Å
87	V	86.1	Confident	88.3	Confident	22 Å²	22	45.5 Å²	45.5	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-52.3	179.4	176.6	0	0	0	0	110	V79 D81 E85 G283 L287	V79-V87 HydrophobicContact CG1-CB 4.29Å; V79-V87 WeakPolarHBondContact O-CB 3.36Å; V79-V87 PolarHBondContact O-N 3.38Å; D81-V87 HydrophobicContact CB-CG2 3.75Å; E85-V87 PolarHBondContact O-N 3.3Å; E85-V87 VanDerWaalsContact O-N 3.12Å; V87-G283 VanDerWaalsContact CG1-O 3.26Å; V87-G283 WeakPolarHBondContact CG1-O 3.34Å; V87-L287 HydrophobicContact CG1-CB 4.02Å; V87-L287 HydrophobicContact CG1-CD2 4.46Å; V87-L287 HydrophobicContact CG2-CD1 4.16Å; V87-L287 HydrophobicContact CG2-CD2 4.11Å
88	E	87.8	Confident	88.4	Confident	12 Å²	12	46 Å²	46	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.7	173.9	-74.2	-155.3	-138.3	0	0	112.9	V78 V79 F90 G281 G283 I284	V78-E88 WeakPolarHBondContact CA-O 3.43Å; V78-E88 WeakPolarHBondContact CG1-O 3.25Å; V79-E88 HydrophobicContact CB-CB 4.27Å; V79-E88 PolarHBondContact N-O 2.93Å; V79-E88 PolarHBondContact O-N 3.18Å; V79-E88 VanDerWaalsContact O-N 3.12Å; E88-F90 HydrophobicContact CB-CE2 4.05Å; E88-F90 HydrophobicContact CB-CZ 3.99Å; E88-F90 VanDerWaalsContact OE2-CE1 3.26Å; E88-F90 WeakPolarHBondContact OE2-CE1 3.27Å; E88-F90 WeakPolarHBondContact OE2-CZ 3.37Å; E88-G281 VanDerWaalsContact OE1-C 3.28Å; E88-G281 VanDerWaalsContact OE1-CA 3.27Å; E88-G281 WeakPolarHBondContact OE1-CA 3.24Å; E88-G281 PolarHBondContact OE1-N 3.09Å; E88-G281 PolarHBondContact OE2-N 2.78Å; E88-G283 PolarHBondContact OE1-N 3.07Å; E88-G283 VanDerWaalsContact OE1-N 3.1Å; E88-I284 HydrophobicContact CB-CG1 4.48Å; E88-I284 HydrophobicContact CG-CG1 4.06Å; E88-I284 WeakPolarHBondContact OE1-CB 3.29Å; E88-I284 WeakPolarHBondContact OE1-CG1 3.34Å; E88-I284 PolarHBondContact OE1-N 3.09Å
89	N	88.9	Confident	88.6	Confident	92 Å²	92	48.3 Å²	48.3	49%	0.492	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	103.5	-175.8	-179	-33.7	0	0	0	107.2	A76 P91	A76-N89 WeakPolarHBondContact CB-OD1 3.38Å; N89-P91 WeakPolarHBondContact O-CD 3.16Å
90	F	90.8	Very high	88.7	Confident	1 Å²	1	50 Å²	50	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.6	-179	-58.4	-69.2	0	0	0	109.1	A76 L77 V79 E88 L92 V95 F116 V118 H133 P280 I284	A76-F90 CarbonylContact C-O 3.57Å; A76-F90 VanDerWaalsContact CA-O 3.26Å; A76-F90 WeakPolarHBondContact CA-O 3.43Å; A76-F90 WeakPolarHBondContact CB-O 3.19Å; L77-F90 HydrophobicContact CD2-CD2 3.72Å; L77-F90 HydrophobicContact CD2-CE2 4.45Å; L77-F90 PolarHBondContact N-O 3.14Å; L77-F90 PolarHBondContact O-N 3.35Å; V79-F90 HydrophobicContact CG2-CD2 4.34Å; V79-F90 HydrophobicContact CG2-CE2 3.77Å; E88-F90 HydrophobicContact CB-CE2 4.05Å; E88-F90 HydrophobicContact CB-CZ 3.99Å; E88-F90 VanDerWaalsContact OE2-CE1 3.26Å; E88-F90 WeakPolarHBondContact OE2-CE1 3.27Å; E88-F90 WeakPolarHBondContact OE2-CZ 3.37Å; F90-L92 PolarHBondContact O-N 3.35Å; F90-V95 HydrophobicContact CB-CG2 3.97Å; F90-F116 HydrophobicContact CD2-CE2 4.24Å; F90-F116 HydrophobicContact CD2-CZ 4.33Å; F90-F116 HydrophobicContact CE2-CE2 4.38Å; F90-F116 HydrophobicContact CE2-CZ 4.29Å; F90-V118 HydrophobicContact CB-CG2 4.31Å; F90-V118 HydrophobicContact CD1-CB 4.33Å; F90-V118 HydrophobicContact CD1-CG1 3.93Å; F90-V118 HydrophobicContact CD1-CG2 3.63Å; F90-V118 HydrophobicContact CE1-CG2 4.06Å; F90-V118 HydrophobicContact CG-CG2 3.99Å; F90-H133 AromaticContact CE1-CE1 3.89Å; F90-H133 AromaticContact CE1-NE2 3.67Å; F90-H133 AromaticContact CZ-CE1 3.75Å; F90-H133 AromaticContact CZ-NE2 3.77Å; F90-P280 HydrophobicContact CE1-CB 4.47Å; F90-I284 HydrophobicContact CE2-CD1 4.38Å; F90-I284 HydrophobicContact CZ-CD1 4.03Å
91	P	90.2	Very high	88.8	Confident	51 Å²	51	52 Å²	52	33%	0.331	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	131	175.3	-24.7	34.7	0	0	0	110.5	N89 D93 L94 V95	N89-P91 WeakPolarHBondContact O-CD 3.16Å; P91-D93 VanDerWaalsContact CB-OD1 3.3Å; P91-D93 WeakPolarHBondContact CB-OD1 3.44Å; P91-D93 PolarHBondContact O-N 2.89Å; P91-D93 VanDerWaalsContact O-N 3.1Å; P91-L94 HydrophobicContact CB-CD1 4.31Å; P91-L94 HydrophobicContact CB-CG 4.24Å; P91-L94 HydrophobicContact CG-CD1 4.13Å; P91-L94 PolarHBondContact O-N 3.47Å; P91-V95 PolarHBondContact O-N 3.32Å
92	L	89.5	Confident	89	Confident	18 Å²	18	55.4 Å²	55.4	9%	0.094	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.5	-169.6	-170.2	62.3	0	0	0	112.6	T75 F90 L94 Y152 L153 F157	T75-L92 WeakPolarHBondContact O-CB 3.35Å; T75-L92 PolarHBondContact O-N 3.08Å; F90-L92 PolarHBondContact O-N 3.35Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-Y152 HydrophobicContact CD2-CD1 4.45Å; L92-L153 HydrophobicContact CD1-CD2 3.8Å; L92-L153 HydrophobicContact CD1-CG 4.07Å; L92-L153 HydrophobicContact CG-CD2 4.01Å; L92-L153 WeakPolarHBondContact O-CD2 3.46Å; L92-F157 HydrophobicContact CD2-CE1 4.13Å
93	D	89.4	Confident	89.2	Confident	112 Å²	112	50.3 Å²	50.3	60%	0.599	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.7	173.4	72.8	-57.9	0	0	0	114.5	P91	P91-D93 VanDerWaalsContact CB-OD1 3.3Å; P91-D93 WeakPolarHBondContact CB-OD1 3.44Å; P91-D93 PolarHBondContact O-N 2.89Å; P91-D93 VanDerWaalsContact O-N 3.1Å
94	L	90.7	Very high	89.1	Confident	28 Å²	28	50.8 Å²	50.8	15%	0.147	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-20.1	172.7	-56.8	-176.3	0	0	0	112.8	P91 L92 V118 N119	P91-L94 HydrophobicContact CB-CD1 4.31Å; P91-L94 HydrophobicContact CB-CG 4.24Å; P91-L94 HydrophobicContact CG-CD1 4.13Å; P91-L94 PolarHBondContact O-N 3.47Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L94-V118 HydrophobicContact CB-CG1 4.29Å; L94-N119 PolarHBondContact O-N 3.09Å; L94-N119 PolarHBondContact O-ND2 3.07Å
95	V	92.7	Very high	89.1	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.5	179.5	179.6	0	0	0	0	110.9	L77 F90 P91 F116 V117 V118 I149 L153	L77-V95 HydrophobicContact CB-CG2 4.46Å; F90-V95 HydrophobicContact CB-CG2 3.97Å; P91-V95 PolarHBondContact O-N 3.32Å; V95-F116 HydrophobicContact CG1-CB 4.31Å; V95-F116 HydrophobicContact CG1-CD2 4.1Å; V95-F116 HydrophobicContact CG1-CG 4.41Å; V95-V117 CarbonylContact C-O 3.58Å; V95-V117 WeakPolarHBondContact CA-O 3.5Å; V95-V118 HydrophobicContact CG2-CG2 4.41Å; V95-I149 HydrophobicContact CG1-CG2 4.43Å; V95-L153 HydrophobicContact CB-CD2 4.43Å; V95-L153 WeakPolarHBondContact O-CD2 3.45Å
96	S	92.6	Very high	88.6	Confident	29 Å²	29	53.5 Å²	53.5	20%	0.203	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	170	174.9	70.1	0	0	0	0	112.6	P98 V117 N119	S96-P98 WeakPolarHBondContact O-CD 3.44Å; S96-V117 PolarHBondContact N-O 3.15Å; S96-V117 PolarHBondContact O-N 3.45Å; S96-N119 WeakPolarHBondContact CB-ND2 3.48Å; S96-N119 PolarHBondContact OG-ND2 3.29Å
97	D	91.1	Very high	88.1	Confident	75 Å²	75	56.9 Å²	56.9	40%	0.401	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.6	44.8	175.1	-52.1	-30.9	0	0	0	117.3	P47 T99	P47-D97 HydrophobicContact CG-CB 4.19Å; D97-T99 WeakPolarHBondContact O-CB 3.39Å; D97-T99 PolarHBondContact O-N 3.5Å; D97-T99 PolarHBondContact O-OG1 3.08Å
98	P	95	Very high	87.7	Confident	11 Å²	11	57.5 Å²	57.5	7%	0.071	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	107.5	173.4	28.5	-37.3	0	0	0	110.7	S96 V115 I149 K150 L153	S96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-V115 CarbonylContact C-O 3.4Å; P98-V115 WeakPolarHBondContact CA-O 3.49Å; P98-I149 HydrophobicContact CB-CB 4.08Å; P98-I149 HydrophobicContact CB-CG2 3.74Å; P98-I149 HydrophobicContact CG-CG2 4.01Å; P98-K150 HydrophobicContact CG-CD 4.48Å; P98-K150 HydrophobicContact CG-CG 3.61Å; P98-K150 WeakPolarHBondContact O-CE 3.49Å; P98-L153 HydrophobicContact CG-CD1 3.83Å
99	T	94.7	Very high	87.1	Confident	53 Å²	53	62.9 Å²	62.9	33%	0.325	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.3	-167.7	-59.7	0	0	0	0	109.5	P47 D97 V115	P47-T99 HydrophobicContact CB-CG2 4.1Å; D97-T99 WeakPolarHBondContact O-CB 3.39Å; D97-T99 PolarHBondContact O-N 3.5Å; D97-T99 PolarHBondContact O-OG1 3.08Å; T99-V115 PolarHBondContact N-O 3.09Å; T99-V115 PolarHBondContact O-N 3.24Å
100	A	95	Very high	86.8	Confident	34 Å²	34	59.7 Å²	59.7	28%	0.281	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.3	173.7	0	0	0	0	0	109.7	L113 A142 A146	A100-L113 CarbonylContact C-O 3.58Å; A100-L113 WeakPolarHBondContact CA-O 3.42Å; A100-A142 VanDerWaalsContact CB-C 3.47Å; A100-A142 HydrophobicContact CB-CB 4.01Å; A100-A142 WeakPolarHBondContact CB-O 3.22Å; A100-A146 HydrophobicContact CB-CB 4.23Å
101	H	93.3	Very high	86.6	Confident	52 Å²	52	62.1 Å²	62.1	24%	0.241	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.1	167.3	-175.4	68.8	0	0	0	109.3	I51 K55 Y110 N112 L113	I51-H101 HydrophobicContact CD1-CB 3.94Å; I51-H101 HydrophobicContact CG1-CB 4.04Å; K55-H101 PolarHBondContact NZ-NE2 3.16Å; K55-H101 VanDerWaalsContact NZ-NE2 3.12Å; H101-Y110 PolarHBondContact CD2-O 3.22Å; H101-N112 PolarHBondContact O-N 3.44Å; H101-L113 HydrophobicContact CB-CB 4.32Å; H101-L113 PolarHBondContact N-O 2.94Å; H101-L113 PolarHBondContact O-N 2.9Å
102	L	91	Very high	86.8	Confident	88 Å²	88	61.5 Å²	61.5	46%	0.461	34%	0.339	S	S	.	.			trans	-113	133.7	171.1	-57.9	-178.8	0	0	0	108	N111 N112	L102-N111 WeakPolarHBondContact CA-OD1 3.5Å; L102-N112 HydrophobicContact CD2-CB 4.48Å
103	S	85	Confident	87	Confident	26 Å²	26	60.7 Å²	60.7	18%	0.182	34%	0.335	C	S	.	.			trans	-104.3	144.7	177.5	-163.1	0	0	0	0	111.2	D108 N111	S103-D108 WeakPolarHBondContact CB-OD2 3.41Å; S103-D108 WeakPolarHBondContact OG-CB 3.45Å; S103-D108 PolarHBondContact OG-OD2 3.49Å; S103-N111 PolarHBondContact N-OD1 2.84Å; S103-N111 PolarHBondContact O-ND2 3.48Å
104	T	77.7	Confident	87.4	Confident	149 Å²	149	55.3 Å²	55.3	91%	0.914	31%	0.306	S	S	*	.	S	Bend	trans	-90.7	-10.8	175.4	50.4	0	0	0	0	113	P106	T104-P106 WeakPolarHBondContact O-CD 3.3Å
105	D	79.9	Confident	87.6	Confident	75 Å²	75	54 Å²	54	40%	0.401	30%	0.3	S	S	.	.			trans	-88.1	119.7	176.8	-177.8	2.2	0	0	0	110.6	R107 D108	D105-R107 PolarHBondContact O-N 3.38Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.38Å; D105-R107 WeakPolarHBondContact OD1-CG 3.41Å; D105-R107 PolarHBondContact OD1-N 3.04Å; D105-D108 HydrophobicContact CB-CB 4.19Å; D105-D108 WeakPolarHBondContact O-CB 3.44Å; D105-D108 PolarHBondContact O-N 2.92Å; D105-D108 VanDerWaalsContact O-N 3.15Å
106	P	74.6	Confident	87.8	Confident	133 Å²	133	53.7 Å²	53.7	86%	0.864	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.7	173.8	-22.5	34.6	0	0	0	114.6	T104	T104-P106 WeakPolarHBondContact O-CD 3.3Å
107	R	74.7	Confident	87.8	Confident	126 Å²	126	52.5 Å²	52.5	48%	0.475	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.1	177.8	-55.9	174.6	177.4	170.7	-0.2	113.2	D105 L109 E454 E461	D105-R107 PolarHBondContact O-N 3.38Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.38Å; D105-R107 WeakPolarHBondContact OD1-CG 3.41Å; D105-R107 PolarHBondContact OD1-N 3.04Å; R107-L109 PolarHBondContact O-N 3.39Å; R107-E454 IonicContact CZ-OE1 3.03Å; R107-E454 IonicContact NE-OE1 2.7Å; R107-E454 PolarHBondContact NE-OE1 3.14Å; R107-E454 VanDerWaalsContact NE-OE1 3.15Å; R107-E454 IonicContact NH2-OE1 3.3Å; R107-E454 PolarHBondContact NH2-OE1 3.39Å; R107-E461 IonicContact NH1-OE2 2.9Å
108	D	76.9	Confident	87.9	Confident	34 Å²	34	49.4 Å²	49.4	18%	0.182	27%	0.273	C	S	.	.			trans	-85.1	102.5	-175.6	-167.4	-6.5	0	0	0	111.8	K55 S103 D105 Y110	K55-D108 VanDerWaalsContact CE-OD1 3.25Å; K55-D108 WeakPolarHBondContact CE-OD1 3.43Å; K55-D108 IonicContact NZ-OD1 2.77Å; K55-D108 PolarHBondContact NZ-OD1 3.22Å; K55-D108 IonicContact NZ-OD2 3.15Å; K55-D108 PolarHBondContact NZ-OD2 2.99Å; S103-D108 WeakPolarHBondContact CB-OD2 3.41Å; S103-D108 WeakPolarHBondContact OG-CB 3.45Å; S103-D108 PolarHBondContact OG-OD2 3.49Å; D105-D108 HydrophobicContact CB-CB 4.19Å; D105-D108 WeakPolarHBondContact O-CB 3.44Å; D105-D108 PolarHBondContact O-N 2.92Å; D105-D108 VanDerWaalsContact O-N 3.15Å; D108-Y110 PolarHBondContact O-N 3.32Å; D108-Y110 PolarHBondContact OD1-N 3.27Å
109	L	76	Confident	87.7	Confident	125 Å²	125	51.9 Å²	51.9	65%	0.654	29%	0.285	S	S	*	.	S	Bend	trans	-60.3	-28.2	-179.3	-62	174.7	0	0	0	113	R107 N111 Q136	R107-L109 PolarHBondContact O-N 3.39Å; L109-N111 VanDerWaalsContact C-N 3.26Å; L109-N111 PolarHBondContact O-N 3.06Å; L109-Q136 PolarHBondContact O-NE2 2.96Å
110	Y	82.5	Confident	87	Confident	25 Å²	25	54.7 Å²	54.7	10%	0.098	30%	0.295	C	S	.	.	S	Bend	trans	-92.8	54.3	179.7	-63.7	-62.4	0	0	0	111.9	L33 L54 K55 E58 I63 H101 D108 L113	L33-Y110 HydrophobicContact CD1-CD1 3.94Å; L33-Y110 HydrophobicContact CD1-CE1 4.14Å; L54-Y110 HydrophobicContact CD2-CD1 3.82Å; L54-Y110 HydrophobicContact CD2-CE1 4.17Å; L54-Y110 HydrophobicContact CD2-CG 4.24Å; L54-Y110 HydrophobicContact CG-CD1 4.46Å; L54-Y110 HydrophobicContact CG-CE1 4.42Å; K55-Y110 HydrophobicContact CG-CD2 3.83Å; E58-Y110 HydrophobicContact CB-CE2 3.99Å; E58-Y110 VanDerWaalsContact CD-CE2 3.43Å; E58-Y110 HydrophobicContact CG-CE2 4.2Å; E58-Y110 WeakPolarHBondContact OE1-CE2 3.38Å; E58-Y110 PolarHBondContact OE1-OH 3.01Å; E58-Y110 VanDerWaalsContact OE1-OH 3.07Å; I63-Y110 HydrophobicContact CD1-CE1 4.41Å; I63-Y110 WeakPolarHBondContact CD1-OH 3.17Å; H101-Y110 PolarHBondContact CD2-O 3.22Å; D108-Y110 PolarHBondContact O-N 3.32Å; D108-Y110 PolarHBondContact OD1-N 3.27Å; Y110-L113 HydrophobicContact CD1-CD1 4.23Å; Y110-L113 HydrophobicContact CG-CD1 4.37Å
111	N	87.3	Confident	85.8	Confident	52 Å²	52	54.1 Å²	54.1	28%	0.278	29%	0.292	S	S	.	.			trans	-94.5	161.5	168.9	-150.2	-20.5	0	0	0	110.8	L102 S103 L109 L113 Q136	L102-N111 WeakPolarHBondContact CA-OD1 3.5Å; S103-N111 PolarHBondContact N-OD1 2.84Å; S103-N111 PolarHBondContact O-ND2 3.48Å; L109-N111 VanDerWaalsContact C-N 3.26Å; L109-N111 PolarHBondContact O-N 3.06Å; N111-L113 PolarHBondContact O-N 3.44Å; N111-Q136 PolarHBondContact O-NE2 3.47Å; N111-Q136 VanDerWaalsContact O-NE2 3.07Å
112	N	92.9	Very high	84.2	Confident	39 Å²	39	60.1 Å²	60.1	21%	0.209	32%	0.318	C	S	.	.	S	Bend	trans	57.6	43.5	179.2	-153.9	38.2	0	0	0	114.9	H101 L102 C137 V140 S141 A142	H101-N112 PolarHBondContact O-N 3.44Å; L102-N112 HydrophobicContact CD2-CB 4.48Å; N112-C137 WeakPolarHBondContact ND2-CB 3.17Å; N112-C137 PolarHBondContact ND2-O 3.2Å; N112-C137 PolarHBondContact O-N 2.92Å; N112-V140 PolarHBondContact ND2-O 3.31Å; N112-S141 VanDerWaalsContact OD1-CA 3.3Å; N112-S141 WeakPolarHBondContact OD1-CA 3.41Å; N112-A142 PolarHBondContact OD1-N 3.32Å
113	L	95.2	Very high	82.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.5	-179.1	-53.9	-171.1	0	0	0	112.8	L33 I51 L54 A100 H101 Y110 N111 I134 F135 Q136 A142	L33-L113 HydrophobicContact CD1-CD1 4.15Å; L33-L113 HydrophobicContact CD1-CD2 3.69Å; I51-L113 HydrophobicContact CD1-CB 4.32Å; I51-L113 HydrophobicContact CD1-CD1 3.74Å; L54-L113 HydrophobicContact CD2-CD1 3.87Å; A100-L113 CarbonylContact C-O 3.58Å; A100-L113 WeakPolarHBondContact CA-O 3.42Å; H101-L113 HydrophobicContact CB-CB 4.32Å; H101-L113 PolarHBondContact N-O 2.94Å; H101-L113 PolarHBondContact O-N 2.9Å; Y110-L113 HydrophobicContact CD1-CD1 4.23Å; Y110-L113 HydrophobicContact CG-CD1 4.37Å; N111-L113 PolarHBondContact O-N 3.44Å; L113-I134 HydrophobicContact CB-CG2 4.47Å; L113-I134 HydrophobicContact CD1-CG2 4.07Å; L113-F135 CarbonylContact C-O 3.53Å; L113-F135 VanDerWaalsContact CA-O 3.31Å; L113-F135 WeakPolarHBondContact CA-O 3.44Å; L113-Q136 HydrophobicContact CD2-CB 3.55Å; L113-Q136 HydrophobicContact CD2-CG 3.72Å; L113-A142 VanDerWaalsContact C-CB 3.41Å; L113-A142 VanDerWaalsContact O-CB 3.3Å; L113-A142 WeakPolarHBondContact O-CB 3.44Å
114	L	96.3	Very high	80.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.8	164	175.1	72.3	0	0	0	109.1	L70 F116 I134 F135 A142 L145 A146 I149	L70-L114 HydrophobicContact CD2-CD2 3.77Å; L114-F116 HydrophobicContact CD2-CD1 4.09Å; L114-F116 HydrophobicContact CD2-CE1 4.28Å; L114-F116 HydrophobicContact CG-CD1 4.31Å; L114-I134 WeakPolarHBondContact O-CA 3.49Å; L114-F135 HydrophobicContact CB-CB 4.48Å; L114-F135 PolarHBondContact N-O 3.13Å; L114-F135 PolarHBondContact O-N 2.87Å; L114-A142 HydrophobicContact CB-CB 4.46Å; L114-L145 HydrophobicContact CD2-CD2 3.85Å; L114-L145 HydrophobicContact CD2-CG 4Å; L114-A146 HydrophobicContact CD1-CB 3.84Å; L114-I149 HydrophobicContact CD1-CD1 4.06Å; L114-I149 HydrophobicContact CD2-CD1 3.88Å
115	V	96.3	Very high	79.4	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.7	169	-171.6	0	0	0	0	108.9	P47 I51 P98 T99 M132 H133 I134	P47-V115 HydrophobicContact CB-CB 4.14Å; P47-V115 HydrophobicContact CB-CG1 3.83Å; P47-V115 HydrophobicContact CG-CG1 4.4Å; I51-V115 HydrophobicContact CD1-CG2 3.69Å; I51-V115 HydrophobicContact CG1-CG2 4.12Å; P98-V115 CarbonylContact C-O 3.4Å; P98-V115 WeakPolarHBondContact CA-O 3.49Å; T99-V115 PolarHBondContact N-O 3.09Å; T99-V115 PolarHBondContact O-N 3.24Å; V115-M132 HydrophobicContact CG1-CG 3.59Å; V115-M132 HydrophobicContact CG1-SD 3.94Å; V115-H133 WeakPolarHBondContact CA-O 3.46Å; V115-I134 HydrophobicContact CG1-CG1 4.19Å; V115-I134 HydrophobicContact CG2-CG1 4.17Å; V115-I134 HydrophobicContact CG2-CG2 4.2Å
116	F	95.4	Very high	77.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.8	165.6	61.6	-94.6	0	0	0	110.7	L77 F90 V95 L114 V118 M132 H133 F135	L77-F116 HydrophobicContact CD1-CE1 4.26Å; L77-F116 HydrophobicContact CD1-CZ 4.32Å; L77-F116 HydrophobicContact CD2-CE1 4.12Å; L77-F116 HydrophobicContact CD2-CE2 4.17Å; L77-F116 HydrophobicContact CD2-CZ 3.58Å; F90-F116 HydrophobicContact CD2-CE2 4.24Å; F90-F116 HydrophobicContact CD2-CZ 4.33Å; F90-F116 HydrophobicContact CE2-CE2 4.38Å; F90-F116 HydrophobicContact CE2-CZ 4.29Å; V95-F116 HydrophobicContact CG1-CB 4.31Å; V95-F116 HydrophobicContact CG1-CD2 4.1Å; V95-F116 HydrophobicContact CG1-CG 4.41Å; L114-F116 HydrophobicContact CD2-CD1 4.09Å; L114-F116 HydrophobicContact CD2-CE1 4.28Å; L114-F116 HydrophobicContact CG-CD1 4.31Å; F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 3.76Å; F116-M132 WeakPolarHBondContact O-CA 3.28Å; F116-H133 AromaticContact CD2-CD2 3.98Å; F116-H133 HydrophobicContact CE1-CB 4.47Å; F116-H133 HydrophobicContact CE2-CB 4.22Å; F116-H133 AromaticContact CE2-CD2 3.5Å; F116-H133 HydrophobicContact CZ-CB 4.12Å; F116-H133 PolarHBondContact N-O 2.96Å; F116-H133 PolarHBondContact O-N 3.21Å; F116-F135 HydrophobicContact CD1-CE2 4.44Å; F116-F135 AromaticContact CE1-CD2 3.85Å; F116-F135 HydrophobicContact CE1-CD2 3.85Å; F116-F135 AromaticContact CE1-CE2 3.43Å; F116-F135 HydrophobicContact CE1-CE2 3.43Å; F116-F135 VanDerWaalsContact CE1-CE2 3.43Å; F116-F135 HydrophobicContact CE1-CZ 4.39Å; F116-F135 AromaticContact CZ-CE2 3.66Å; F116-F135 HydrophobicContact CZ-CE2 3.66Å; F116-F135 HydrophobicContact CZ-CZ 4.36Å
117	V	94.1	Very high	76.9	Confident	4 Å²	4	71 Å²	71	2%	0.024	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.4	179.8	177.9	0	0	0	0	109.2	V38 V95 S96 T130 E131 M132	V38-V117 HydrophobicContact CG2-CG1 4.36Å; V95-V117 CarbonylContact C-O 3.58Å; V95-V117 WeakPolarHBondContact CA-O 3.5Å; S96-V117 PolarHBondContact N-O 3.15Å; S96-V117 PolarHBondContact O-N 3.45Å; V117-T130 HydrophobicContact CG1-CG2 3.39Å; V117-E131 CarbonylContact C-O 3.56Å; V117-E131 VanDerWaalsContact CA-O 3.28Å; V117-E131 WeakPolarHBondContact CA-O 3.38Å; V117-M132 HydrophobicContact CG2-CB 4.23Å; V117-M132 HydrophobicContact CG2-CE 4.06Å; V117-M132 HydrophobicContact CG2-CG 4.21Å
118	V	92.2	Very high	76.3	Confident	10 Å²	10	65.4 Å²	65.4	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.7	174.7	176.4	0	0	0	0	107.6	F90 L94 V95 F116 T130 E131 H133	F90-V118 HydrophobicContact CB-CG2 4.31Å; F90-V118 HydrophobicContact CD1-CB 4.33Å; F90-V118 HydrophobicContact CD1-CG1 3.93Å; F90-V118 HydrophobicContact CD1-CG2 3.63Å; F90-V118 HydrophobicContact CE1-CG2 4.06Å; F90-V118 HydrophobicContact CG-CG2 3.99Å; L94-V118 HydrophobicContact CB-CG1 4.29Å; V95-V118 HydrophobicContact CG2-CG2 4.41Å; F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 3.76Å; V118-T130 CarbonylContact O-C 3.53Å; V118-T130 VanDerWaalsContact O-CA 3.27Å; V118-T130 WeakPolarHBondContact O-CA 3.14Å; V118-T130 WeakPolarHBondContact O-CG2 3.21Å; V118-E131 PolarHBondContact N-O 2.96Å; V118-E131 PolarHBondContact O-N 3.29Å; V118-H133 WeakPolarHBondContact CG2-NE2 3.28Å
119	N	90.2	Very high	76.2	Confident	63 Å²	63	66.3 Å²	66.3	34%	0.337	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-87.4	153.9	-173.3	-64.1	-83.8	0	0	0	112.7	L94 S96 G121	L94-N119 PolarHBondContact O-N 3.09Å; L94-N119 PolarHBondContact O-ND2 3.07Å; S96-N119 WeakPolarHBondContact CB-ND2 3.48Å; S96-N119 PolarHBondContact OG-ND2 3.29Å; N119-G121 PolarHBondContact O-N 2.69Å
120	E	80.5	Confident	76.7	Confident	112 Å²	112	61.5 Å²	61.5	52%	0.523	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-55.1	132.3	173.6	-50.9	-164.2	171.9	0	0	111.7	K122 A128 T130	E120-K122 PolarHBondContact O-N 2.98Å; E120-A128 WeakPolarHBondContact CG-O 3.41Å; E120-T130 PolarHBondContact N-OG1 3.08Å
121	G	68.9	Low	77.1	Confident	22 Å²	22	61.8 Å²	61.8	23%	0.227	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.7	129.7	178.5	0	0	0	0	0	111.8	N119 N123	N119-G121 PolarHBondContact O-N 2.69Å; G121-N123 CarbonylContact O-C 3.51Å; G121-N123 PolarHBondContact O-N 3.35Å
122	K	61	Low	77.4	Confident	178 Å²	178	59.3 Å²	59.3	77%	0.774	31%	0.306	S	S	*	.	S	Bend	trans	-50.6	-19.8	-178.2	-65.3	164.2	-173.2	149.1	0	114.8	E120 K124	E120-K122 PolarHBondContact O-N 2.98Å; K122-K124 PolarHBondContact O-N 3.18Å
123	N	55.7	Low	77.5	Confident	131 Å²	131	57.4 Å²	57.4	70%	0.701	30%	0.297	S	S	*	.	S	Bend	trans	-78	104.7	169.3	-73.6	-42.1	0	0	0	111.3	G121 K125 S126	G121-N123 CarbonylContact O-C 3.51Å; G121-N123 PolarHBondContact O-N 3.35Å; N123-K125 PolarHBondContact O-N 2.89Å; N123-S126 PolarHBondContact O-N 2.95Å
124	K	49.6	Very low	77.5	Confident	218 Å²	218	57.4 Å²	57.4	95%	0.948	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	4.6	174.3	-78.4	-171	172.5	-175.8	0	117.7	K122	K122-K124 PolarHBondContact O-N 3.18Å
125	K	47.5	Very low	77.4	Confident	201 Å²	201	57.4 Å²	57.4	87%	0.874	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-20.1	169.2	-69.3	-177.8	176.8	178.4	0	113.1	N123 S127	N123-K125 PolarHBondContact O-N 2.89Å; K125-S127 PolarHBondContact O-N 3.48Å
126	S	48.9	Very low	77.3	Confident	49 Å²	49	59.8 Å²	59.8	34%	0.343	31%	0.308	S	S	.	.			trans	-91.6	84.3	178.3	-166.9	0	0	0	0	110.5	N123 A128	N123-S126 PolarHBondContact O-N 2.95Å; S126-A128 PolarHBondContact O-N 2.95Å
127	S	53.8	Low	77.2	Confident	100 Å²	100	60.1 Å²	60.1	70%	0.699	31%	0.31	S	S	*	.			trans	-78.5	42.6	178.7	-174.8	0	0	0	0	112.7	K125	K125-S127 PolarHBondContact O-N 3.48Å
128	A	61.7	Low	77	Confident	9 Å²	9	62.9 Å²	62.9	7%	0.074	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-87.2	133.1	167.2	0	0	0	0	0	108.1	E120 S126 P280	E120-A128 WeakPolarHBondContact CG-O 3.41Å; S126-A128 PolarHBondContact O-N 2.95Å; A128-P280 HydrophobicContact CB-CG 3.84Å
129	P	74.4	Confident	76.5	Confident	53 Å²	53	66.9 Å²	66.9	34%	0.344	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-68.8	164.7	178	31.5	-35.1	0	0	0	111.1	E131	P129-E131 HydrophobicContact CG-CG 4.22Å; P129-E131 PolarHBondContact O-N 3.24Å
130	T	87	Confident	76.4	Confident	24 Å²	24	65 Å²	65	15%	0.147	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.1	130.1	163.2	-62.7	0	0	0	0	109.2	V38 V117 V118 E120	V38-T130 HydrophobicContact CB-CG2 3.72Å; V38-T130 HydrophobicContact CG1-CG2 4.28Å; V38-T130 HydrophobicContact CG2-CG2 4.07Å; V38-T130 PolarHBondContact N-O 2.97Å; V117-T130 HydrophobicContact CG1-CG2 3.39Å; V118-T130 CarbonylContact O-C 3.53Å; V118-T130 VanDerWaalsContact O-CA 3.27Å; V118-T130 WeakPolarHBondContact O-CA 3.14Å; V118-T130 WeakPolarHBondContact O-CG2 3.21Å; E120-T130 PolarHBondContact N-OG1 3.08Å
131	E	90.9	Very high	76.9	Confident	31 Å²	31	62 Å²	62	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.2	-176.9	-73.7	-179.9	-166.3	0	0	111.7	T35 F36 V117 V118 P129 H133	T35-E131 HydrophobicContact CG2-CB 3.99Å; T35-E131 HydrophobicContact CG2-CG 4.15Å; T35-E131 WeakPolarHBondContact CG2-OE2 3.44Å; F36-E131 CarbonylContact O-C 3.58Å; F36-E131 WeakPolarHBondContact O-CA 3.48Å; V117-E131 CarbonylContact C-O 3.56Å; V117-E131 VanDerWaalsContact CA-O 3.28Å; V117-E131 WeakPolarHBondContact CA-O 3.38Å; V118-E131 PolarHBondContact N-O 2.96Å; V118-E131 PolarHBondContact O-N 3.29Å; P129-E131 HydrophobicContact CG-CG 4.22Å; P129-E131 PolarHBondContact O-N 3.24Å; E131-H133 IonicContact OE2-CE1 3.3Å; E131-H133 PolarHBondContact OE2-CE1 2.8Å
132	M	93.5	Very high	78.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.5	175.2	178.6	-174.3	-60.8	0	0	108.6	T35 F36 V38 W46 V115 F116 V117	T35-M132 CarbonylContact C-O 3.53Å; T35-M132 WeakPolarHBondContact CA-O 3.41Å; F36-M132 PolarHBondContact N-O 3.03Å; F36-M132 PolarHBondContact O-N 3.41Å; V38-M132 HydrophobicContact CG2-CB 3.51Å; V38-M132 HydrophobicContact CG2-CE 4.17Å; W46-M132 WeakPolarHBondContact O-CE 3.28Å; V115-M132 HydrophobicContact CG1-CG 3.59Å; V115-M132 HydrophobicContact CG1-SD 3.94Å; F116-M132 WeakPolarHBondContact O-CA 3.28Å; V117-M132 HydrophobicContact CG2-CB 4.23Å; V117-M132 HydrophobicContact CG2-CE 4.06Å; V117-M132 HydrophobicContact CG2-CG 4.21Å
133	H	94.3	Very high	79.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.8	-177.8	-47.3	-84.3	0	0	0	109.8	T35 F90 V115 F116 V118 E131 F135	T35-H133 WeakPolarHBondContact CG2-ND1 3.28Å; T35-H133 PolarHBondContact OG1-ND1 3.34Å; T35-H133 VanDerWaalsContact OG1-ND1 3.09Å; F90-H133 AromaticContact CE1-CE1 3.89Å; F90-H133 AromaticContact CE1-NE2 3.67Å; F90-H133 AromaticContact CZ-CE1 3.75Å; F90-H133 AromaticContact CZ-NE2 3.77Å; V115-H133 WeakPolarHBondContact CA-O 3.46Å; F116-H133 AromaticContact CD2-CD2 3.98Å; F116-H133 HydrophobicContact CE1-CB 4.47Å; F116-H133 HydrophobicContact CE2-CB 4.22Å; F116-H133 AromaticContact CE2-CD2 3.5Å; F116-H133 HydrophobicContact CZ-CB 4.12Å; F116-H133 PolarHBondContact N-O 2.96Å; F116-H133 PolarHBondContact O-N 3.21Å; V118-H133 WeakPolarHBondContact CG2-NE2 3.28Å; E131-H133 IonicContact OE2-CE1 3.3Å; E131-H133 PolarHBondContact OE2-CE1 2.8Å; H133-F135 HydrophobicContact CB-CD2 4.27Å; H133-F135 HydrophobicContact CB-CE2 3.56Å; H133-F135 HydrophobicContact CB-CZ 4.36Å
134	I	95.3	Very high	81.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.7	-179.4	-52	175.7	0	0	0	109.1	L33 A34 F36 I51 L54 L113 L114 V115	L33-I134 PolarHBondContact N-O 3.42Å; A34-I134 PolarHBondContact N-O 3.24Å; A34-I134 PolarHBondContact O-N 3.38Å; F36-I134 HydrophobicContact CD2-CD1 4.21Å; F36-I134 HydrophobicContact CE2-CD1 3.82Å; I51-I134 HydrophobicContact CD1-CG2 4.22Å; L54-I134 HydrophobicContact CB-CD1 4.42Å; L54-I134 HydrophobicContact CD2-CG2 4.07Å; L113-I134 HydrophobicContact CB-CG2 4.47Å; L113-I134 HydrophobicContact CD1-CG2 4.07Å; L114-I134 WeakPolarHBondContact O-CA 3.49Å; V115-I134 HydrophobicContact CG1-CG1 4.19Å; V115-I134 HydrophobicContact CG2-CG1 4.17Å; V115-I134 HydrophobicContact CG2-CG2 4.2Å
135	F	95.3	Very high	83.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	-178.6	-64	-98.8	0	0	0	110.8	V30 E31 H32 M68 L70 V79 L113 L114 F116 H133 I284	V30-F135 HydrophobicContact CB-CB 4.28Å; V30-F135 HydrophobicContact CB-CD1 4.18Å; V30-F135 HydrophobicContact CG2-CD1 3.66Å; V30-F135 HydrophobicContact CG2-CE1 4.18Å; V30-F135 HydrophobicContact CG2-CG 4.45Å; E31-F135 CarbonylContact O-C 3.5Å; E31-F135 VanDerWaalsContact O-CA 3.31Å; E31-F135 WeakPolarHBondContact O-CA 3.14Å; H32-F135 HydrophobicContact CB-CD1 3.76Å; H32-F135 HydrophobicContact CB-CE1 3.68Å; H32-F135 AromaticContact CD2-CE1 3.88Å; H32-F135 AromaticContact CD2-CZ 3.85Å; M68-F135 HydrophobicContact SD-CE1 3.89Å; L70-F135 HydrophobicContact CD1-CZ 4.41Å; V79-F135 HydrophobicContact CG2-CZ 4.26Å; L113-F135 CarbonylContact C-O 3.53Å; L113-F135 VanDerWaalsContact CA-O 3.31Å; L113-F135 WeakPolarHBondContact CA-O 3.44Å; L114-F135 HydrophobicContact CB-CB 4.48Å; L114-F135 PolarHBondContact N-O 3.13Å; L114-F135 PolarHBondContact O-N 2.87Å; F116-F135 HydrophobicContact CD1-CE2 4.44Å; F116-F135 AromaticContact CE1-CD2 3.85Å; F116-F135 HydrophobicContact CE1-CD2 3.85Å; F116-F135 AromaticContact CE1-CE2 3.43Å; F116-F135 HydrophobicContact CE1-CE2 3.43Å; F116-F135 VanDerWaalsContact CE1-CE2 3.43Å; F116-F135 HydrophobicContact CE1-CZ 4.39Å; F116-F135 AromaticContact CZ-CE2 3.66Å; F116-F135 HydrophobicContact CZ-CE2 3.66Å; F116-F135 HydrophobicContact CZ-CZ 4.36Å; H133-F135 HydrophobicContact CB-CD2 4.27Å; H133-F135 HydrophobicContact CB-CE2 3.56Å; H133-F135 HydrophobicContact CB-CZ 4.36Å; F135-I284 HydrophobicContact CZ-CD1 4.45Å
136	Q	94.2	Very high	85.8	Confident	51 Å²	51	31.7 Å²	31.7	24%	0.238	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.2	164.4	-168.8	153.5	39.6	0	0	110	V30 E31 L33 L109 N111 L113	V30-Q136 CarbonylContact C-O 3.56Å; V30-Q136 WeakPolarHBondContact CA-O 3.48Å; E31-Q136 HydrophobicContact CB-CB 4.36Å; E31-Q136 PolarHBondContact N-O 3.39Å; E31-Q136 PolarHBondContact O-N 2.87Å; L33-Q136 HydrophobicContact CD1-CB 4.19Å; L33-Q136 HydrophobicContact CD2-CB 4.36Å; L33-Q136 HydrophobicContact CG-CB 4.34Å; L109-Q136 PolarHBondContact O-NE2 2.96Å; N111-Q136 PolarHBondContact O-NE2 3.47Å; N111-Q136 VanDerWaalsContact O-NE2 3.07Å; L113-Q136 HydrophobicContact CD2-CB 3.55Å; L113-Q136 HydrophobicContact CD2-CG 3.72Å
137	C	93.4	Very high	87.9	Confident	7 Å²	7	32.9 Å²	32.9	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.2	178.5	-62.2	0	0	0	0	109.4	N112 V140 A142	N112-C137 WeakPolarHBondContact ND2-CB 3.17Å; N112-C137 PolarHBondContact ND2-O 3.2Å; N112-C137 PolarHBondContact O-N 2.92Å; C137-V140 WeakPolarHBondContact CB-O 3.48Å; C137-A142 HydrophobicContact CB-CB 4.42Å
138	V	87.9	Confident	89.8	Confident	61 Å²	61	28.2 Å²	28.2	37%	0.37	16%	0.158	S	C	.	.	S	Bend	trans	-87.7	-48.9	-169.3	-176	0	0	0	0	112.5	L29 E31	L29-V138 HydrophobicContact CD2-CB 4.23Å; L29-V138 HydrophobicContact CD2-CG1 4.15Å; L29-V138 HydrophobicContact CG-CB 4.19Å; L29-V138 HydrophobicContact CG-CG2 4.21Å; L29-V138 PolarHBondContact O-N 3Å; E31-V138 HydrophobicContact CG-CG2 3.99Å
139	Q	83.5	Confident	91.3	Very high	95 Å²	95	27.8 Å²	27.8	44%	0.444	16%	0.155	S	C	.	.	S	Bend	trans	-112.8	-3.3	-172.7	-61.9	-170.6	-53.9	0	0	114.6	S166	Q139-S166 PolarHBondContact NE2-OG 3.16Å; Q139-S166 PolarHBondContact OE1-OG 3.15Å
140	V	87.5	Confident	92.2	Very high	23 Å²	23	28.3 Å²	28.3	14%	0.139	15%	0.152	C	C	.	.	S	Bend	trans	-136.9	150.8	-172.3	-178.4	0	0	0	0	109	Y28 N112 C137 Q144 R165	Y28-V140 HydrophobicContact CD1-CB 4.21Å; Y28-V140 HydrophobicContact CD1-CG1 4.22Å; Y28-V140 HydrophobicContact CD1-CG2 3.88Å; Y28-V140 HydrophobicContact CE1-CG1 4.1Å; Y28-V140 HydrophobicContact CE1-CG2 4.17Å; N112-V140 PolarHBondContact ND2-O 3.31Å; C137-V140 WeakPolarHBondContact CB-O 3.48Å; V140-Q144 HydrophobicContact CG1-CB 4.2Å; V140-Q144 HydrophobicContact CG1-CG 4.39Å; V140-R165 HydrophobicContact CG2-CB 3.64Å; V140-R165 WeakPolarHBondContact CG2-O 3.44Å
141	S	91.6	Very high	92.4	Very high	49 Å²	49	29.3 Å²	29.3	34%	0.343	16%	0.155	S	C	.	.			trans	-69.4	135.2	173.3	59.9	0	0	0	0	111.4	N112 S143 Q144 L145	N112-S141 VanDerWaalsContact OD1-CA 3.3Å; N112-S141 WeakPolarHBondContact OD1-CA 3.41Å; S141-S143 WeakPolarHBondContact CB-OG 3.4Å; S141-S143 PolarHBondContact O-N 2.81Å; S141-S143 PolarHBondContact OG-OG 3.48Å; S141-Q144 PolarHBondContact O-N 3.1Å; S141-Q144 VanDerWaalsContact O-N 3.12Å; S141-Q144 WeakPolarHBondContact OG-CB 3.44Å; S141-Q144 PolarHBondContact OG-N 2.98Å; S141-L145 PolarHBondContact O-N 2.79Å; S141-L145 VanDerWaalsContact O-N 3.14Å
142	A	93.5	Very high	92.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-27.2	175.5	0	0	0	0	0	112.1	A100 N112 L113 L114 C137 A146	A100-A142 VanDerWaalsContact CB-C 3.47Å; A100-A142 HydrophobicContact CB-CB 4.01Å; A100-A142 WeakPolarHBondContact CB-O 3.22Å; N112-A142 PolarHBondContact OD1-N 3.32Å; L113-A142 VanDerWaalsContact C-CB 3.41Å; L113-A142 VanDerWaalsContact O-CB 3.3Å; L113-A142 WeakPolarHBondContact O-CB 3.44Å; L114-A142 HydrophobicContact CB-CB 4.46Å; C137-A142 HydrophobicContact CB-CB 4.42Å; A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 2.86Å
143	S	93.5	Very high	92.3	Very high	42 Å²	42	31.5 Å²	31.5	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-62.6	-50.2	172.3	48.8	0	0	0	0	112.3	S141 L145 A146 D147	S141-S143 WeakPolarHBondContact CB-OG 3.4Å; S141-S143 PolarHBondContact O-N 2.81Å; S141-S143 PolarHBondContact OG-OG 3.48Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 2.82Å; S143-A146 PolarHBondContact O-N 3.5Å; S143-D147 WeakPolarHBondContact O-CB 3.49Å; S143-D147 PolarHBondContact O-N 2.94Å
144	Q	91.9	Very high	92.2	Very high	70 Å²	70	39.8 Å²	39.8	33%	0.327	20%	0.198	S	C	.	.	H	α-helix	trans	-60.5	-43.3	176.5	-177.8	67.8	63.2	0	0	111.1	V140 S141 D147 D148 R165	V140-Q144 HydrophobicContact CG1-CB 4.2Å; V140-Q144 HydrophobicContact CG1-CG 4.39Å; S141-Q144 PolarHBondContact O-N 3.1Å; S141-Q144 VanDerWaalsContact O-N 3.12Å; S141-Q144 WeakPolarHBondContact OG-CB 3.44Å; S141-Q144 PolarHBondContact OG-N 2.98Å; Q144-D147 PolarHBondContact O-N 2.97Å; Q144-D148 PolarHBondContact NE2-OD1 3.42Å; Q144-D148 WeakPolarHBondContact O-CB 3.3Å; Q144-D148 PolarHBondContact O-N 2.93Å; Q144-R165 VanDerWaalsContact NE2-NH2 3.17Å
145	L	93.8	Very high	91.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-42.1	-179.6	-176.7	50.6	0	0	0	112.2	Y28 V30 L70 L72 L114 S141 S143 D147 D148 I149	Y28-L145 HydrophobicContact CD1-CD1 4.07Å; Y28-L145 HydrophobicContact CD1-CD2 4.44Å; Y28-L145 HydrophobicContact CD2-CD1 3.37Å; Y28-L145 HydrophobicContact CE1-CD1 4.21Å; Y28-L145 HydrophobicContact CE2-CD1 3.51Å; Y28-L145 HydrophobicContact CG-CD1 3.68Å; Y28-L145 HydrophobicContact CG-CD2 4.08Å; Y28-L145 HydrophobicContact CG-CG 4.49Å; V30-L145 HydrophobicContact CG1-CD2 4.1Å; L70-L145 HydrophobicContact CD2-CD1 4.47Å; L70-L145 HydrophobicContact CD2-CD2 4.06Å; L72-L145 HydrophobicContact CD1-CD1 4.38Å; L114-L145 HydrophobicContact CD2-CD2 3.85Å; L114-L145 HydrophobicContact CD2-CG 4Å; S141-L145 PolarHBondContact O-N 2.79Å; S141-L145 VanDerWaalsContact O-N 3.14Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 2.82Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 3.49Å; L145-D148 PolarHBondContact O-N 3.18Å; L145-I149 HydrophobicContact CD1-CD1 4.3Å; L145-I149 HydrophobicContact CD1-CG1 4.47Å; L145-I149 HydrophobicContact CG-CD1 4.26Å; L145-I149 VanDerWaalsContact O-CG1 3.27Å; L145-I149 WeakPolarHBondContact O-CG1 3.3Å; L145-I149 PolarHBondContact O-N 2.88Å
146	A	95	Very high	91.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-39	173.9	0	0	0	0	0	111.9	A100 L114 A142 S143 I149 K150	A100-A146 HydrophobicContact CB-CB 4.23Å; L114-A146 HydrophobicContact CD1-CB 3.84Å; A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 2.86Å; S143-A146 PolarHBondContact O-N 3.5Å; A146-I149 PolarHBondContact O-N 2.9Å; A146-K150 WeakPolarHBondContact O-CE 3.21Å; A146-K150 VanDerWaalsContact O-CG 3.26Å; A146-K150 WeakPolarHBondContact O-CG 3.39Å; A146-K150 PolarHBondContact O-N 3.03Å
147	D	93.8	Very high	90.6	Very high	75 Å²	75	49.8 Å²	49.8	40%	0.401	25%	0.248	S	C	.	.	H	α-helix	trans	-73.1	-34	177.4	-72.8	-23.2	0	0	0	112.8	S143 Q144 L145 K150 Q151	S143-D147 WeakPolarHBondContact O-CB 3.49Å; S143-D147 PolarHBondContact O-N 2.94Å; Q144-D147 PolarHBondContact O-N 2.97Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 3.49Å; D147-K150 WeakPolarHBondContact O-CB 3.3Å; D147-K150 PolarHBondContact O-N 2.94Å; D147-K150 WeakPolarHBondContact OD1-CD 3.32Å; D147-K150 WeakPolarHBondContact OD1-CE 3.36Å; D147-K150 IonicContact OD1-NZ 3.53Å; D147-K150 PolarHBondContact OD1-NZ 2.89Å; D147-Q151 WeakPolarHBondContact O-CG 3.31Å; D147-Q151 PolarHBondContact O-N 2.83Å
148	D	92.9	Very high	89.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-41	170.7	-70.2	-9.5	0	0	0	111.5	Y28 L72 Q144 L145 K150 Q151 Y152 V160 R165	Y28-D148 PolarHBondContact OH-OD2 2.78Å; L72-D148 HydrophobicContact CD1-CB 4.12Å; Q144-D148 PolarHBondContact NE2-OD1 3.42Å; Q144-D148 WeakPolarHBondContact O-CB 3.3Å; Q144-D148 PolarHBondContact O-N 2.93Å; L145-D148 PolarHBondContact O-N 3.18Å; D148-K150 PolarHBondContact O-N 2.76Å; D148-Q151 WeakPolarHBondContact O-CB 3.39Å; D148-Q151 PolarHBondContact O-N 3.39Å; D148-Q151 VanDerWaalsContact O-N 3.14Å; D148-Q151 PolarHBondContact OD1-NE2 3.14Å; D148-Y152 WeakPolarHBondContact O-CD2 3.28Å; D148-Y152 PolarHBondContact O-N 3.15Å; D148-V160 HydrophobicContact CB-CG1 4Å; D148-V160 HydrophobicContact CB-CG2 3.85Å; D148-V160 WeakPolarHBondContact OD2-CG1 3.28Å; D148-R165 IonicContact OD1-NH2 3.17Å; D148-R165 PolarHBondContact OD1-NH2 3.49Å; D148-R165 IonicContact OD2-CZ 3.62Å; D148-R165 IonicContact OD2-NE 2.77Å; D148-R165 IonicContact OD2-NH2 3.91Å; D148-R165 PolarHBondContact OD2-NH2 2.85Å
149	I	93.8	Very high	89.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-41.6	171.9	-65.4	162.8	0	0	0	110.7	L72 L77 V95 P98 L114 L145 A146 Q151 Y152 L153	L72-I149 HydrophobicContact CD1-CG1 3.98Å; L72-I149 HydrophobicContact CD2-CD1 4.47Å; L72-I149 HydrophobicContact CD2-CG1 3.77Å; L77-I149 HydrophobicContact CD1-CD1 3.82Å; L77-I149 HydrophobicContact CD1-CG1 4.06Å; L77-I149 HydrophobicContact CD1-CG2 4.4Å; V95-I149 HydrophobicContact CG1-CG2 4.43Å; P98-I149 HydrophobicContact CB-CB 4.08Å; P98-I149 HydrophobicContact CB-CG2 3.74Å; P98-I149 HydrophobicContact CG-CG2 4.01Å; L114-I149 HydrophobicContact CD1-CD1 4.06Å; L114-I149 HydrophobicContact CD2-CD1 3.88Å; L145-I149 HydrophobicContact CD1-CD1 4.3Å; L145-I149 HydrophobicContact CD1-CG1 4.47Å; L145-I149 HydrophobicContact CG-CD1 4.26Å; L145-I149 VanDerWaalsContact O-CG1 3.27Å; L145-I149 WeakPolarHBondContact O-CG1 3.3Å; L145-I149 PolarHBondContact O-N 2.88Å; A146-I149 PolarHBondContact O-N 2.9Å; I149-Q151 VanDerWaalsContact C-N 3.29Å; I149-Q151 PolarHBondContact O-N 3.39Å; I149-Y152 WeakPolarHBondContact O-CB 3.43Å; I149-Y152 PolarHBondContact O-N 3.28Å; I149-L153 HydrophobicContact CG2-CD1 4Å; I149-L153 HydrophobicContact CG2-CG 4.42Å; I149-L153 WeakPolarHBondContact O-CG 3.31Å; I149-L153 PolarHBondContact O-N 3.47Å
150	K	93.8	Very high	89.1	Confident	63 Å²	63	55.4 Å²	55.4	27%	0.274	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-33.5	173.3	-67.9	164.2	-147	161.6	0	112.5	P98 A146 D147 D148 R154	P98-K150 HydrophobicContact CG-CD 4.48Å; P98-K150 HydrophobicContact CG-CG 3.61Å; P98-K150 WeakPolarHBondContact O-CE 3.49Å; A146-K150 WeakPolarHBondContact O-CE 3.21Å; A146-K150 VanDerWaalsContact O-CG 3.26Å; A146-K150 WeakPolarHBondContact O-CG 3.39Å; A146-K150 PolarHBondContact O-N 3.03Å; D147-K150 WeakPolarHBondContact O-CB 3.3Å; D147-K150 PolarHBondContact O-N 2.94Å; D147-K150 WeakPolarHBondContact OD1-CD 3.32Å; D147-K150 WeakPolarHBondContact OD1-CE 3.36Å; D147-K150 IonicContact OD1-NZ 3.53Å; D147-K150 PolarHBondContact OD1-NZ 2.89Å; D148-K150 PolarHBondContact O-N 2.76Å; K150-R154 WeakPolarHBondContact O-CB 3.36Å; K150-R154 VanDerWaalsContact O-CD 3.29Å; K150-R154 WeakPolarHBondContact O-CD 3.32Å; K150-R154 WeakPolarHBondContact O-CG 3.49Å; K150-R154 PolarHBondContact O-N 3.22Å; K150-R154 VanDerWaalsContact O-N 3.16Å
151	Q	91.3	Very high	88.4	Confident	46 Å²	46	57.7 Å²	57.7	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-40.7	174.4	-71.8	-178.5	94.9	0	0	111.4	D147 D148 I149 R154 G155 R156 V160	D147-Q151 WeakPolarHBondContact O-CG 3.31Å; D147-Q151 PolarHBondContact O-N 2.83Å; D148-Q151 WeakPolarHBondContact O-CB 3.39Å; D148-Q151 PolarHBondContact O-N 3.39Å; D148-Q151 VanDerWaalsContact O-N 3.14Å; D148-Q151 PolarHBondContact OD1-NE2 3.14Å; I149-Q151 VanDerWaalsContact C-N 3.29Å; I149-Q151 PolarHBondContact O-N 3.39Å; Q151-R154 CarbonylContact O-C 3.56Å; Q151-R154 PolarHBondContact O-N 2.89Å; Q151-G155 PolarHBondContact O-N 3.4Å; Q151-R156 HydrophobicContact CB-CB 4.49Å; Q151-R156 WeakPolarHBondContact O-CA 3.43Å; Q151-R156 PolarHBondContact O-N 2.94Å; Q151-V160 HydrophobicContact CB-CG2 3.95Å
152	Y	91.7	Very high	87	Confident	10 Å²	10	59.8 Å²	59.8	4%	0.039	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-48.8	172.9	-91.7	-116.6	0	0	0	112	P26 L72 L73 L92 D148 I149 R154 G155 F157 V160	P26-Y152 WeakPolarHBondContact CD-OH 3.37Å; P26-Y152 HydrophobicContact CG-CE2 4.38Å; L72-Y152 VanDerWaalsContact C-CE1 3.44Å; L72-Y152 HydrophobicContact CB-CD1 3.79Å; L72-Y152 HydrophobicContact CB-CD2 4.42Å; L72-Y152 HydrophobicContact CB-CE1 3.57Å; L72-Y152 HydrophobicContact CB-CE2 4.24Å; L72-Y152 HydrophobicContact CB-CG 4.23Å; L72-Y152 HydrophobicContact CD1-CD2 4.29Å; L72-Y152 HydrophobicContact CD1-CE2 4.48Å; L72-Y152 HydrophobicContact CD1-CG 4.5Å; L72-Y152 WeakPolarHBondContact O-CE1 3.4Å; L72-Y152 PolarHBondContact O-OH 3.42Å; L73-Y152 WeakPolarHBondContact O-CD1 3.49Å; L92-Y152 HydrophobicContact CD2-CD1 4.45Å; D148-Y152 WeakPolarHBondContact O-CD2 3.28Å; D148-Y152 PolarHBondContact O-N 3.15Å; I149-Y152 WeakPolarHBondContact O-CB 3.43Å; I149-Y152 PolarHBondContact O-N 3.28Å; Y152-R154 PolarHBondContact O-N 3.07Å; Y152-R154 VanDerWaalsContact O-N 3.13Å; Y152-G155 PolarHBondContact O-N 3.18Å; Y152-F157 AromaticContact CD1-CD1 3.46Å; Y152-F157 HydrophobicContact CD1-CD1 3.46Å; Y152-F157 VanDerWaalsContact CD1-CD1 3.46Å; Y152-F157 AromaticContact CD1-CE1 3.88Å; Y152-F157 HydrophobicContact CD1-CE1 3.88Å; Y152-F157 HydrophobicContact CD2-CD1 4.07Å; Y152-F157 AromaticContact CE1-CD1 3.7Å; Y152-F157 HydrophobicContact CE1-CD1 3.7Å; Y152-F157 HydrophobicContact CE1-CE1 4.43Å; Y152-F157 HydrophobicContact CE1-CG 4.49Å; Y152-F157 HydrophobicContact CE2-CB 4.29Å; Y152-F157 HydrophobicContact CE2-CD1 4.27Å; Y152-F157 AromaticContact CG-CD1 3.66Å; Y152-F157 HydrophobicContact CG-CD1 3.66Å; Y152-F157 HydrophobicContact CG-CE1 4.15Å; Y152-F157 VanDerWaalsContact O-CE1 3.25Å; Y152-F157 WeakPolarHBondContact O-CE1 3.09Å; Y152-V160 HydrophobicContact CD2-CG2 3.96Å; Y152-V160 HydrophobicContact CE2-CB 4.02Å; Y152-V160 HydrophobicContact CE2-CG2 3.82Å
153	L	91.4	Very high	85.2	Confident	67 Å²	67	61.1 Å²	61.1	35%	0.351	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-26.1	174.3	-72.9	165.5	0	0	0	113.4	L92 V95 P98 I149	L92-L153 HydrophobicContact CD1-CD2 3.8Å; L92-L153 HydrophobicContact CD1-CG 4.07Å; L92-L153 HydrophobicContact CG-CD2 4.01Å; L92-L153 WeakPolarHBondContact O-CD2 3.46Å; V95-L153 HydrophobicContact CB-CD2 4.43Å; V95-L153 WeakPolarHBondContact O-CD2 3.45Å; P98-L153 HydrophobicContact CG-CD1 3.83Å; I149-L153 HydrophobicContact CG2-CD1 4Å; I149-L153 HydrophobicContact CG2-CG 4.42Å; I149-L153 WeakPolarHBondContact O-CG 3.31Å; I149-L153 PolarHBondContact O-N 3.47Å
154	R	90.9	Very high	83.4	Confident	173 Å²	173	66.6 Å²	66.6	65%	0.653	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	5.8	175.1	-70.2	167.4	178.6	171	-1.9	113.7	K150 Q151 Y152 R156	K150-R154 WeakPolarHBondContact O-CB 3.36Å; K150-R154 VanDerWaalsContact O-CD 3.29Å; K150-R154 WeakPolarHBondContact O-CD 3.32Å; K150-R154 WeakPolarHBondContact O-CG 3.49Å; K150-R154 PolarHBondContact O-N 3.22Å; K150-R154 VanDerWaalsContact O-N 3.16Å; Q151-R154 CarbonylContact O-C 3.56Å; Q151-R154 PolarHBondContact O-N 2.89Å; Y152-R154 PolarHBondContact O-N 3.07Å; Y152-R154 VanDerWaalsContact O-N 3.13Å; R154-R156 HydrophobicContact CB-CG 4.24Å; R154-R156 PolarHBondContact O-N 3.5Å
155	G	85.8	Confident	81.7	Confident	44 Å²	44	66.7 Å²	66.7	45%	0.454	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	11.9	-176.6	0	0	0	0	0	114.9	Q151 Y152 F157	Q151-G155 PolarHBondContact O-N 3.4Å; Y152-G155 PolarHBondContact O-N 3.18Å; G155-F157 VanDerWaalsContact C-N 3.31Å; G155-F157 PolarHBondContact O-N 3.36Å
156	R	84.7	Confident	79.2	Confident	165 Å²	165	69.9 Å²	69.9	62%	0.623	35%	0.352	S	S	*	.			trans	-95.1	41.8	-173.9	-61.3	-171.5	-177.9	-175.1	-0.5	112.5	Q151 R154 K158 A159	Q151-R156 HydrophobicContact CB-CB 4.49Å; Q151-R156 WeakPolarHBondContact O-CA 3.43Å; Q151-R156 PolarHBondContact O-N 2.94Å; R154-R156 HydrophobicContact CB-CG 4.24Å; R154-R156 PolarHBondContact O-N 3.5Å; R156-K158 VanDerWaalsContact C-N 3.26Å; R156-K158 PolarHBondContact O-N 3.22Å; R156-K158 VanDerWaalsContact O-N 3.13Å; R156-A159 HydrophobicContact CB-CB 4.4Å; R156-A159 WeakPolarHBondContact O-CB 3.48Å; R156-A159 PolarHBondContact O-N 2.95Å
157	F	81	Confident	76.2	Confident	52 Å²	52	73 Å²	73	23%	0.228	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-48.4	-45.5	-174.1	-43.1	-62.3	0	0	0	113.1	P74 L92 Y152 G155 A159 V160	P74-F157 HydrophobicContact CB-CD1 4.12Å; P74-F157 HydrophobicContact CB-CD2 3.99Å; P74-F157 HydrophobicContact CB-CE1 4Å; P74-F157 HydrophobicContact CB-CE2 3.87Å; P74-F157 HydrophobicContact CB-CG 4.11Å; P74-F157 HydrophobicContact CB-CZ 3.86Å; P74-F157 HydrophobicContact CG-CD2 4.46Å; P74-F157 HydrophobicContact CG-CG 4.31Å; P74-F157 WeakPolarHBondContact O-CE1 3.46Å; P74-F157 WeakPolarHBondContact O-CZ 3.25Å; L92-F157 HydrophobicContact CD2-CE1 4.13Å; Y152-F157 AromaticContact CD1-CD1 3.46Å; Y152-F157 HydrophobicContact CD1-CD1 3.46Å; Y152-F157 VanDerWaalsContact CD1-CD1 3.46Å; Y152-F157 AromaticContact CD1-CE1 3.88Å; Y152-F157 HydrophobicContact CD1-CE1 3.88Å; Y152-F157 HydrophobicContact CD2-CD1 4.07Å; Y152-F157 AromaticContact CE1-CD1 3.7Å; Y152-F157 HydrophobicContact CE1-CD1 3.7Å; Y152-F157 HydrophobicContact CE1-CE1 4.43Å; Y152-F157 HydrophobicContact CE1-CG 4.49Å; Y152-F157 HydrophobicContact CE2-CB 4.29Å; Y152-F157 HydrophobicContact CE2-CD1 4.27Å; Y152-F157 AromaticContact CG-CD1 3.66Å; Y152-F157 HydrophobicContact CG-CD1 3.66Å; Y152-F157 HydrophobicContact CG-CE1 4.15Å; Y152-F157 VanDerWaalsContact O-CE1 3.25Å; Y152-F157 WeakPolarHBondContact O-CE1 3.09Å; G155-F157 VanDerWaalsContact C-N 3.31Å; G155-F157 PolarHBondContact O-N 3.36Å; F157-A159 PolarHBondContact O-N 2.88Å; F157-A159 VanDerWaalsContact O-N 3.09Å; F157-V160 PolarHBondContact O-N 3.42Å; F157-V160 VanDerWaalsContact O-N 3.12Å
158	K	76.3	Confident	73.1	Confident	216 Å²	216	72.6 Å²	72.6	94%	0.939	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-66	-7.4	-179.7	-65	-165.9	172.2	-161.6	0	115.8	R156	R156-K158 VanDerWaalsContact C-N 3.26Å; R156-K158 PolarHBondContact O-N 3.22Å; R156-K158 VanDerWaalsContact O-N 3.13Å
159	A	77.8	Confident	70.1	Confident	57 Å²	57	78.3 Å²	78.3	47%	0.471	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-88.2	-11.8	175.1	0	0	0	0	0	112.7	R156 F157	R156-A159 HydrophobicContact CB-CB 4.4Å; R156-A159 WeakPolarHBondContact O-CB 3.48Å; R156-A159 PolarHBondContact O-N 2.95Å; F157-A159 PolarHBondContact O-N 2.88Å; F157-A159 VanDerWaalsContact O-N 3.09Å
160	V	79.8	Confident	67.1	Low	8 Å²	8	81.9 Å²	81.9	5%	0.048	48%	0.476	C	S	.	.	S	Bend	trans	-92.1	126.4	170.6	-175.8	0	0	0	0	108.8	P26 D148 Q151 Y152 F157	P26-V160 HydrophobicContact CB-CG1 4.22Å; P26-V160 HydrophobicContact CG-CG1 3.86Å; D148-V160 HydrophobicContact CB-CG1 4Å; D148-V160 HydrophobicContact CB-CG2 3.85Å; D148-V160 WeakPolarHBondContact OD2-CG1 3.28Å; Q151-V160 HydrophobicContact CB-CG2 3.95Å; Y152-V160 HydrophobicContact CD2-CG2 3.96Å; Y152-V160 HydrophobicContact CE2-CB 4.02Å; Y152-V160 HydrophobicContact CE2-CG2 3.82Å; F157-V160 PolarHBondContact O-N 3.42Å; F157-V160 VanDerWaalsContact O-N 3.12Å
161	P	72.3	Confident	64.3	Low	72 Å²	72	86 Å²	86	47%	0.468	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-61.6	136.3	175	-24.6	34.9	0	0	0	112.4
162	P	63.3	Low	61.3	Low	93 Å²	93	87.8 Å²	87.8	60%	0.604	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-73	161	178.5	31.5	-36.9	0	0	0	112.8	E24	E24-P162 VanDerWaalsContact O-CB 3.28Å; E24-P162 WeakPolarHBondContact O-CB 3.43Å
163	G	55.6	Low	58.4	Low	28 Å²	28	91.2 Å²	91.2	29%	0.289	58%	0.575	S	S	.	*	S	Bend	trans	103.2	174	173.1	0	0	0	0	0	115.6	S27 R165	S27-G163 PolarHBondContact N-O 3.22Å; G163-R165 PolarHBondContact O-N 3.39Å
164	R	55.1	Low	55.6	Low	156 Å²	156	96.9 Å²	96.9	59%	0.589	60%	0.602	S	S	*	*	B	Isolated β-bridge	trans	-71.8	117.2	170.1	-82.4	-170.7	-170.5	-113.9	6.1	109.2	S27 S166	S27-R164 WeakPolarHBondContact OG-CG 3.27Å; R164-S166 PolarHBondContact O-N 2.86Å
165	R	56.3	Low	52.8	Low	72 Å²	72	94.9 Å²	94.9	27%	0.272	61%	0.609	S	S	.	*			trans	-75.7	60.1	166.8	-62.4	-158	-157.3	-136.6	16.7	111.3	Y28 V140 Q144 D148 G163	Y28-R165 HydrophobicContact CE1-CB 4.05Å; Y28-R165 HydrophobicContact CE1-CG 3.89Å; Y28-R165 PolarHBondContact OH-NE 3.02Å; Y28-R165 VanDerWaalsContact OH-NE 3.09Å; V140-R165 HydrophobicContact CG2-CB 3.64Å; V140-R165 WeakPolarHBondContact CG2-O 3.44Å; Q144-R165 VanDerWaalsContact NE2-NH2 3.17Å; D148-R165 IonicContact OD1-NH2 3.17Å; D148-R165 PolarHBondContact OD1-NH2 3.49Å; D148-R165 IonicContact OD2-CZ 3.62Å; D148-R165 IonicContact OD2-NE 2.77Å; D148-R165 IonicContact OD2-NH2 3.91Å; D148-R165 PolarHBondContact OD2-NH2 2.85Å; G163-R165 PolarHBondContact O-N 3.39Å
166	S	40.2	Very low	50.3	Low	68 Å²	68	98.9 Å²	98.9	48%	0.476	63%	0.625	S	S	.	*			trans	-76.1	134	165.7	-174.3	0	0	0	0	108.7	Q139 R164 G168	Q139-S166 PolarHBondContact NE2-OG 3.16Å; Q139-S166 PolarHBondContact OE1-OG 3.15Å; R164-S166 PolarHBondContact O-N 2.86Å; S166-G168 PolarHBondContact O-N 2.61Å
167	G	32.5	Very low	47.9	Very low	66 Å²	66	96.2 Å²	96.2	68%	0.68	63%	0.631	S	S	*	*			trans	-72.2	42.8	-168.5	0	0	0	0	0	116.6	S169	G167-S169 PolarHBondContact O-N 2.64Å
168	G	27.8	Very low	45.7	Very low	66 Å²	66	102.4 Å²	102.4	68%	0.68	66%	0.661	S	S	*	*			trans	-84.7	91.4	173.8	0	0	0	0	0	112	S166 G170	S166-G168 PolarHBondContact O-N 2.61Å; G168-G170 PolarHBondContact O-N 3Å
169	S	31.3	Very low	43.7	Very low	122 Å²	122	98.1 Å²	98.1	85%	0.853	65%	0.652	S	S	*	*			trans	-63.4	123.4	165.7	-74.6	0	0	0	0	109.3	G167	G167-S169 PolarHBondContact O-N 2.64Å
170	G	29.7	Very low	41.8	Very low	76 Å²	76	101.7 Å²	101.7	78%	0.784	67%	0.668	S	S	*	*			trans	-72.4	154.4	-155.1	0	0	0	0	0	116.4	G168	G168-G170 PolarHBondContact O-N 3Å
171	V	35.6	Very low	39.6	Very low	149 Å²	149	108.7 Å²	108.7	90%	0.903	71%	0.705	S	S	*	*			trans	-124.7	111.6	159.8	178.5	0	0	0	0	108.5
172	G	28.7	Very low	37.9	Very low	83 Å²	83	108.9 Å²	108.9	86%	0.856	72%	0.72	S	S	*	*			trans	60.3	82.2	154.2	0	0	0	0	0	119.2
173	G	31.3	Very low	36.7	Very low	83 Å²	83	115.4 Å²	115.4	86%	0.856	73%	0.734	S	S	*	*			trans	-131.2	104.1	159.4	0	0	0	0	0	110.3
174	M	30.8	Very low	35.9	Very low	186 Å²	186	118 Å²	118	92%	0.916	76%	0.76	S	S	*	*			trans	-76.9	135.1	-171.9	-63.2	166.5	165.4	0	0	112.8
175	T	33.2	Very low	35.1	Very low	131 Å²	131	120.2 Å²	120.2	80%	0.804	78%	0.777	S	S	*	*				179.2	110.6	119.7	38	0	0	0	0	113.7
176	T	32.2	Very low	34	Very low	128 Å²	128	119.3 Å²	119.3	79%	0.785	79%	0.791	S	S	*	*				51.9	97.8	123.7	-42.5	0	0	0	0	121.1
177	S	34.7	Very low	33.8	Very low	108 Å²	108	127.3 Å²	127.3	76%	0.755	81%	0.812	S	S	*	*				-170.9	126	117.9	-83.7	0	0	0	0	114.2
178	Q	36.3	Very low	33.7	Very low	183 Å²	183	130.1 Å²	130.1	86%	0.855	82%	0.821	S	S	*	*			trans	26.9	141.7	137	-52.8	-170.3	-0.5	0	0	120.5
179	V	34.3	Very low	34.1	Very low	125 Å²	125	136.9 Å²	136.9	76%	0.758	83%	0.826	S	S	*	*			cis	176.9	164.6	-5.9	148.9	0	0	0	0	104.3
180	V	37.7	Very low	34.1	Very low	132 Å²	132	136.2 Å²	136.2	80%	0.8	82%	0.821	S	S	*	*			trans	117.5	131	165.9	-179	0	0	0	0	114.2
181	D	33	Very low	34.3	Very low	156 Å²	156	142 Å²	142	83%	0.834	82%	0.821	S	S	*	*			trans	-93.8	166.1	-166.3	-47.8	-91.7	0	0	0	115.1
182	G	37.2	Very low	34.1	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	81%	0.812	S	S	*	*			trans	175.8	58.8	178	0	0	0	0	0	118.4
183	Y	36.6	Very low	34.4	Very low	231 Å²	231	144.2 Å²	144.2	91%	0.906	81%	0.81	S	S	*	*			trans	0.1	125.4	166.5	-67.8	-91.4	0	0	0	121.2
184	G	39	Very low	34.3	Very low	81 Å²	81	150.7 Å²	150.7	84%	0.835	81%	0.809	S	S	*	*			trans	-173.8	118.7	160.2	0	0	0	0	0	112.3
185	H	38.8	Very low	34.6	Very low	203 Å²	203	149.6 Å²	149.6	94%	0.94	81%	0.805	S	S	*	*			trans	-109	151.9	-171.1	-99.5	-40.7	0	0	0	114.1
186	G	34.1	Very low	34.9	Very low	54 Å²	54	149.4 Å²	149.4	56%	0.557	80%	0.804	S	S	*	*			trans	106.7	126.4	168.2	0	0	0	0	0	113.7
187	Y	34.2	Very low	35	Very low	236 Å²	236	148.5 Å²	148.5	93%	0.925	81%	0.809	S	S	*	*			cis	-147.5	134.5	-0.2	-31	-91	0	0	0	108.6
188	S	32.2	Very low	35.1	Very low	124 Å²	124	151.9 Å²	151.9	87%	0.867	81%	0.813	S	S	*	*			trans	-150.9	130.5	169.5	-175	0	0	0	0	109
189	R	35.3	Very low	35.1	Very low	209 Å²	209	151.6 Å²	151.6	79%	0.789	82%	0.817	S	S	*	*			trans	-136.6	88.6	178.8	-157.9	-179	-156.3	-152	7	109.8
190	S	32.3	Very low	35.3	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	82%	0.82	S	S	*	*			trans	-65.7	136.9	166.7	43	0	0	0	0	110.1
191	Y	34	Very low	35.2	Very low	198 Å²	198	155.2 Å²	155.2	78%	0.776	83%	0.827	S	S	*	*			trans	-92.4	112.1	164.8	-86.1	-83	0	0	0	109.1
192	Q	30.6	Very low	35.5	Very low	152 Å²	152	156 Å²	156	71%	0.71	83%	0.828	S	S	*	*			trans	-106.7	124.1	156	-87.2	-157	-18.7	0	0	108.9	R194	Q192-R194 PolarHBondContact O-N 3.12Å; Q192-R194 VanDerWaalsContact O-N 3.11Å
193	P	35.4	Very low	35.4	Very low	126 Å²	126	159.4 Å²	159.4	82%	0.818	83%	0.829	S	S	*	*			trans	-73.7	95.6	162.7	-11.5	28.2	0	0	0	109.4
194	R	29.3	Very low	35.3	Very low	219 Å²	219	154.3 Å²	154.3	83%	0.826	83%	0.827	S	S	*	*			trans	-97.5	107.6	153.3	-80.3	-172.7	177.1	-175.6	-1.7	107.5	Q192	Q192-R194 PolarHBondContact O-N 3.12Å; Q192-R194 VanDerWaalsContact O-N 3.11Å
195	I	37.1	Very low	35.2	Very low	164 Å²	164	156.2 Å²	156.2	84%	0.841	83%	0.828	S	S	*	*			trans	-110.2	129.9	163.8	-60.2	-176.8	0	0	0	107.3
196	T	38.1	Very low	35.4	Very low	127 Å²	127	150.9 Å²	150.9	78%	0.779	82%	0.818	S	S	*	*			trans	-74.5	144.4	-176.7	40.7	0	0	0	0	111.6	E198	T196-E198 PolarHBondContact O-N 3.03Å
197	A	34.6	Very low	35.4	Very low	109 Å²	109	158.5 Å²	158.5	90%	0.901	83%	0.832	S	S	*	*			trans	-76.2	119.4	169.5	0	0	0	0	0	110.5
198	E	36.9	Very low	35.6	Very low	179 Å²	179	158.8 Å²	158.8	84%	0.836	83%	0.831	S	S	*	*			trans	-133	162.7	155.6	70.7	172.5	-157.8	0	0	110.8	T196	T196-E198 PolarHBondContact O-N 3.03Å
199	N	37.5	Very low	35.8	Very low	176 Å²	176	160.3 Å²	160.3	94%	0.941	83%	0.83	S	S	*	*			trans	-94.7	112.6	-158.3	-62.2	-76.1	0	0	0	112.7
200	G	37.3	Very low	36.3	Very low	79 Å²	79	157.3 Å²	157.3	81%	0.814	83%	0.828	S	S	*	*			trans	-129.5	93.1	175.2	0	0	0	0	0	113.2
201	R	36.3	Very low	36.6	Very low	254 Å²	254	158.5 Å²	158.5	96%	0.958	83%	0.826	S	S	*	*			trans	-81.9	121.9	169	-71.7	177.7	174.2	175.2	-2.5	110.1
202	M	38.1	Very low	36.9	Very low	173 Å²	173	158.4 Å²	158.4	85%	0.852	83%	0.833	S	S	*	*			trans	-165	148.6	141.5	-114.4	171.7	-175	0	0	114.4
203	N	36.1	Very low	37.5	Very low	147 Å²	147	160.1 Å²	160.1	79%	0.786	84%	0.837	S	S	*	*			trans	48.6	90.8	160	-62.4	5.3	0	0	0	119.6
204	S	35.5	Very low	37.6	Very low	124 Å²	124	158.3 Å²	158.3	87%	0.867	83%	0.828	S	S	*	*			trans	-69	173.8	143.7	-176.9	0	0	0	0	111.1
205	S	36.4	Very low	38.2	Very low	121 Å²	121	153.3 Å²	153.3	85%	0.846	82%	0.822	S	S	*	*			trans	87.7	67.4	173.7	-154.4	0	0	0	0	117.6
206	A	41.6	Very low	38.3	Very low	90 Å²	90	154.7 Å²	154.7	74%	0.744	82%	0.822	S	S	*	*			trans	-144.1	155.9	144.6	0	0	0	0	0	108.4
207	Y	35.4	Very low	38.9	Very low	215 Å²	215	152.5 Å²	152.5	84%	0.843	81%	0.812	S	S	*	*			trans	56.8	67.1	-177	-77.7	-86.2	0	0	0	116.3
208	R	37.2	Very low	39.6	Very low	241 Å²	241	154.8 Å²	154.8	91%	0.909	80%	0.804	S	S	*	*			trans	-110.7	111.4	131.4	-80.9	-170	173	-162.5	-1.4	107.4
209	D	37.3	Very low	40.6	Very low	157 Å²	157	148.9 Å²	148.9	84%	0.84	78%	0.783	S	S	*	*			trans	164.6	82.1	152	-86.4	-15.7	0	0	0	109.6
210	I	44.7	Very low	42	Very low	146 Å²	146	144.1 Å²	144.1	75%	0.749	76%	0.763	S	S	*	*	S	Bend	trans	-139.4	136.2	160	-60.5	-176	0	0	0	106.2	Q212	I210-Q212 PolarHBondContact O-N 3.21Å
211	D	38.4	Very low	43.8	Very low	132 Å²	132	144 Å²	144	71%	0.706	75%	0.746	S	S	*	*			trans	-58.2	127	-163.4	-74.9	-77.4	0	0	0	116.1	K213	D211-K213 HydrophobicContact CB-CB 4.45Å; D211-K213 PolarHBondContact O-N 3.38Å
212	Q	41.4	Very low	45.6	Very low	196 Å²	196	138.6 Å²	138.6	92%	0.916	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	52.5	169.8	-64.3	-174.2	-10.8	0	0	112.1	I210	I210-Q212 PolarHBondContact O-N 3.21Å
213	K	42	Very low	47.5	Very low	187 Å²	187	135.3 Å²	135.3	81%	0.813	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	-4.4	-175	-152.7	173.1	179.9	-178.6	0	115.5	D211	D211-K213 HydrophobicContact CB-CB 4.45Å; D211-K213 PolarHBondContact O-N 3.38Å
214	S	39	Very low	49.7	Very low	89 Å²	89	131.4 Å²	131.4	62%	0.622	69%	0.689	S	S	*	*			trans	-101.4	-11.3	-177.8	50.5	0	0	0	0	115.1	F216 S217	S214-F216 PolarHBondContact O-N 3.42Å; S214-S217 PolarHBondContact O-N 2.82Å
215	T	40.6	Very low	52	Low	114 Å²	114	131.5 Å²	131.5	70%	0.699	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	16.4	-166.8	-20.3	0	0	0	0	116.3
216	F	40.3	Very low	54.5	Low	193 Å²	193	129.7 Å²	129.7	85%	0.846	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-1.6	177.9	-96.2	-88.3	0	0	0	113.9	S214	S214-F216 PolarHBondContact O-N 3.42Å
217	S	51.2	Low	56.7	Low	81 Å²	81	125.5 Å²	125.5	57%	0.566	62%	0.616	S	S	*	*	S	Bend	trans	-97	-38.3	-170.3	-163.1	0	0	0	0	115.8	S214	S214-S217 PolarHBondContact O-N 2.82Å
218	E	49.2	Very low	59.2	Low	156 Å²	156	116.1 Å²	116.1	73%	0.729	58%	0.581	S	S	*	*	H	α-helix	trans	-70.6	-45.7	-166.6	-67.1	176.7	136.9	0	0	112.9	S220 V221 E222	E218-S220 PolarHBondContact O-N 3.07Å; E218-S220 VanDerWaalsContact O-N 3.12Å; E218-V221 WeakPolarHBondContact O-CB 3.39Å; E218-V221 PolarHBondContact O-N 2.9Å; E218-E222 PolarHBondContact O-N 2.96Å
219	S	57	Low	61.7	Low	55 Å²	55	108 Å²	108	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-58.6	-29.4	-179.6	57.5	0	0	0	0	113.6	V221 E222 F223	S219-V221 VanDerWaalsContact C-N 3.27Å; S219-V221 PolarHBondContact O-N 2.85Å; S219-E222 PolarHBondContact O-N 3.33Å; S219-F223 WeakPolarHBondContact O-CD2 3.38Å; S219-F223 PolarHBondContact O-N 2.85Å; S219-F223 VanDerWaalsContact O-N 3.1Å
220	S	67.4	Low	64.2	Low	76 Å²	76	100.5 Å²	100.5	53%	0.531	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-28.6	176.7	-64.3	0	0	0	0	112.8	E218 F224	E218-S220 PolarHBondContact O-N 3.07Å; E218-S220 VanDerWaalsContact O-N 3.12Å; S220-F224 WeakPolarHBondContact O-CB 3.42Å; S220-F224 PolarHBondContact O-N 2.69Å
221	V	74.1	Confident	66.5	Low	77 Å²	77	93.6 Å²	93.6	47%	0.467	48%	0.48	S	S	.	.	H	α-helix	trans	-76	-45.5	176.3	-174.2	0	0	0	0	110.2	E218 S219 F223 F224 E225	E218-V221 WeakPolarHBondContact O-CB 3.39Å; E218-V221 PolarHBondContact O-N 2.9Å; S219-V221 VanDerWaalsContact C-N 3.27Å; S219-V221 PolarHBondContact O-N 2.85Å; V221-F223 VanDerWaalsContact C-N 3.33Å; V221-F223 PolarHBondContact O-N 3.32Å; V221-F224 WeakPolarHBondContact O-CB 3.46Å; V221-F224 PolarHBondContact O-N 3.15Å; V221-E225 HydrophobicContact CG1-CG 4.41Å; V221-E225 PolarHBondContact O-N 2.71Å
222	E	75.3	Confident	68.9	Low	141 Å²	141	88.1 Å²	88.1	66%	0.659	45%	0.451	S	S	*	.	H	α-helix	trans	-58	-43.5	176.7	-62.5	-173.1	148.1	0	0	112.3	E218 S219 F224 R226	E218-E222 PolarHBondContact O-N 2.96Å; S219-E222 PolarHBondContact O-N 3.33Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 2.79Å; E222-R226 WeakPolarHBondContact O-CB 3.41Å; E222-R226 PolarHBondContact O-N 2.85Å
223	F	77.5	Confident	71.2	Confident	104 Å²	104	82.3 Å²	82.3	46%	0.456	42%	0.421	S	S	.	.	H	α-helix	trans	-63.7	-38.1	175.1	-74.6	-57.5	0	0	0	112.3	S219 V221 D227	S219-F223 WeakPolarHBondContact O-CD2 3.38Å; S219-F223 PolarHBondContact O-N 2.85Å; S219-F223 VanDerWaalsContact O-N 3.1Å; V221-F223 VanDerWaalsContact C-N 3.33Å; V221-F223 PolarHBondContact O-N 3.32Å; F223-D227 WeakPolarHBondContact O-CB 3.25Å; F223-D227 VanDerWaalsContact O-CG 3.3Å; F223-D227 PolarHBondContact O-N 2.86Å
224	F	82.8	Confident	73.6	Confident	64 Å²	64	73.4 Å²	73.4	28%	0.281	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-50.9	177.5	174.7	-99.4	0	0	0	112.1	S220 V221 E222 R226 D227 V228 L314 H317	S220-F224 WeakPolarHBondContact O-CB 3.42Å; S220-F224 PolarHBondContact O-N 2.69Å; V221-F224 WeakPolarHBondContact O-CB 3.46Å; V221-F224 PolarHBondContact O-N 3.15Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 2.79Å; F224-R226 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 2.87Å; F224-D227 PolarHBondContact O-N 3.24Å; F224-V228 HydrophobicContact CD1-CG2 4.32Å; F224-V228 HydrophobicContact CD2-CG2 4.38Å; F224-V228 HydrophobicContact CE1-CG2 3.85Å; F224-V228 HydrophobicContact CE2-CG2 3.89Å; F224-V228 HydrophobicContact CZ-CG2 3.6Å; F224-V228 WeakPolarHBondContact O-CB 3.22Å; F224-V228 VanDerWaalsContact O-CG2 3.31Å; F224-V228 WeakPolarHBondContact O-CG2 2.87Å; F224-V228 PolarHBondContact O-N 3.28Å; F224-L314 HydrophobicContact CD2-CD2 3.43Å; F224-L314 VanDerWaalsContact CD2-CD2 3.43Å; F224-L314 HydrophobicContact CE2-CD2 3.4Å; F224-L314 HydrophobicContact CZ-CD2 4.48Å; F224-H317 HydrophobicContact CD2-CB 4.39Å; F224-H317 HydrophobicContact CE2-CB 3.31Å; F224-H317 AromaticContact CE2-CD2 3.93Å; F224-H317 AromaticContact CE2-CG 3.55Å; F224-H317 HydrophobicContact CZ-CB 3.5Å; F224-H317 VanDerWaalsContact CZ-CB 3.5Å
225	E	83.9	Confident	76.1	Confident	126 Å²	126	70.6 Å²	70.6	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-61.6	-39.1	178.7	-68.9	-173.1	171.5	0	0	112.1	V221 V228 N229	V221-E225 HydrophobicContact CG1-CG 4.41Å; V221-E225 PolarHBondContact O-N 2.71Å; E225-V228 PolarHBondContact O-N 3.42Å; E225-N229 WeakPolarHBondContact O-CB 3.34Å; E225-N229 PolarHBondContact O-N 3.1Å
226	R	87.1	Confident	78.4	Confident	83 Å²	83	66.3 Å²	66.3	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175	173.6	170.5	161.5	178.5	-5.9	112.9	E222 F224 T230 P410	E222-R226 WeakPolarHBondContact O-CB 3.41Å; E222-R226 PolarHBondContact O-N 2.85Å; F224-R226 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 2.87Å; R226-T230 WeakPolarHBondContact O-CB 3.48Å; R226-T230 PolarHBondContact O-N 3.46Å; R226-T230 PolarHBondContact O-OG1 3.31Å; R226-P410 HydrophobicContact CG-CB 4.4Å; R226-P410 PolarHBondContact NE-O 3.27Å; R226-P410 PolarHBondContact NH2-O 2.71Å
227	D	89.4	Confident	80.9	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-41.5	173.9	-77.7	-30.9	0	0	0	111.8	F223 F224 T230 L231 L310 K313 L314 Y411	F223-D227 WeakPolarHBondContact O-CB 3.25Å; F223-D227 VanDerWaalsContact O-CG 3.3Å; F223-D227 PolarHBondContact O-N 2.86Å; F224-D227 PolarHBondContact O-N 3.24Å; D227-T230 PolarHBondContact O-N 3.35Å; D227-L231 WeakPolarHBondContact O-CB 3.41Å; D227-L231 PolarHBondContact O-N 2.74Å; D227-L310 HydrophobicContact CB-CD2 3.83Å; D227-L310 WeakPolarHBondContact OD1-CD2 3.46Å; D227-K313 IonicContact OD1-NZ 3.41Å; D227-K313 VanDerWaalsContact OD2-CD 3.27Å; D227-K313 WeakPolarHBondContact OD2-CD 3.15Å; D227-K313 WeakPolarHBondContact OD2-CE 3.46Å; D227-K313 IonicContact OD2-NZ 3.26Å; D227-K313 PolarHBondContact OD2-NZ 3.17Å; D227-L314 HydrophobicContact CB-CD1 4.14Å; D227-L314 HydrophobicContact CB-CD2 3.87Å; D227-L314 HydrophobicContact CB-CG 4.36Å; D227-Y411 PolarHBondContact OD1-OH 2.94Å; D227-Y411 VanDerWaalsContact OD1-OH 3.12Å
228	V	88	Confident	82.8	Confident	17 Å²	17	54 Å²	54	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-41.7	176.6	165.8	0	0	0	0	111.8	F224 E225 N232 L314 F744	F224-V228 HydrophobicContact CD1-CG2 4.32Å; F224-V228 HydrophobicContact CD2-CG2 4.38Å; F224-V228 HydrophobicContact CE1-CG2 3.85Å; F224-V228 HydrophobicContact CE2-CG2 3.89Å; F224-V228 HydrophobicContact CZ-CG2 3.6Å; F224-V228 WeakPolarHBondContact O-CB 3.22Å; F224-V228 VanDerWaalsContact O-CG2 3.31Å; F224-V228 WeakPolarHBondContact O-CG2 2.87Å; F224-V228 PolarHBondContact O-N 3.28Å; E225-V228 PolarHBondContact O-N 3.42Å; V228-N232 PolarHBondContact O-N 2.73Å; V228-N232 VanDerWaalsContact O-N 3.12Å; V228-N232 PolarHBondContact O-ND2 3.19Å; V228-L314 HydrophobicContact CG2-CD1 4.03Å; V228-L314 HydrophobicContact CG2-CD2 4.03Å; V228-F744 HydrophobicContact CG1-CE2 3.59Å; V228-F744 HydrophobicContact CG1-CZ 3.81Å
229	N	88.6	Confident	84.6	Confident	71 Å²	71	48.6 Å²	48.6	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-66	-45.2	173.6	-172.1	18	0	0	0	111.1	E225 L231 N232 R233	E225-N229 WeakPolarHBondContact O-CB 3.34Å; E225-N229 PolarHBondContact O-N 3.1Å; N229-L231 VanDerWaalsContact C-N 3.33Å; N229-L231 PolarHBondContact O-N 3.33Å; N229-N232 WeakPolarHBondContact O-CB 3.31Å; N229-N232 PolarHBondContact O-N 2.82Å; N229-N232 VanDerWaalsContact O-N 3.16Å; N229-R233 WeakPolarHBondContact O-CG 3.26Å; N229-R233 PolarHBondContact O-N 2.99Å
230	T	90.7	Very high	86	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-44	175.9	-57.6	0	0	0	0	111.7	R226 D227 N232 R233 C234 L306 L310 F404 P410	R226-T230 WeakPolarHBondContact O-CB 3.48Å; R226-T230 PolarHBondContact O-N 3.46Å; R226-T230 PolarHBondContact O-OG1 3.31Å; D227-T230 PolarHBondContact O-N 3.35Å; T230-N232 PolarHBondContact O-N 3.45Å; T230-R233 PolarHBondContact O-N 3.36Å; T230-C234 PolarHBondContact O-N 2.89Å; T230-C234 PolarHBondContact O-SG 3.42Å; T230-C234 VanDerWaalsContact O-SG 3.36Å; T230-L306 HydrophobicContact CG2-CD2 3.94Å; T230-L310 HydrophobicContact CG2-CD1 3.75Å; T230-F404 HydrophobicContact CG2-CE2 3.98Å; T230-F404 HydrophobicContact CG2-CZ 3.78Å; T230-P410 HydrophobicContact CG2-CG 3.89Å; T230-P410 WeakPolarHBondContact OG1-CB 3.3Å
231	L	91.5	Very high	87.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-42.8	176.7	178.5	62.8	0	0	0	111.6	D227 N229 R233 C234 F235 C307 L310 L311 L314 I318	D227-L231 WeakPolarHBondContact O-CB 3.41Å; D227-L231 PolarHBondContact O-N 2.74Å; N229-L231 VanDerWaalsContact C-N 3.33Å; N229-L231 PolarHBondContact O-N 3.33Å; L231-R233 PolarHBondContact O-N 3.37Å; L231-C234 WeakPolarHBondContact O-CB 3.42Å; L231-C234 PolarHBondContact O-N 3.45Å; L231-F235 HydrophobicContact CD1-CD2 4.45Å; L231-F235 HydrophobicContact CD1-CE1 4.46Å; L231-F235 HydrophobicContact CD1-CE2 3.75Å; L231-F235 HydrophobicContact CD1-CZ 3.73Å; L231-F235 HydrophobicContact CD2-CE2 4.07Å; L231-F235 HydrophobicContact CD2-CZ 4.46Å; L231-F235 HydrophobicContact CG-CD2 4.2Å; L231-F235 HydrophobicContact CG-CE2 3.55Å; L231-F235 HydrophobicContact CG-CZ 4.04Å; L231-F235 VanDerWaalsContact O-CD2 3.28Å; L231-F235 WeakPolarHBondContact O-CD2 3.27Å; L231-F235 PolarHBondContact O-N 2.87Å; L231-F235 VanDerWaalsContact O-N 3.07Å; L231-C307 HydrophobicContact CD1-CB 4.24Å; L231-L310 HydrophobicContact CB-CB 4.36Å; L231-L310 HydrophobicContact CB-CD1 3.99Å; L231-L310 HydrophobicContact CD1-CB 4.24Å; L231-L311 HydrophobicContact CD1-CD2 4.31Å; L231-L311 HydrophobicContact CD1-CG 4.27Å; L231-L311 HydrophobicContact CD2-CD2 3.79Å; L231-L311 HydrophobicContact CD2-CG 4.49Å; L231-L314 HydrophobicContact CB-CD1 4.48Å; L231-L314 HydrophobicContact CD2-CD1 3.96Å; L231-I318 HydrophobicContact CD2-CD1 3.88Å
232	N	89.9	Confident	87.7	Confident	18 Å²	18	45.2 Å²	45.2	10%	0.096	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-43.2	174.6	-85.6	-62.5	0	0	0	112.6	V228 N229 T230 C234 F235 D236 F744	V228-N232 PolarHBondContact O-N 2.73Å; V228-N232 VanDerWaalsContact O-N 3.12Å; V228-N232 PolarHBondContact O-ND2 3.19Å; N229-N232 WeakPolarHBondContact O-CB 3.31Å; N229-N232 PolarHBondContact O-N 2.82Å; N229-N232 VanDerWaalsContact O-N 3.16Å; T230-N232 PolarHBondContact O-N 3.45Å; N232-C234 VanDerWaalsContact C-N 3.35Å; N232-F235 PolarHBondContact O-N 3.18Å; N232-D236 PolarHBondContact O-N 2.89Å; N232-F744 WeakPolarHBondContact ND2-CE2 3.37Å; N232-F744 WeakPolarHBondContact ND2-CZ 3.35Å; N232-F744 WeakPolarHBondContact OD1-CE1 3.45Å
233	R	90.2	Very high	88.1	Confident	74 Å²	74	39.7 Å²	39.7	28%	0.279	18%	0.18	S	C	.	.	H	α-helix	trans	-65	-34.9	175.5	-64.8	-72.7	84.5	148.1	5.6	112.7	N229 T230 L231 D236 D237 F404 D406 Y408	N229-R233 WeakPolarHBondContact O-CG 3.26Å; N229-R233 PolarHBondContact O-N 2.99Å; T230-R233 PolarHBondContact O-N 3.36Å; L231-R233 PolarHBondContact O-N 3.37Å; R233-D236 IonicContact CZ-OD2 3.58Å; R233-D236 VanDerWaalsContact CZ-OD2 3.31Å; R233-D236 IonicContact NE-OD2 3.15Å; R233-D236 PolarHBondContact NE-OD2 2.83Å; R233-D236 VanDerWaalsContact NE-OD2 3.15Å; R233-D236 IonicContact NH2-OD1 2.64Å; R233-D236 IonicContact NH2-OD2 2.69Å; R233-D236 PolarHBondContact NH2-OD2 3.2Å; R233-D236 PolarHBondContact O-N 2.99Å; R233-D237 PolarHBondContact O-N 2.83Å; R233-F404 HydrophobicContact CB-CB 4.37Å; R233-F404 HydrophobicContact CB-CD1 3.59Å; R233-F404 HydrophobicContact CB-CD2 4Å; R233-F404 HydrophobicContact CB-CE1 3.79Å; R233-F404 HydrophobicContact CB-CE2 4.17Å; R233-F404 HydrophobicContact CB-CG 3.7Å; R233-F404 HydrophobicContact CB-CZ 4.07Å; R233-D406 WeakPolarHBondContact CD-OD2 3.3Å; R233-D406 IonicContact CZ-OD2 3.23Å; R233-D406 IonicContact NE-OD2 2.74Å; R233-D406 IonicContact NH1-OD2 3.42Å; R233-D406 PolarHBondContact NH1-OD2 2.7Å; R233-Y408 HydrophobicContact CG-CD1 3.97Å
234	C	92.7	Very high	88.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44.1	169.7	-65.3	0	0	0	0	111.9	T230 L231 N232 D237 I238 C307 F404	T230-C234 PolarHBondContact O-N 2.89Å; T230-C234 PolarHBondContact O-SG 3.42Å; T230-C234 VanDerWaalsContact O-SG 3.36Å; L231-C234 WeakPolarHBondContact O-CB 3.42Å; L231-C234 PolarHBondContact O-N 3.45Å; N232-C234 VanDerWaalsContact C-N 3.35Å; C234-D237 PolarHBondContact O-N 2.87Å; C234-I238 WeakPolarHBondContact O-CB 3.14Å; C234-I238 WeakPolarHBondContact O-CD1 3.26Å; C234-I238 VanDerWaalsContact O-CG1 3.22Å; C234-I238 WeakPolarHBondContact O-CG1 3.43Å; C234-I238 PolarHBondContact O-N 2.85Å; C234-C307 WeakPolarHBondContact CB-SG 3.47Å; C234-F404 HydrophobicContact CB-CE1 4.26Å; C234-F404 VanDerWaalsContact SG-CE1 3.54Å
235	F	91.5	Very high	88.7	Confident	29 Å²	29	34.6 Å²	34.6	13%	0.127	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-42.4	176.1	-65.6	-51	0	0	0	112.2	L231 N232 D237 I238 E239 L326 L330	L231-F235 HydrophobicContact CD1-CD2 4.45Å; L231-F235 HydrophobicContact CD1-CE1 4.46Å; L231-F235 HydrophobicContact CD1-CE2 3.75Å; L231-F235 HydrophobicContact CD1-CZ 3.73Å; L231-F235 HydrophobicContact CD2-CE2 4.07Å; L231-F235 HydrophobicContact CD2-CZ 4.46Å; L231-F235 HydrophobicContact CG-CD2 4.2Å; L231-F235 HydrophobicContact CG-CE2 3.55Å; L231-F235 HydrophobicContact CG-CZ 4.04Å; L231-F235 VanDerWaalsContact O-CD2 3.28Å; L231-F235 WeakPolarHBondContact O-CD2 3.27Å; L231-F235 PolarHBondContact O-N 2.87Å; L231-F235 VanDerWaalsContact O-N 3.07Å; N232-F235 PolarHBondContact O-N 3.18Å; F235-D237 VanDerWaalsContact C-N 3.35Å; F235-D237 PolarHBondContact O-N 2.87Å; F235-I238 PolarHBondContact O-N 2.88Å; F235-E239 WeakPolarHBondContact O-CB 3.36Å; F235-E239 PolarHBondContact O-N 2.85Å; F235-L326 HydrophobicContact CE2-CD2 4.06Å; F235-L326 HydrophobicContact CZ-CD2 3.75Å; F235-L330 HydrophobicContact CD1-CD2 4.12Å; F235-L330 HydrophobicContact CE1-CD1 4.14Å; F235-L330 HydrophobicContact CE1-CD2 3.76Å; F235-L330 HydrophobicContact CE1-CG 3.95Å
236	D	88.7	Confident	88.6	Confident	24 Å²	24	29.8 Å²	29.8	13%	0.128	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-45.4	174.8	-77.1	-64.6	0	0	0	112.5	N232 R233 R240 K747	N232-D236 PolarHBondContact O-N 2.89Å; R233-D236 IonicContact CZ-OD2 3.58Å; R233-D236 VanDerWaalsContact CZ-OD2 3.31Å; R233-D236 IonicContact NE-OD2 3.15Å; R233-D236 PolarHBondContact NE-OD2 2.83Å; R233-D236 VanDerWaalsContact NE-OD2 3.15Å; R233-D236 IonicContact NH2-OD1 2.64Å; R233-D236 IonicContact NH2-OD2 2.69Å; R233-D236 PolarHBondContact NH2-OD2 3.2Å; R233-D236 PolarHBondContact O-N 2.99Å; D236-R240 VanDerWaalsContact O-CB 3.25Å; D236-R240 WeakPolarHBondContact O-CB 3.41Å; D236-R240 PolarHBondContact O-N 2.97Å; D236-R240 PolarHBondContact O-NH1 2.79Å; D236-K747 WeakPolarHBondContact OD1-CE 3.4Å; D236-K747 IonicContact OD1-NZ 2.71Å; D236-K747 PolarHBondContact OD1-NZ 3.05Å; D236-K747 IonicContact OD2-NZ 3.21Å; D236-K747 PolarHBondContact OD2-NZ 2.81Å
237	D	92.4	Very high	88.3	Confident	13 Å²	13	26.1 Å²	26.1	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-70.8	-38.6	179	-82.8	6.9	0	0	0	112	R233 C234 F235 R240 F241 I300 K303 F404 A405	R233-D237 PolarHBondContact O-N 2.83Å; C234-D237 PolarHBondContact O-N 2.87Å; F235-D237 VanDerWaalsContact C-N 3.35Å; F235-D237 PolarHBondContact O-N 2.87Å; D237-R240 PolarHBondContact O-N 2.91Å; D237-R240 IonicContact OD1-NH1 3.74Å; D237-R240 PolarHBondContact OD1-NH1 2.83Å; D237-F241 VanDerWaalsContact O-CB 3.22Å; D237-F241 WeakPolarHBondContact O-CB 3.48Å; D237-F241 PolarHBondContact O-N 3.49Å; D237-I300 HydrophobicContact CB-CD1 4.03Å; D237-K303 HydrophobicContact CB-CD 4.15Å; D237-K303 IonicContact OD2-NZ 2.74Å; D237-K303 PolarHBondContact OD2-NZ 3.19Å; D237-F404 WeakPolarHBondContact OD2-CA 3.43Å; D237-A405 WeakPolarHBondContact OD1-CB 3.28Å; D237-A405 PolarHBondContact OD1-N 2.79Å; D237-A405 PolarHBondContact OD2-N 2.68Å; D237-A405 VanDerWaalsContact OD2-N 3.12Å
238	I	91.9	Very high	88.2	Confident	3 Å²	3	26 Å²	26	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-46	176.8	-71.4	165.1	0	0	0	110.9	C234 F235 F241 V242 I300 F304 L330 P333	C234-I238 WeakPolarHBondContact O-CB 3.14Å; C234-I238 WeakPolarHBondContact O-CD1 3.26Å; C234-I238 VanDerWaalsContact O-CG1 3.22Å; C234-I238 WeakPolarHBondContact O-CG1 3.43Å; C234-I238 PolarHBondContact O-N 2.85Å; F235-I238 PolarHBondContact O-N 2.88Å; I238-F241 PolarHBondContact O-N 2.87Å; I238-V242 WeakPolarHBondContact O-CG2 3.4Å; I238-V242 PolarHBondContact O-N 3.44Å; I238-I300 HydrophobicContact CG1-CD1 3.88Å; I238-I300 HydrophobicContact CG1-CG1 4.11Å; I238-F304 HydrophobicContact CB-CZ 4.43Å; I238-F304 HydrophobicContact CD1-CD1 4.06Å; I238-F304 HydrophobicContact CD1-CD2 4.22Å; I238-F304 HydrophobicContact CD1-CE1 3.89Å; I238-F304 HydrophobicContact CD1-CE2 4.04Å; I238-F304 HydrophobicContact CD1-CG 4.21Å; I238-F304 HydrophobicContact CD1-CZ 3.89Å; I238-F304 HydrophobicContact CG1-CD2 4.38Å; I238-F304 HydrophobicContact CG1-CE1 4.48Å; I238-F304 HydrophobicContact CG1-CE2 3.9Å; I238-F304 HydrophobicContact CG1-CZ 3.97Å; I238-F304 HydrophobicContact CG2-CE1 4.22Å; I238-F304 HydrophobicContact CG2-CE2 4.17Å; I238-F304 HydrophobicContact CG2-CZ 3.56Å; I238-L330 HydrophobicContact CD1-CD2 3.83Å; I238-P333 HydrophobicContact CG2-CB 3.95Å; I238-P333 HydrophobicContact CG2-CG 4.08Å
239	E	86.7	Confident	88	Confident	43 Å²	43	25.3 Å²	25.3	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-48.7	176.5	-175	173.5	-170.4	0	0	111.1	F235 F241 V242 A243 F751	F235-E239 WeakPolarHBondContact O-CB 3.36Å; F235-E239 PolarHBondContact O-N 2.85Å; E239-F241 VanDerWaalsContact C-N 3.29Å; E239-F241 PolarHBondContact O-N 3.03Å; E239-V242 PolarHBondContact O-N 2.77Å; E239-A243 WeakPolarHBondContact O-CB 3.37Å; E239-A243 PolarHBondContact O-N 3.46Å; E239-F751 HydrophobicContact CB-CE2 4.02Å; E239-F751 HydrophobicContact CB-CZ 4.29Å; E239-F751 HydrophobicContact CG-CE2 3.9Å; E239-F751 HydrophobicContact CG-CZ 4.42Å
240	R	85.1	Confident	87.7	Confident	122 Å²	122	25.2 Å²	25.2	46%	0.46	12%	0.115	S	C	.	.	H	α-helix	trans	-59.6	-37.9	176.2	-173.3	-180	-62.9	102.9	5.8	112.5	D236 D237 R244	D236-R240 VanDerWaalsContact O-CB 3.25Å; D236-R240 WeakPolarHBondContact O-CB 3.41Å; D236-R240 PolarHBondContact O-N 2.97Å; D236-R240 PolarHBondContact O-NH1 2.79Å; D237-R240 PolarHBondContact O-N 2.91Å; D237-R240 IonicContact OD1-NH1 3.74Å; D237-R240 PolarHBondContact OD1-NH1 2.83Å; R240-R244 WeakPolarHBondContact O-CB 3.31Å; R240-R244 PolarHBondContact O-N 3.27Å
241	F	90.8	Very high	87.3	Confident	9 Å²	9	25.2 Å²	25.2	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-71.7	-43.5	179.6	-165.9	-88.3	0	0	0	112.4	D237 I238 E239 R244 I245 P292 E296 F297 I300 I337	D237-F241 VanDerWaalsContact O-CB 3.22Å; D237-F241 WeakPolarHBondContact O-CB 3.48Å; D237-F241 PolarHBondContact O-N 3.49Å; I238-F241 PolarHBondContact O-N 2.87Å; E239-F241 VanDerWaalsContact C-N 3.29Å; E239-F241 PolarHBondContact O-N 3.03Å; F241-R244 PolarHBondContact O-N 3.37Å; F241-I245 HydrophobicContact CD1-CD1 3.77Å; F241-I245 HydrophobicContact CD1-CG1 4.41Å; F241-I245 HydrophobicContact CE1-CD1 3.55Å; F241-I245 HydrophobicContact CE1-CG1 4.25Å; F241-I245 PolarHBondContact O-N 3Å; F241-P292 HydrophobicContact CD2-CG 4.4Å; F241-P292 HydrophobicContact CE1-CG 4.22Å; F241-P292 HydrophobicContact CE2-CB 3.54Å; F241-P292 HydrophobicContact CE2-CG 3.73Å; F241-P292 HydrophobicContact CZ-CB 3.57Å; F241-P292 HydrophobicContact CZ-CG 3.63Å; F241-E296 HydrophobicContact CE2-CB 3.85Å; F241-E296 WeakPolarHBondContact CE2-O 3.18Å; F241-F297 AromaticContact CE1-CD1 3.67Å; F241-F297 HydrophobicContact CE1-CD1 3.67Å; F241-F297 AromaticContact CE1-CE1 3.64Å; F241-F297 HydrophobicContact CE1-CE1 3.64Å; F241-F297 HydrophobicContact CE1-CG 4.27Å; F241-F297 HydrophobicContact CE1-CZ 4.19Å; F241-F297 HydrophobicContact CZ-CB 4.35Å; F241-F297 AromaticContact CZ-CD1 3.59Å; F241-F297 HydrophobicContact CZ-CD1 3.59Å; F241-F297 HydrophobicContact CZ-CD2 4Å; F241-F297 AromaticContact CZ-CE1 3.86Å; F241-F297 HydrophobicContact CZ-CE1 3.86Å; F241-F297 HydrophobicContact CZ-CE2 4.24Å; F241-F297 AromaticContact CZ-CG 3.7Å; F241-F297 HydrophobicContact CZ-CG 3.7Å; F241-F297 HydrophobicContact CZ-CZ 4.18Å; F241-I300 HydrophobicContact CB-CD1 4Å; F241-I300 HydrophobicContact CB-CG1 3.9Å; F241-I300 HydrophobicContact CD1-CB 4.35Å; F241-I300 HydrophobicContact CD1-CG1 4.13Å; F241-I300 HydrophobicContact CD1-CG2 3.89Å; F241-I300 HydrophobicContact CD2-CB 4.1Å; F241-I300 HydrophobicContact CD2-CG1 4.19Å; F241-I300 HydrophobicContact CD2-CG2 4.28Å; F241-I300 HydrophobicContact CE1-CB 4.48Å; F241-I300 HydrophobicContact CE1-CG2 3.67Å; F241-I300 HydrophobicContact CE2-CB 4.28Å; F241-I300 HydrophobicContact CE2-CG2 4.12Å; F241-I300 HydrophobicContact CG-CB 4.15Å; F241-I300 HydrophobicContact CG-CD1 4.32Å; F241-I300 HydrophobicContact CG-CG1 3.83Å; F241-I300 HydrophobicContact CG-CG2 4.18Å; F241-I300 HydrophobicContact CZ-CB 4.46Å; F241-I300 HydrophobicContact CZ-CG2 3.81Å; F241-I337 HydrophobicContact CD1-CD1 3.71Å; F241-I337 HydrophobicContact CD1-CG1 3.9Å; F241-I337 HydrophobicContact CE1-CD1 4.23Å; F241-I337 HydrophobicContact CE1-CG1 4.07Å; F241-I337 HydrophobicContact CE1-CG2 4.25Å
242	V	88	Confident	87	Confident	6 Å²	6	26.2 Å²	26.2	4%	0.036	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-44.4	173.7	173.4	0	0	0	0	111.2	I238 E239 R244 I245 Q246 P333 I336 I337 F754	I238-V242 WeakPolarHBondContact O-CG2 3.4Å; I238-V242 PolarHBondContact O-N 3.44Å; E239-V242 PolarHBondContact O-N 2.77Å; V242-R244 PolarHBondContact O-N 2.81Å; V242-I245 PolarHBondContact O-N 2.68Å; V242-I245 VanDerWaalsContact O-N 3.15Å; V242-Q246 HydrophobicContact CG1-CG 4.41Å; V242-Q246 WeakPolarHBondContact O-CG 3.48Å; V242-Q246 PolarHBondContact O-N 2.71Å; V242-P333 HydrophobicContact CG2-CB 3.6Å; V242-I336 HydrophobicContact CG1-CG2 4.47Å; V242-I337 HydrophobicContact CG2-CD1 3.86Å; V242-I337 HydrophobicContact CG2-CG1 4.16Å; V242-F754 HydrophobicContact CG1-CE1 4.44Å
243	A	83.8	Confident	86.6	Confident	24 Å²	24	30 Å²	30	20%	0.198	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-36.5	175.7	0	0	0	0	0	112.1	E239 Q246 S247	E239-A243 WeakPolarHBondContact O-CB 3.37Å; E239-A243 PolarHBondContact O-N 3.46Å; A243-Q246 PolarHBondContact O-N 2.88Å; A243-S247 VanDerWaalsContact O-CB 3.23Å; A243-S247 WeakPolarHBondContact O-CB 3.42Å; A243-S247 PolarHBondContact O-N 2.86Å
244	R	84	Confident	86.1	Confident	61 Å²	61	31.4 Å²	31.4	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-41.4	174.2	-176.6	165.9	58.8	162.6	2.6	113	W64 R240 F241 V242 Q246 S247 A248 P292 E296	W64-R244 HydrophobicContact CH2-CG 4.31Å; W64-R244 HydrophobicContact CZ2-CB 4.17Å; W64-R244 HydrophobicContact CZ2-CG 3.63Å; R240-R244 WeakPolarHBondContact O-CB 3.31Å; R240-R244 PolarHBondContact O-N 3.27Å; F241-R244 PolarHBondContact O-N 3.37Å; V242-R244 PolarHBondContact O-N 2.81Å; R244-Q246 VanDerWaalsContact C-N 3.35Å; R244-S247 WeakPolarHBondContact O-CB 3.32Å; R244-S247 PolarHBondContact O-N 3.04Å; R244-A248 WeakPolarHBondContact O-CB 3.34Å; R244-A248 PolarHBondContact O-N 2.92Å; R244-P292 HydrophobicContact CG-CG 4.35Å; R244-E296 IonicContact CZ-OE1 3.64Å; R244-E296 IonicContact NH1-OE1 3.33Å; R244-E296 PolarHBondContact NH1-OE1 2.69Å; R244-E296 IonicContact NH2-OE1 3.83Å; R244-E296 PolarHBondContact NH2-OE1 2.88Å
245	I	87.2	Confident	85.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-44.9	172.9	-70.4	168.8	0	0	0	110.9	F241 V242 A248 A249 L291 P292 F297 I337 A340 L763	F241-I245 HydrophobicContact CD1-CD1 3.77Å; F241-I245 HydrophobicContact CD1-CG1 4.41Å; F241-I245 HydrophobicContact CE1-CD1 3.55Å; F241-I245 HydrophobicContact CE1-CG1 4.25Å; F241-I245 PolarHBondContact O-N 3Å; V242-I245 PolarHBondContact O-N 2.68Å; V242-I245 VanDerWaalsContact O-N 3.15Å; I245-A248 PolarHBondContact O-N 2.88Å; I245-A249 PolarHBondContact O-N 3.42Å; I245-L291 HydrophobicContact CB-CD2 4.39Å; I245-L291 HydrophobicContact CG1-CD2 4.21Å; I245-L291 HydrophobicContact CG2-CD2 4.19Å; I245-P292 HydrophobicContact CG1-CG 4.26Å; I245-F297 HydrophobicContact CD1-CE1 3.87Å; I245-F297 HydrophobicContact CD1-CZ 4Å; I245-F297 HydrophobicContact CG1-CZ 4.31Å; I245-I337 HydrophobicContact CD1-CG1 3.85Å; I245-A340 HydrophobicContact CD1-CB 3.96Å; I245-A340 HydrophobicContact CG2-CB 4.13Å; I245-L763 HydrophobicContact CG2-CD1 4.45Å; I245-L763 HydrophobicContact CG2-CD2 4.37Å
246	Q	83.2	Confident	85	Confident	25 Å²	25	32.3 Å²	32.3	12%	0.117	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-44.8	177.8	-70.1	175.2	-12.3	0	0	111.7	V242 A243 R244 A248 A249 I250 L763	V242-Q246 HydrophobicContact CG1-CG 4.41Å; V242-Q246 WeakPolarHBondContact O-CG 3.48Å; V242-Q246 PolarHBondContact O-N 2.71Å; A243-Q246 PolarHBondContact O-N 2.88Å; R244-Q246 VanDerWaalsContact C-N 3.35Å; Q246-A248 VanDerWaalsContact C-N 3.31Å; Q246-A248 PolarHBondContact O-N 2.87Å; Q246-A249 PolarHBondContact O-N 2.81Å; Q246-I250 VanDerWaalsContact O-CG1 3.28Å; Q246-I250 WeakPolarHBondContact O-CG1 3.42Å; Q246-I250 PolarHBondContact O-N 3.36Å; Q246-L763 HydrophobicContact CG-CD1 4.3Å
247	S	81.4	Confident	84.8	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-53.7	-47.2	174	-178.9	0	0	0	0	111.9	A243 R244 I250 A251 R288	A243-S247 VanDerWaalsContact O-CB 3.23Å; A243-S247 WeakPolarHBondContact O-CB 3.42Å; A243-S247 PolarHBondContact O-N 2.86Å; R244-S247 WeakPolarHBondContact O-CB 3.32Å; R244-S247 PolarHBondContact O-N 3.04Å; S247-I250 PolarHBondContact O-N 3.3Å; S247-A251 WeakPolarHBondContact O-CB 3.34Å; S247-A251 PolarHBondContact O-N 3.33Å; S247-R288 PolarHBondContact OG-NE 3.18Å; S247-R288 PolarHBondContact OG-NH1 2.87Å; S247-R288 PolarHBondContact OG-NH2 3.15Å; S247-R288 VanDerWaalsContact OG-NH2 3.13Å
248	A	85.8	Confident	84.1	Confident	1 Å²	1	36 Å²	36	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-44.2	178.9	0	0	0	0	0	113.1	R244 I245 Q246 I250 A251 Q252 R288 Q290 L291	R244-A248 WeakPolarHBondContact O-CB 3.34Å; R244-A248 PolarHBondContact O-N 2.92Å; I245-A248 PolarHBondContact O-N 2.88Å; Q246-A248 VanDerWaalsContact C-N 3.31Å; Q246-A248 PolarHBondContact O-N 2.87Å; A248-I250 VanDerWaalsContact C-N 3.34Å; A248-I250 PolarHBondContact O-N 2.78Å; A248-A251 PolarHBondContact O-N 2.98Å; A248-Q252 VanDerWaalsContact O-CG 3.3Å; A248-Q252 WeakPolarHBondContact O-CG 3.46Å; A248-Q252 PolarHBondContact O-N 2.92Å; A248-R288 VanDerWaalsContact CA-O 3.22Å; A248-R288 WeakPolarHBondContact CA-O 3.34Å; A248-Q290 WeakPolarHBondContact CB-O 3.43Å; A248-L291 HydrophobicContact CB-CD2 3.9Å
249	A	83.9	Confident	83.5	Confident	2 Å²	2	38 Å²	38	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-38	176.4	0	0	0	0	0	112.6	I245 Q246 Q252 R253 L763 T766	I245-A249 PolarHBondContact O-N 3.42Å; Q246-A249 PolarHBondContact O-N 2.81Å; A249-Q252 PolarHBondContact O-N 3.27Å; A249-R253 PolarHBondContact O-N 3.03Å; A249-L763 HydrophobicContact CB-CD1 3.33Å; A249-T766 HydrophobicContact CB-CG2 4.32Å; A249-T766 WeakPolarHBondContact O-CG2 3.41Å
250	I	82.2	Confident	83.3	Confident	69 Å²	69	42.1 Å²	42.1	35%	0.354	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-46.9	174	-67.6	164.4	0	0	0	110.3	Q246 S247 A248 Q252 R253 E254 L759	Q246-I250 VanDerWaalsContact O-CG1 3.28Å; Q246-I250 WeakPolarHBondContact O-CG1 3.42Å; Q246-I250 PolarHBondContact O-N 3.36Å; S247-I250 PolarHBondContact O-N 3.3Å; A248-I250 VanDerWaalsContact C-N 3.34Å; A248-I250 PolarHBondContact O-N 2.78Å; I250-Q252 VanDerWaalsContact C-N 3.34Å; I250-Q252 PolarHBondContact O-N 3.44Å; I250-R253 WeakPolarHBondContact O-CB 3.34Å; I250-R253 PolarHBondContact O-N 3.16Å; I250-E254 PolarHBondContact O-N 2.84Å; I250-L759 HydrophobicContact CD1-CD1 4Å; I250-L759 HydrophobicContact CD1-CD2 4.29Å; I250-L759 HydrophobicContact CG1-CD2 4.28Å
251	A	83.8	Confident	83.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-34.2	177.7	0	0	0	0	0	113.1	S247 A248 E254 L255 L285 R288 A289	S247-A251 WeakPolarHBondContact O-CB 3.34Å; S247-A251 PolarHBondContact O-N 3.33Å; A248-A251 PolarHBondContact O-N 2.98Å; A251-E254 PolarHBondContact O-N 3.34Å; A251-L255 VanDerWaalsContact O-CB 3.28Å; A251-L255 WeakPolarHBondContact O-CB 3.27Å; A251-L255 PolarHBondContact O-N 2.87Å; A251-L285 HydrophobicContact CB-CD1 3.84Å; A251-R288 HydrophobicContact CB-CB 4.08Å; A251-R288 HydrophobicContact CB-CG 3.76Å; A251-A289 HydrophobicContact CB-CB 3.89Å
252	Q	84.3	Confident	82.2	Confident	21 Å²	21	43.8 Å²	43.8	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-46.2	170.7	-73.8	173.3	15.6	0	0	111.5	A248 A249 I250 E254 L255 E256 A289 S770	A248-Q252 VanDerWaalsContact O-CG 3.3Å; A248-Q252 WeakPolarHBondContact O-CG 3.46Å; A248-Q252 PolarHBondContact O-N 2.92Å; A249-Q252 PolarHBondContact O-N 3.27Å; I250-Q252 VanDerWaalsContact C-N 3.34Å; I250-Q252 PolarHBondContact O-N 3.44Å; Q252-E254 VanDerWaalsContact C-N 3.34Å; Q252-E254 PolarHBondContact O-N 2.86Å; Q252-L255 PolarHBondContact O-N 3.26Å; Q252-E256 WeakPolarHBondContact O-CB 3.48Å; Q252-E256 WeakPolarHBondContact O-CG 3.46Å; Q252-E256 PolarHBondContact O-N 3.37Å; Q252-A289 HydrophobicContact CG-CB 3.85Å; Q252-A289 WeakPolarHBondContact CG-O 3.26Å; Q252-A289 PolarHBondContact NE2-O 2.92Å; Q252-S770 PolarHBondContact OE1-OG 3.37Å; Q252-S770 VanDerWaalsContact OE1-OG 3.11Å
253	R	81	Confident	81.6	Confident	99 Å²	99	51.4 Å²	51.4	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-41.1	177.7	-166.6	-165.1	-68.4	-177.9	-1.9	112	A249 I250 E256 A257 E762 T766	A249-R253 PolarHBondContact O-N 3.03Å; I250-R253 WeakPolarHBondContact O-CB 3.34Å; I250-R253 PolarHBondContact O-N 3.16Å; R253-E256 PolarHBondContact O-N 3.13Å; R253-A257 WeakPolarHBondContact O-CB 3.5Å; R253-A257 PolarHBondContact O-N 2.93Å; R253-E762 IonicContact CZ-OE2 3.66Å; R253-E762 IonicContact NH1-OE2 3.65Å; R253-E762 PolarHBondContact NH1-OE2 2.95Å; R253-E762 IonicContact NH2-OE2 2.87Å; R253-E762 PolarHBondContact NH2-OE2 2.95Å; R253-T766 HydrophobicContact CB-CG2 4.02Å; R253-T766 PolarHBondContact NE-OG1 2.9Å; R253-T766 PolarHBondContact NH2-OG1 3.3Å
254	E	81.1	Confident	81.2	Confident	103 Å²	103	53.1 Å²	53.1	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-46.4	176.1	-177.8	172.5	-164.2	0	0	111.6	I250 A251 Q252 E256 A257 L258 L285	I250-E254 PolarHBondContact O-N 2.84Å; A251-E254 PolarHBondContact O-N 3.34Å; Q252-E254 VanDerWaalsContact C-N 3.34Å; Q252-E254 PolarHBondContact O-N 2.86Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 3.41Å; E254-A257 PolarHBondContact O-N 3.3Å; E254-L258 WeakPolarHBondContact O-CG 3.36Å; E254-L258 PolarHBondContact O-N 2.97Å; E254-L285 HydrophobicContact CB-CD1 4.15Å; E254-L285 HydrophobicContact CG-CD1 4.03Å; E254-L285 HydrophobicContact CG-CD2 4.04Å; E254-L285 WeakPolarHBondContact OE2-CD1 3.41Å
255	L	79.5	Confident	80.3	Confident	18 Å²	18	55.8 Å²	55.8	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-38.9	174.5	-176.7	66.1	0	0	0	111.9	A251 Q252 L258 Q259 L285 L286	A251-L255 VanDerWaalsContact O-CB 3.28Å; A251-L255 WeakPolarHBondContact O-CB 3.27Å; A251-L255 PolarHBondContact O-N 2.87Å; Q252-L255 PolarHBondContact O-N 3.26Å; L255-L258 PolarHBondContact O-N 3.16Å; L255-Q259 WeakPolarHBondContact O-CG 3.11Å; L255-Q259 PolarHBondContact O-N 3.42Å; L255-L285 HydrophobicContact CB-CD2 4.03Å; L255-L285 HydrophobicContact CB-CG 4.3Å; L255-L285 HydrophobicContact CD1-CD2 4.12Å; L255-L286 HydrophobicContact CD2-CD1 3.86Å
256	E	81.4	Confident	79.1	Confident	30 Å²	30	61 Å²	61	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-42.1	175.5	-79.8	-178.8	-176.4	0	0	112.8	Q252 R253 E254 L258 Q259 Q260 S770 I772	Q252-E256 WeakPolarHBondContact O-CB 3.48Å; Q252-E256 WeakPolarHBondContact O-CG 3.46Å; Q252-E256 PolarHBondContact O-N 3.37Å; R253-E256 PolarHBondContact O-N 3.13Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 3.41Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.28Å; E256-Q259 PolarHBondContact O-N 3.07Å; E256-Q259 VanDerWaalsContact O-N 3.16Å; E256-Q260 WeakPolarHBondContact O-CB 3.42Å; E256-Q260 VanDerWaalsContact O-CG 3.3Å; E256-Q260 WeakPolarHBondContact O-CG 3.43Å; E256-Q260 PolarHBondContact O-N 2.89Å; E256-S770 WeakPolarHBondContact OE1-CA 3.36Å; E256-S770 WeakPolarHBondContact OE1-CB 3.49Å; E256-I772 HydrophobicContact CG-CD1 3.69Å; E256-I772 VanDerWaalsContact OE1-CD1 3.29Å; E256-I772 WeakPolarHBondContact OE1-CD1 3.4Å; E256-I772 WeakPolarHBondContact OE1-CG1 3.39Å
257	A	82.9	Confident	77.8	Confident	53 Å²	53	64.3 Å²	64.3	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-45.2	173.2	0	0	0	0	0	111.2	R253 E254 Q259 Q260 Q261	R253-A257 WeakPolarHBondContact O-CB 3.5Å; R253-A257 PolarHBondContact O-N 2.93Å; E254-A257 PolarHBondContact O-N 3.3Å; A257-Q259 VanDerWaalsContact C-N 3.34Å; A257-Q259 PolarHBondContact O-N 3.45Å; A257-Q260 PolarHBondContact O-N 2.96Å; A257-Q261 WeakPolarHBondContact O-CB 3.25Å; A257-Q261 PolarHBondContact O-N 3.35Å
258	L	78.6	Confident	76.6	Confident	62 Å²	62	73.3 Å²	73.3	33%	0.325	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-33.8	174.8	-69	171.4	0	0	0	112.8	E254 L255 E256 R262 L285	E254-L258 WeakPolarHBondContact O-CG 3.36Å; E254-L258 PolarHBondContact O-N 2.97Å; L255-L258 PolarHBondContact O-N 3.16Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.28Å; L258-R262 WeakPolarHBondContact O-CB 3.41Å; L258-R262 VanDerWaalsContact O-CG 3.29Å; L258-R262 WeakPolarHBondContact O-CG 3.35Å; L258-R262 PolarHBondContact O-N 3.3Å; L258-R262 PolarHBondContact O-NE 3.41Å; L258-L285 HydrophobicContact CD1-CD2 3.65Å
259	Q	79.8	Confident	75	Confident	45 Å²	45	76.2 Å²	76.2	21%	0.21	38%	0.383	C	S	.	.	H	α-helix	trans	-69.7	-42.2	172.4	-77.3	-175.3	48.1	0	0	112.3	L255 E256 A257 R262 R263	L255-Q259 WeakPolarHBondContact O-CG 3.11Å; L255-Q259 PolarHBondContact O-N 3.42Å; E256-Q259 PolarHBondContact O-N 3.07Å; E256-Q259 VanDerWaalsContact O-N 3.16Å; A257-Q259 VanDerWaalsContact C-N 3.34Å; A257-Q259 PolarHBondContact O-N 3.45Å; Q259-R262 PolarHBondContact O-N 3.13Å; Q259-R263 VanDerWaalsContact O-CG 3.28Å; Q259-R263 WeakPolarHBondContact O-CG 3.42Å; Q259-R263 PolarHBondContact O-N 3.17Å
260	Q	81.9	Confident	73.5	Confident	128 Å²	128	82 Å²	82	60%	0.598	42%	0.423	S	S	*	.	H	α-helix	trans	-64	-44.9	176.7	-70.6	177.3	33.5	0	0	110.9	E256 A257 R262 R263 A264	E256-Q260 WeakPolarHBondContact O-CB 3.42Å; E256-Q260 VanDerWaalsContact O-CG 3.3Å; E256-Q260 WeakPolarHBondContact O-CG 3.43Å; E256-Q260 PolarHBondContact O-N 2.89Å; A257-Q260 PolarHBondContact O-N 2.96Å; Q260-R262 PolarHBondContact O-N 3.45Å; Q260-R263 PolarHBondContact O-N 2.7Å; Q260-A264 WeakPolarHBondContact O-CB 3.4Å; Q260-A264 PolarHBondContact O-N 2.84Å
261	Q	80.1	Confident	72	Confident	106 Å²	106	88.2 Å²	88.2	50%	0.495	45%	0.448	S	S	.	.	H	α-helix	trans	-60.3	-44.2	175	-171.6	-179.7	0.5	0	0	111.7	A257 A264 M265	A257-Q261 WeakPolarHBondContact O-CB 3.25Å; A257-Q261 PolarHBondContact O-N 3.35Å; Q261-A264 PolarHBondContact O-N 3.28Å; Q261-M265 HydrophobicContact CG-CE 4.07Å; Q261-M265 WeakPolarHBondContact O-CG 3.47Å; Q261-M265 PolarHBondContact O-N 3.29Å
262	R	72	Confident	70.2	Confident	60 Å²	60	92.2 Å²	92.2	23%	0.226	48%	0.475	C	S	.	.	H	α-helix	trans	-60.8	-45.1	173.7	-79.9	179.6	-82.6	-162	-5	112.3	L258 Q259 Q260 A264 M265 M266 H279 D282	L258-R262 WeakPolarHBondContact O-CB 3.41Å; L258-R262 VanDerWaalsContact O-CG 3.29Å; L258-R262 WeakPolarHBondContact O-CG 3.35Å; L258-R262 PolarHBondContact O-N 3.3Å; L258-R262 PolarHBondContact O-NE 3.41Å; Q259-R262 PolarHBondContact O-N 3.13Å; Q260-R262 PolarHBondContact O-N 3.45Å; R262-A264 VanDerWaalsContact C-N 3.35Å; R262-A264 PolarHBondContact O-N 2.67Å; R262-M265 PolarHBondContact O-N 3.26Å; R262-M266 VanDerWaalsContact O-CG 3.3Å; R262-M266 WeakPolarHBondContact O-CG 3.48Å; R262-M266 PolarHBondContact O-N 2.99Å; R262-H279 PolarHBondContact NH1-CD2 3.14Å; R262-D282 IonicContact CZ-OD1 2.65Å; R262-D282 VanDerWaalsContact CZ-OD1 3.3Å; R262-D282 IonicContact CZ-OD2 2.64Å; R262-D282 VanDerWaalsContact NH1-CG 3.31Å; R262-D282 IonicContact NH1-OD1 3.51Å; R262-D282 PolarHBondContact NH1-OD1 3.36Å; R262-D282 IonicContact NH1-OD2 2.61Å; R262-D282 PolarHBondContact NH1-OD2 2.96Å; R262-D282 IonicContact NH2-OD1 2.66Å; R262-D282 PolarHBondContact NH2-OD1 3.4Å; R262-D282 IonicContact NH2-OD2 3.76Å
263	R	75.6	Confident	68.3	Low	166 Å²	166	103 Å²	103	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-60.2	-42.5	174.7	-70.1	171.2	-165.9	-173.9	8.9	111.7	Q259 Q260 M266 S267	Q259-R263 VanDerWaalsContact O-CG 3.28Å; Q259-R263 WeakPolarHBondContact O-CG 3.42Å; Q259-R263 PolarHBondContact O-N 3.17Å; Q260-R263 PolarHBondContact O-N 2.7Å; R263-M266 PolarHBondContact O-N 2.73Å; R263-S267 PolarHBondContact O-N 2.92Å
264	A	75.3	Confident	66.4	Low	61 Å²	61	107.5 Å²	107.5	50%	0.504	54%	0.541	S	S	.	.	H	α-helix	trans	-63.2	-43.1	177.2	0	0	0	0	0	112.3	Q260 Q261 R262 S267	Q260-A264 WeakPolarHBondContact O-CB 3.4Å; Q260-A264 PolarHBondContact O-N 2.84Å; Q261-A264 PolarHBondContact O-N 3.28Å; R262-A264 VanDerWaalsContact C-N 3.35Å; R262-A264 PolarHBondContact O-N 2.67Å; A264-S267 WeakPolarHBondContact O-CB 3.34Å; A264-S267 PolarHBondContact O-N 2.86Å; A264-S267 PolarHBondContact O-OG 2.81Å
265	M	66.5	Low	64.3	Low	116 Å²	116	110.3 Å²	110.3	57%	0.571	55%	0.554	S	S	*	*	H	α-helix	trans	-65	-41.9	175	-67.5	-164.8	-167.3	0	0	112.5	Q261 R262 S267 K268	Q261-M265 HydrophobicContact CG-CE 4.07Å; Q261-M265 WeakPolarHBondContact O-CG 3.47Å; Q261-M265 PolarHBondContact O-N 3.29Å; R262-M265 PolarHBondContact O-N 3.26Å; M265-S267 PolarHBondContact O-N 3.12Å; M265-K268 PolarHBondContact O-N 2.85Å
266	M	59.9	Low	62.4	Low	109 Å²	109	118 Å²	118	54%	0.537	59%	0.591	S	S	.	*	H	α-helix	trans	-61.5	-27.1	179.6	-72.7	178	-171.5	0	0	113.3	R262 R263 K268 S269	R262-M266 VanDerWaalsContact O-CG 3.3Å; R262-M266 WeakPolarHBondContact O-CG 3.48Å; R262-M266 PolarHBondContact O-N 2.99Å; R263-M266 PolarHBondContact O-N 2.73Å; M266-K268 PolarHBondContact O-N 3.03Å; M266-S269 PolarHBondContact O-N 2.86Å; M266-S269 VanDerWaalsContact O-N 3.12Å
267	S	57.1	Low	60.5	Low	95 Å²	95	123.5 Å²	123.5	66%	0.664	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-23.3	176.6	73.8	0	0	0	0	114.2	R263 A264 M265	R263-S267 PolarHBondContact O-N 2.92Å; A264-S267 WeakPolarHBondContact O-CB 3.34Å; A264-S267 PolarHBondContact O-N 2.86Å; A264-S267 PolarHBondContact O-OG 2.81Å; M265-S267 PolarHBondContact O-N 3.12Å
268	K	55.9	Low	59.1	Low	195 Å²	195	130.9 Å²	130.9	85%	0.848	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	1.2	-178.1	-61.8	-177.3	-179.7	178.8	0	114.3	M265 M266	M265-K268 PolarHBondContact O-N 2.85Å; M266-K268 PolarHBondContact O-N 3.03Å
269	S	52.3	Low	58	Low	63 Å²	63	131.3 Å²	131.3	44%	0.441	63%	0.634	S	S	.	*			trans	-140.6	100.2	-179	-174.8	0	0	0	0	112.7	M266 K271	M266-S269 PolarHBondContact O-N 2.86Å; M266-S269 VanDerWaalsContact O-N 3.12Å; S269-K271 PolarHBondContact O-N 2.92Å; S269-K271 VanDerWaalsContact O-N 3.16Å
270	S	52	Low	56.7	Low	124 Å²	124	131.7 Å²	131.7	87%	0.867	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	6.8	-178.1	53.3	0	0	0	0	115.3
271	K	51.6	Low	55.6	Low	199 Å²	199	126.3 Å²	126.3	87%	0.865	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-0.4	-163.6	-89.4	-179.3	173.6	175.7	0	117.8	S269	S269-K271 PolarHBondContact O-N 2.92Å; S269-K271 VanDerWaalsContact O-N 3.16Å
272	S	45.6	Very low	55.2	Low	83 Å²	83	122.5 Å²	122.5	58%	0.58	60%	0.602	S	S	*	*			trans	-115.8	27.8	-174.5	58.5	0	0	0	0	115.5	Q274	S272-Q274 PolarHBondContact O-N 2.82Å
273	R	45.2	Very low	55.5	Low	248 Å²	248	120.3 Å²	120.3	94%	0.936	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	9.2	-165	-140.4	-178.6	-161.5	175	5.9	117.3
274	Q	40.8	Very low	55.9	Low	193 Å²	193	112.7 Å²	112.7	90%	0.902	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	7.4	-162.1	-88.5	-178.6	-24.2	0	0	117.1	S272	S272-Q274 PolarHBondContact O-N 2.82Å
275	Q	37.2	Very low	56.2	Low	162 Å²	162	110.5 Å²	110.5	76%	0.757	55%	0.549	S	S	*	.			trans	-132.8	75.9	177	-154.9	163	23.4	0	0	112.6	Q277	Q275-Q277 VanDerWaalsContact C-N 3.3Å; Q275-Q277 PolarHBondContact O-N 3.47Å
276	M	37.8	Very low	57.1	Low	179 Å²	179	108.2 Å²	108.2	88%	0.882	54%	0.539	S	S	*	.			trans	-73.7	80.4	165.8	-90.9	-79	-169.3	0	0	109.9
277	Q	43	Very low	58.2	Low	146 Å²	146	104 Å²	104	68%	0.682	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-82.8	139.2	154	-86	180	-45.5	0	0	108.5	Q275	Q275-Q277 VanDerWaalsContact C-N 3.3Å; Q275-Q277 PolarHBondContact O-N 3.47Å
278	R	53.8	Low	59.5	Low	208 Å²	208	101.6 Å²	101.6	79%	0.785	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-60.2	138.4	166.7	-54.3	178.7	-168.7	168.5	2.2	107.3
279	H	54.1	Low	61	Low	72 Å²	72	92.5 Å²	92.5	33%	0.333	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-76.8	149	172.7	-66.3	-114.6	0	0	0	108.9	R262 D282	R262-H279 PolarHBondContact NH1-CD2 3.14Å; H279-D282 WeakPolarHBondContact CB-OD2 3.41Å; H279-D282 IonicContact CD2-OD2 3.66Å; H279-D282 IonicContact CG-OD2 3.34Å; H279-D282 PolarHBondContact N-OD2 3.35Å; H279-D282 WeakPolarHBondContact O-CB 3.46Å; H279-D282 PolarHBondContact O-N 3.3Å
280	P	52.5	Low	62.5	Low	52 Å²	52	93.6 Å²	93.6	34%	0.338	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	148	157.5	28.6	-33.7	0	0	0	108.9	F90 A128 D282	F90-P280 HydrophobicContact CE1-CB 4.47Å; A128-P280 HydrophobicContact CB-CG 3.84Å; P280-D282 VanDerWaalsContact C-N 3.3Å; P280-D282 PolarHBondContact O-N 2.93Å
281	G	59.8	Low	64.2	Low	16 Å²	16	89 Å²	89	17%	0.165	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-28.3	-170.3	0	0	0	0	0	114.8	E88 G283 L285	E88-G281 VanDerWaalsContact OE1-C 3.28Å; E88-G281 VanDerWaalsContact OE1-CA 3.27Å; E88-G281 WeakPolarHBondContact OE1-CA 3.24Å; E88-G281 PolarHBondContact OE1-N 3.09Å; E88-G281 PolarHBondContact OE2-N 2.78Å; G281-G283 VanDerWaalsContact C-N 3.26Å; G281-G283 PolarHBondContact O-N 3.08Å; G281-L285 WeakPolarHBondContact O-CB 3.49Å
282	D	70.5	Confident	66	Low	26 Å²	26	79.9 Å²	79.9	14%	0.139	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-27.9	177.9	-83	-40.8	0	0	0	112.4	R262 H279 P280 L286	R262-D282 IonicContact CZ-OD1 2.65Å; R262-D282 VanDerWaalsContact CZ-OD1 3.3Å; R262-D282 IonicContact CZ-OD2 2.64Å; R262-D282 VanDerWaalsContact NH1-CG 3.31Å; R262-D282 IonicContact NH1-OD1 3.51Å; R262-D282 PolarHBondContact NH1-OD1 3.36Å; R262-D282 IonicContact NH1-OD2 2.61Å; R262-D282 PolarHBondContact NH1-OD2 2.96Å; R262-D282 IonicContact NH2-OD1 2.66Å; R262-D282 PolarHBondContact NH2-OD1 3.4Å; R262-D282 IonicContact NH2-OD2 3.76Å; H279-D282 WeakPolarHBondContact CB-OD2 3.41Å; H279-D282 IonicContact CD2-OD2 3.66Å; H279-D282 IonicContact CG-OD2 3.34Å; H279-D282 PolarHBondContact N-OD2 3.35Å; H279-D282 WeakPolarHBondContact O-CB 3.46Å; H279-D282 PolarHBondContact O-N 3.3Å; P280-D282 VanDerWaalsContact C-N 3.3Å; P280-D282 PolarHBondContact O-N 2.93Å; D282-L286 WeakPolarHBondContact O-CB 3.27Å; D282-L286 PolarHBondContact O-N 3.38Å
283	G	78.8	Confident	68.1	Low	13 Å²	13	79.6 Å²	79.6	13%	0.134	38%	0.376	C	S	.	.	H	α-helix	trans	-80.7	-50.9	-166.4	0	0	0	0	0	113.1	V87 E88 G281 L285 L286 L287	V87-G283 VanDerWaalsContact CG1-O 3.26Å; V87-G283 WeakPolarHBondContact CG1-O 3.34Å; E88-G283 PolarHBondContact OE1-N 3.07Å; E88-G283 VanDerWaalsContact OE1-N 3.1Å; G281-G283 VanDerWaalsContact C-N 3.26Å; G281-G283 PolarHBondContact O-N 3.08Å; G283-L285 PolarHBondContact O-N 3.06Å; G283-L286 PolarHBondContact O-N 3.22Å; G283-L287 PolarHBondContact O-N 2.96Å
284	I	83.8	Confident	70.2	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-42.3	174.2	-70	172.6	0	0	0	109.4	H32 M68 V79 E88 F90 F135 L287 R288	H32-I284 VanDerWaalsContact CE1-CG2 3.49Å; H32-I284 WeakPolarHBondContact CE1-CG2 3.41Å; M68-I284 HydrophobicContact CE-CB 4.25Å; M68-I284 HydrophobicContact CE-CG1 4Å; M68-I284 HydrophobicContact CE-CG2 3.86Å; M68-I284 HydrophobicContact SD-CG1 4.48Å; V79-I284 HydrophobicContact CG1-CG1 4.48Å; E88-I284 HydrophobicContact CB-CG1 4.48Å; E88-I284 HydrophobicContact CG-CG1 4.06Å; E88-I284 WeakPolarHBondContact OE1-CB 3.29Å; E88-I284 WeakPolarHBondContact OE1-CG1 3.34Å; E88-I284 PolarHBondContact OE1-N 3.09Å; F90-I284 HydrophobicContact CE2-CD1 4.38Å; F90-I284 HydrophobicContact CZ-CD1 4.03Å; F135-I284 HydrophobicContact CZ-CD1 4.45Å; I284-L287 PolarHBondContact O-N 3.07Å; I284-R288 WeakPolarHBondContact O-CB 3.37Å; I284-R288 PolarHBondContact O-N 3.5Å
285	L	82.5	Confident	72.7	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-44.6	175.8	-177.3	62.9	0	0	0	112.1	A251 E254 L255 L258 G281 G283 R288 A289	A251-L285 HydrophobicContact CB-CD1 3.84Å; E254-L285 HydrophobicContact CB-CD1 4.15Å; E254-L285 HydrophobicContact CG-CD1 4.03Å; E254-L285 HydrophobicContact CG-CD2 4.04Å; E254-L285 WeakPolarHBondContact OE2-CD1 3.41Å; L255-L285 HydrophobicContact CB-CD2 4.03Å; L255-L285 HydrophobicContact CB-CG 4.3Å; L255-L285 HydrophobicContact CD1-CD2 4.12Å; L258-L285 HydrophobicContact CD1-CD2 3.65Å; G281-L285 WeakPolarHBondContact O-CB 3.49Å; G283-L285 PolarHBondContact O-N 3.06Å; L285-R288 PolarHBondContact O-N 3.28Å; L285-A289 VanDerWaalsContact O-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.36Å; L285-A289 PolarHBondContact O-N 3.44Å
286	L	84	Confident	75.2	Confident	69 Å²	69	63.5 Å²	63.5	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-35	177.4	179.6	63	0	0	0	112.8	L255 D282 G283 A289 Q290	L255-L286 HydrophobicContact CD2-CD1 3.86Å; D282-L286 WeakPolarHBondContact O-CB 3.27Å; D282-L286 PolarHBondContact O-N 3.38Å; G283-L286 PolarHBondContact O-N 3.22Å; L286-A289 PolarHBondContact O-N 2.91Å; L286-Q290 WeakPolarHBondContact O-CG 3.35Å
287	L	84.7	Confident	77.9	Confident	20 Å²	20	55 Å²	55	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-48.9	173.5	-168.8	78	0	0	0	110.6	Q66 M68 D81 V87 G283 I284 A289 Q290	Q66-L287 HydrophobicContact CG-CD2 3.88Å; M68-L287 HydrophobicContact CE-CD2 3.94Å; M68-L287 HydrophobicContact CG-CD2 4.45Å; D81-L287 HydrophobicContact CB-CD1 3.89Å; D81-L287 HydrophobicContact CB-CD2 4.28Å; V87-L287 HydrophobicContact CG1-CB 4.02Å; V87-L287 HydrophobicContact CG1-CD2 4.46Å; V87-L287 HydrophobicContact CG2-CD1 4.16Å; V87-L287 HydrophobicContact CG2-CD2 4.11Å; G283-L287 PolarHBondContact O-N 2.96Å; I284-L287 PolarHBondContact O-N 3.07Å; L287-A289 PolarHBondContact O-N 2.76Å; L287-Q290 WeakPolarHBondContact O-CB 3.35Å; L287-Q290 WeakPolarHBondContact O-CG 3.33Å; L287-Q290 PolarHBondContact O-N 2.81Å
288	R	84.8	Confident	80.4	Confident	45 Å²	45	51.1 Å²	51.1	17%	0.17	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-31.4	176	-175.8	-174.6	166.8	91.9	5.4	112.3	W64 S247 A248 A251 I284 L285 Q290	W64-R288 HydrophobicContact CE3-CG 4.31Å; W64-R288 HydrophobicContact CZ3-CG 4.19Å; W64-R288 PolarHBondContact O-NH1 2.81Å; S247-R288 PolarHBondContact OG-NE 3.18Å; S247-R288 PolarHBondContact OG-NH1 2.87Å; S247-R288 PolarHBondContact OG-NH2 3.15Å; S247-R288 VanDerWaalsContact OG-NH2 3.13Å; A248-R288 VanDerWaalsContact CA-O 3.22Å; A248-R288 WeakPolarHBondContact CA-O 3.34Å; A251-R288 HydrophobicContact CB-CB 4.08Å; A251-R288 HydrophobicContact CB-CG 3.76Å; I284-R288 WeakPolarHBondContact O-CB 3.37Å; I284-R288 PolarHBondContact O-N 3.5Å; L285-R288 PolarHBondContact O-N 3.28Å; R288-Q290 VanDerWaalsContact C-N 3.27Å; R288-Q290 PolarHBondContact O-N 2.98Å
289	A	86	Confident	82.3	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.033	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.2	177.6	0	0	0	0	0	114.9	A251 Q252 L285 L286 L287	A251-A289 HydrophobicContact CB-CB 3.89Å; Q252-A289 HydrophobicContact CG-CB 3.85Å; Q252-A289 WeakPolarHBondContact CG-O 3.26Å; Q252-A289 PolarHBondContact NE2-O 2.92Å; L285-A289 VanDerWaalsContact O-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.36Å; L285-A289 PolarHBondContact O-N 3.44Å; L286-A289 PolarHBondContact O-N 2.91Å; L287-A289 PolarHBondContact O-N 2.76Å
290	Q	85.2	Confident	84.2	Confident	85 Å²	85	40.1 Å²	40.1	40%	0.397	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-77.3	138.2	176	-56.5	-169	30.6	0	0	111.1	A248 L286 L287 R288 L776	A248-Q290 WeakPolarHBondContact CB-O 3.43Å; L286-Q290 WeakPolarHBondContact O-CG 3.35Å; L287-Q290 WeakPolarHBondContact O-CB 3.35Å; L287-Q290 WeakPolarHBondContact O-CG 3.33Å; L287-Q290 PolarHBondContact O-N 2.81Å; R288-Q290 VanDerWaalsContact C-N 3.27Å; R288-Q290 PolarHBondContact O-N 2.98Å; Q290-L776 HydrophobicContact CG-CD1 4.25Å; Q290-L776 HydrophobicContact CG-CD2 3.86Å
291	L	86.9	Confident	86.3	Confident	29 Å²	29	37.6 Å²	37.6	15%	0.152	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-78.5	160.6	170.2	-78.3	-176.7	0	0	0	111.3	I245 A248 F297 W343 A344	I245-L291 HydrophobicContact CB-CD2 4.39Å; I245-L291 HydrophobicContact CG1-CD2 4.21Å; I245-L291 HydrophobicContact CG2-CD2 4.19Å; A248-L291 HydrophobicContact CB-CD2 3.9Å; L291-F297 HydrophobicContact CB-CE2 4.49Å; L291-W343 HydrophobicContact CD1-CE3 3.44Å; L291-W343 VanDerWaalsContact CD1-CE3 3.44Å; L291-W343 HydrophobicContact CD1-CZ3 3.39Å; L291-W343 HydrophobicContact CG-CZ3 4.19Å; L291-A344 HydrophobicContact CD1-CB 3.71Å
292	P	88.1	Confident	88.1	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.039	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-53	152.8	171.5	-23.7	33.2	0	0	0	112.8	F241 R244 I245 E296 F297	F241-P292 HydrophobicContact CD2-CG 4.4Å; F241-P292 HydrophobicContact CE1-CG 4.22Å; F241-P292 HydrophobicContact CE2-CB 3.54Å; F241-P292 HydrophobicContact CE2-CG 3.73Å; F241-P292 HydrophobicContact CZ-CB 3.57Å; F241-P292 HydrophobicContact CZ-CG 3.63Å; R244-P292 HydrophobicContact CG-CG 4.35Å; I245-P292 HydrophobicContact CG1-CG 4.26Å; P292-E296 HydrophobicContact CB-CB 4.27Å; P292-F297 HydrophobicContact CB-CD2 3.91Å; P292-F297 HydrophobicContact CB-CE2 3.76Å; P292-F297 HydrophobicContact CG-CE2 4.06Å; P292-F297 HydrophobicContact CG-CZ 4.39Å; P292-F297 WeakPolarHBondContact O-CD2 3.35Å; P292-F297 VanDerWaalsContact O-CE2 3.26Å; P292-F297 WeakPolarHBondContact O-CE2 3.43Å
293	T	89.8	Confident	89.3	Confident	78 Å²	78	37.2 Å²	37.2	48%	0.479	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-70.5	158.6	177.3	65.2	0	0	0	0	111.7	L295 E296 F297	T293-L295 PolarHBondContact O-N 3.28Å; T293-L295 VanDerWaalsContact O-N 3.16Å; T293-E296 WeakPolarHBondContact CB-OE2 3.45Å; T293-E296 PolarHBondContact N-OE2 2.91Å; T293-E296 PolarHBondContact O-N 3.12Å; T293-E296 WeakPolarHBondContact OG1-CG 3.42Å; T293-E296 PolarHBondContact OG1-OE2 2.85Å; T293-F297 WeakPolarHBondContact O-CD2 3.43Å; T293-F297 PolarHBondContact O-N 3.18Å
294	E	90.8	Very high	90.1	Very high	61 Å²	61	36.6 Å²	36.6	29%	0.285	18%	0.184	S	C	.	.	H	α-helix	trans	-56.6	-31.6	178.5	173.4	159.8	-165.8	0	0	112.8	F298 F345 R347 I349	E294-F298 WeakPolarHBondContact O-CB 3.39Å; E294-F298 PolarHBondContact O-N 3.06Å; E294-F345 HydrophobicContact CB-CD1 4.47Å; E294-F345 HydrophobicContact CB-CE1 3.96Å; E294-F345 HydrophobicContact CB-CE2 4.49Å; E294-F345 HydrophobicContact CB-CZ 3.98Å; E294-R347 IonicContact OE1-CZ 3.84Å; E294-R347 IonicContact OE1-NE 3.14Å; E294-R347 IonicContact OE1-NH2 2.71Å; E294-R347 PolarHBondContact OE1-NH2 3.19Å; E294-R347 IonicContact OE2-CZ 3.96Å; E294-R347 IonicContact OE2-NH2 2.95Å; E294-R347 PolarHBondContact OE2-NH2 2.93Å; E294-I349 HydrophobicContact CB-CD1 4.34Å; E294-I349 HydrophobicContact CG-CD1 3.76Å; E294-I349 HydrophobicContact CG-CG1 4.31Å
295	L	91.7	Very high	90.7	Very high	142 Å²	142	36.3 Å²	36.3	74%	0.743	18%	0.182	S	C	*	.	H	α-helix	trans	-68.4	-36.9	176.4	-65.7	176.6	0	0	0	112.7	T293 F298 D299	T293-L295 PolarHBondContact O-N 3.28Å; T293-L295 VanDerWaalsContact O-N 3.16Å; L295-F298 WeakPolarHBondContact O-CB 3.28Å; L295-F298 PolarHBondContact O-N 2.86Å; L295-D299 PolarHBondContact O-N 3.02Å
296	E	91.7	Very high	91.3	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.29	18%	0.183	S	C	.	.	H	α-helix	trans	-77.7	-33.8	178	-58.6	166.2	90.3	0	0	111.5	F241 R244 P292 T293 F298 I300	F241-E296 HydrophobicContact CE2-CB 3.85Å; F241-E296 WeakPolarHBondContact CE2-O 3.18Å; R244-E296 IonicContact CZ-OE1 3.64Å; R244-E296 IonicContact NH1-OE1 3.33Å; R244-E296 PolarHBondContact NH1-OE1 2.69Å; R244-E296 IonicContact NH2-OE1 3.83Å; R244-E296 PolarHBondContact NH2-OE1 2.88Å; P292-E296 HydrophobicContact CB-CB 4.27Å; T293-E296 WeakPolarHBondContact CB-OE2 3.45Å; T293-E296 PolarHBondContact N-OE2 2.91Å; T293-E296 PolarHBondContact O-N 3.12Å; T293-E296 WeakPolarHBondContact OG1-CG 3.42Å; T293-E296 PolarHBondContact OG1-OE2 2.85Å; E296-F298 VanDerWaalsContact C-N 3.26Å; E296-F298 PolarHBondContact O-N 2.71Å; E296-I300 WeakPolarHBondContact O-CB 3.28Å; E296-I300 PolarHBondContact O-N 3.1Å
297	F	94.1	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-34.2	166	-86.7	-76.3	0	0	0	111.9	F241 I245 L291 P292 T293 L301 I337 A340 C341 F345 I349	F241-F297 AromaticContact CE1-CD1 3.67Å; F241-F297 HydrophobicContact CE1-CD1 3.67Å; F241-F297 AromaticContact CE1-CE1 3.64Å; F241-F297 HydrophobicContact CE1-CE1 3.64Å; F241-F297 HydrophobicContact CE1-CG 4.27Å; F241-F297 HydrophobicContact CE1-CZ 4.19Å; F241-F297 HydrophobicContact CZ-CB 4.35Å; F241-F297 AromaticContact CZ-CD1 3.59Å; F241-F297 HydrophobicContact CZ-CD1 3.59Å; F241-F297 HydrophobicContact CZ-CD2 4Å; F241-F297 AromaticContact CZ-CE1 3.86Å; F241-F297 HydrophobicContact CZ-CE1 3.86Å; F241-F297 HydrophobicContact CZ-CE2 4.24Å; F241-F297 AromaticContact CZ-CG 3.7Å; F241-F297 HydrophobicContact CZ-CG 3.7Å; F241-F297 HydrophobicContact CZ-CZ 4.18Å; I245-F297 HydrophobicContact CD1-CE1 3.87Å; I245-F297 HydrophobicContact CD1-CZ 4Å; I245-F297 HydrophobicContact CG1-CZ 4.31Å; L291-F297 HydrophobicContact CB-CE2 4.49Å; P292-F297 HydrophobicContact CB-CD2 3.91Å; P292-F297 HydrophobicContact CB-CE2 3.76Å; P292-F297 HydrophobicContact CG-CE2 4.06Å; P292-F297 HydrophobicContact CG-CZ 4.39Å; P292-F297 WeakPolarHBondContact O-CD2 3.35Å; P292-F297 VanDerWaalsContact O-CE2 3.26Å; P292-F297 WeakPolarHBondContact O-CE2 3.43Å; T293-F297 WeakPolarHBondContact O-CD2 3.43Å; T293-F297 PolarHBondContact O-N 3.18Å; F297-L301 WeakPolarHBondContact O-CB 3.42Å; F297-L301 VanDerWaalsContact O-CD1 3.31Å; F297-L301 WeakPolarHBondContact O-CD1 3.06Å; F297-L301 WeakPolarHBondContact O-CG 3.26Å; F297-L301 PolarHBondContact O-N 3.4Å; F297-I337 HydrophobicContact CD1-CG2 3.97Å; F297-I337 HydrophobicContact CE1-CG2 4.16Å; F297-A340 HydrophobicContact CE1-CB 4.02Å; F297-A340 HydrophobicContact CZ-CB 4.03Å; F297-C341 WeakPolarHBondContact CD1-SG 3.43Å; F297-F345 HydrophobicContact CB-CE2 4.41Å; F297-F345 AromaticContact CD2-CE2 3.45Å; F297-F345 HydrophobicContact CD2-CE2 3.45Å; F297-F345 VanDerWaalsContact CD2-CE2 3.45Å; F297-F345 AromaticContact CD2-CZ 3.71Å; F297-F345 HydrophobicContact CD2-CZ 3.71Å; F297-F345 AromaticContact CE2-CE2 3.78Å; F297-F345 HydrophobicContact CE2-CE2 3.78Å; F297-F345 HydrophobicContact CE2-CZ 4.03Å; F297-F345 HydrophobicContact CG-CE2 4Å; F297-I349 HydrophobicContact CB-CD1 3.78Å; F297-I349 HydrophobicContact CG-CD1 4.46Å
298	F	94.1	Very high	92.4	Very high	64 Å²	64	32.2 Å²	32.2	28%	0.281	16%	0.161	S	C	.	.	H	α-helix	trans	-67.8	-54.9	173.5	-166.3	-84.4	0	0	0	111.2	E294 L295 E296 I300 L301 Q302 I349 Q352 V353	E294-F298 WeakPolarHBondContact O-CB 3.39Å; E294-F298 PolarHBondContact O-N 3.06Å; L295-F298 WeakPolarHBondContact O-CB 3.28Å; L295-F298 PolarHBondContact O-N 2.86Å; E296-F298 VanDerWaalsContact C-N 3.26Å; E296-F298 PolarHBondContact O-N 2.71Å; F298-I300 PolarHBondContact O-N 3.28Å; F298-L301 WeakPolarHBondContact O-CB 3.38Å; F298-L301 PolarHBondContact O-N 3.41Å; F298-L301 VanDerWaalsContact O-N 3.16Å; F298-Q302 HydrophobicContact CD1-CG 3.96Å; F298-Q302 VanDerWaalsContact CE1-CD 3.49Å; F298-Q302 HydrophobicContact CE1-CG 3.93Å; F298-Q302 WeakPolarHBondContact O-CG 3.5Å; F298-Q302 PolarHBondContact O-N 3.02Å; F298-I349 HydrophobicContact CB-CG2 4.49Å; F298-I349 HydrophobicContact CD2-CG2 4.01Å; F298-Q352 HydrophobicContact CE2-CB 4.19Å; F298-Q352 WeakPolarHBondContact CE2-O 3.4Å; F298-V353 HydrophobicContact CD2-CG2 3.89Å; F298-V353 HydrophobicContact CE2-CB 4.45Å; F298-V353 HydrophobicContact CE2-CG2 3.96Å; F298-V353 HydrophobicContact CG-CG2 4.39Å
299	D	94.2	Very high	92.9	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-45.2	179.7	169	62.4	0	0	0	112.8	L295 L301 Q302 K303 Y400	L295-D299 PolarHBondContact O-N 3.02Å; D299-L301 VanDerWaalsContact C-N 3.25Å; D299-L301 PolarHBondContact O-N 2.97Å; D299-Q302 WeakPolarHBondContact O-CA 3.46Å; D299-Q302 WeakPolarHBondContact O-CB 3.43Å; D299-Q302 PolarHBondContact O-N 2.8Å; D299-K303 PolarHBondContact O-N 3.33Å; D299-K303 VanDerWaalsContact OD1-CE 3.28Å; D299-K303 WeakPolarHBondContact OD1-CE 3.4Å; D299-K303 IonicContact OD1-NZ 2.71Å; D299-K303 WeakPolarHBondContact OD2-CE 3.45Å; D299-K303 IonicContact OD2-NZ 3.07Å; D299-K303 PolarHBondContact OD2-NZ 3.29Å; D299-Y400 PolarHBondContact OD1-OH 3.1Å
300	I	95.2	Very high	93.3	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-35.2	-179.5	-154.6	64.9	0	0	0	111.8	D237 I238 F241 E296 F298 K303 F304 I337	D237-I300 HydrophobicContact CB-CD1 4.03Å; I238-I300 HydrophobicContact CG1-CD1 3.88Å; I238-I300 HydrophobicContact CG1-CG1 4.11Å; F241-I300 HydrophobicContact CB-CD1 4Å; F241-I300 HydrophobicContact CB-CG1 3.9Å; F241-I300 HydrophobicContact CD1-CB 4.35Å; F241-I300 HydrophobicContact CD1-CG1 4.13Å; F241-I300 HydrophobicContact CD1-CG2 3.89Å; F241-I300 HydrophobicContact CD2-CB 4.1Å; F241-I300 HydrophobicContact CD2-CG1 4.19Å; F241-I300 HydrophobicContact CD2-CG2 4.28Å; F241-I300 HydrophobicContact CE1-CB 4.48Å; F241-I300 HydrophobicContact CE1-CG2 3.67Å; F241-I300 HydrophobicContact CE2-CB 4.28Å; F241-I300 HydrophobicContact CE2-CG2 4.12Å; F241-I300 HydrophobicContact CG-CB 4.15Å; F241-I300 HydrophobicContact CG-CD1 4.32Å; F241-I300 HydrophobicContact CG-CG1 3.83Å; F241-I300 HydrophobicContact CG-CG2 4.18Å; F241-I300 HydrophobicContact CZ-CB 4.46Å; F241-I300 HydrophobicContact CZ-CG2 3.81Å; E296-I300 WeakPolarHBondContact O-CB 3.28Å; E296-I300 PolarHBondContact O-N 3.1Å; F298-I300 PolarHBondContact O-N 3.28Å; I300-K303 HydrophobicContact CD1-CB 4.48Å; I300-K303 HydrophobicContact CD1-CD 4.09Å; I300-K303 WeakPolarHBondContact O-CB 3.45Å; I300-K303 PolarHBondContact O-N 3.13Å; I300-F304 HydrophobicContact CG1-CE2 4.43Å; I300-F304 WeakPolarHBondContact O-CD2 3.33Å; I300-F304 PolarHBondContact O-N 3.19Å; I300-I337 HydrophobicContact CG1-CD1 4.39Å; I300-I337 HydrophobicContact CG2-CD1 4.31Å; I300-I337 HydrophobicContact CG2-CG2 4.07Å
301	L	96.4	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-33.2	173.3	-73.2	172.7	0	0	0	111.8	F297 F298 D299 K303 F304 K305 L334 I337 V338 I349 A350 V353 W385	F297-L301 WeakPolarHBondContact O-CB 3.42Å; F297-L301 VanDerWaalsContact O-CD1 3.31Å; F297-L301 WeakPolarHBondContact O-CD1 3.06Å; F297-L301 WeakPolarHBondContact O-CG 3.26Å; F297-L301 PolarHBondContact O-N 3.4Å; F298-L301 WeakPolarHBondContact O-CB 3.38Å; F298-L301 PolarHBondContact O-N 3.41Å; F298-L301 VanDerWaalsContact O-N 3.16Å; D299-L301 VanDerWaalsContact C-N 3.25Å; D299-L301 PolarHBondContact O-N 2.97Å; L301-K303 VanDerWaalsContact C-N 3.33Å; L301-F304 HydrophobicContact CD2-CD2 4.44Å; L301-F304 PolarHBondContact O-N 3.21Å; L301-K305 PolarHBondContact O-N 3.26Å; L301-L334 HydrophobicContact CD2-CD1 3.74Å; L301-I337 HydrophobicContact CD2-CG2 4.14Å; L301-I337 HydrophobicContact CG-CG2 4.39Å; L301-V338 HydrophobicContact CD2-CG2 4.42Å; L301-I349 HydrophobicContact CD1-CB 4.4Å; L301-I349 HydrophobicContact CD1-CG2 4.33Å; L301-A350 HydrophobicContact CD1-CB 4.2Å; L301-V353 HydrophobicContact CB-CB 4.44Å; L301-V353 HydrophobicContact CB-CG1 4.03Å; L301-V353 HydrophobicContact CB-CG2 3.86Å; L301-V353 HydrophobicContact CD1-CG2 4.05Å; L301-W385 HydrophobicContact CB-CH2 4.24Å; L301-W385 HydrophobicContact CB-CZ2 4.02Å; L301-W385 HydrophobicContact CD2-CH2 3.97Å; L301-W385 HydrophobicContact CD2-CZ2 4.05Å; L301-W385 WeakPolarHBondContact O-CH2 3.28Å
302	Q	95.8	Very high	94	Very high	29 Å²	29	26 Å²	26	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-39.4	168.9	-58	-174.6	-84.2	0	0	111.4	F298 D299 F304 K305 L306 V353 S355 Y400	F298-Q302 HydrophobicContact CD1-CG 3.96Å; F298-Q302 VanDerWaalsContact CE1-CD 3.49Å; F298-Q302 HydrophobicContact CE1-CG 3.93Å; F298-Q302 WeakPolarHBondContact O-CG 3.5Å; F298-Q302 PolarHBondContact O-N 3.02Å; D299-Q302 WeakPolarHBondContact O-CA 3.46Å; D299-Q302 WeakPolarHBondContact O-CB 3.43Å; D299-Q302 PolarHBondContact O-N 2.8Å; Q302-F304 PolarHBondContact O-N 2.76Å; Q302-K305 PolarHBondContact O-N 3.37Å; Q302-K305 VanDerWaalsContact O-N 3.17Å; Q302-L306 PolarHBondContact O-N 2.7Å; Q302-V353 HydrophobicContact CB-CG1 4.39Å; Q302-V353 HydrophobicContact CG-CG1 3.61Å; Q302-S355 VanDerWaalsContact CG-O 3.3Å; Q302-S355 WeakPolarHBondContact CG-O 3.45Å; Q302-S355 PolarHBondContact NE2-O 3.23Å; Q302-Y400 HydrophobicContact CB-CD2 4.3Å; Q302-Y400 HydrophobicContact CB-CE1 4.12Å; Q302-Y400 HydrophobicContact CB-CE2 3.6Å; Q302-Y400 VanDerWaalsContact CB-CZ 3.48Å; Q302-Y400 VanDerWaalsContact CD-CE2 3.46Å; Q302-Y400 HydrophobicContact CG-CE2 4.13Å
303	K	95.6	Very high	94.1	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-34.6	175.9	-70.1	169.2	177.4	164.9	0	112.5	D237 D299 I300 L301 L306 C307 Y400 T403 F404	D237-K303 HydrophobicContact CB-CD 4.15Å; D237-K303 IonicContact OD2-NZ 2.74Å; D237-K303 PolarHBondContact OD2-NZ 3.19Å; D299-K303 PolarHBondContact O-N 3.33Å; D299-K303 VanDerWaalsContact OD1-CE 3.28Å; D299-K303 WeakPolarHBondContact OD1-CE 3.4Å; D299-K303 IonicContact OD1-NZ 2.71Å; D299-K303 WeakPolarHBondContact OD2-CE 3.45Å; D299-K303 IonicContact OD2-NZ 3.07Å; D299-K303 PolarHBondContact OD2-NZ 3.29Å; I300-K303 HydrophobicContact CD1-CB 4.48Å; I300-K303 HydrophobicContact CD1-CD 4.09Å; I300-K303 WeakPolarHBondContact O-CB 3.45Å; I300-K303 PolarHBondContact O-N 3.13Å; L301-K303 VanDerWaalsContact C-N 3.33Å; K303-L306 PolarHBondContact O-N 3.47Å; K303-C307 PolarHBondContact O-N 3.4Å; K303-C307 PolarHBondContact O-SG 3.16Å; K303-C307 VanDerWaalsContact O-SG 3.36Å; K303-Y400 WeakPolarHBondContact CG-OH 3.4Å; K303-T403 VanDerWaalsContact CE-O 3.3Å; K303-T403 WeakPolarHBondContact CE-O 3.41Å; K303-T403 PolarHBondContact NZ-O 3.43Å; K303-F404 HydrophobicContact CD-CD1 4.41Å; K303-F404 HydrophobicContact CD-CE1 4.26Å; K303-F404 HydrophobicContact CG-CE1 4.44Å
304	F	96.9	Very high	94.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-45.3	168.6	-82.9	-80.4	0	0	0	113	I238 I300 L301 Q302 L306 C307 F308 L330 P333 L334 I337 W385	I238-F304 HydrophobicContact CB-CZ 4.43Å; I238-F304 HydrophobicContact CD1-CD1 4.06Å; I238-F304 HydrophobicContact CD1-CD2 4.22Å; I238-F304 HydrophobicContact CD1-CE1 3.89Å; I238-F304 HydrophobicContact CD1-CE2 4.04Å; I238-F304 HydrophobicContact CD1-CG 4.21Å; I238-F304 HydrophobicContact CD1-CZ 3.89Å; I238-F304 HydrophobicContact CG1-CD2 4.38Å; I238-F304 HydrophobicContact CG1-CE1 4.48Å; I238-F304 HydrophobicContact CG1-CE2 3.9Å; I238-F304 HydrophobicContact CG1-CZ 3.97Å; I238-F304 HydrophobicContact CG2-CE1 4.22Å; I238-F304 HydrophobicContact CG2-CE2 4.17Å; I238-F304 HydrophobicContact CG2-CZ 3.56Å; I300-F304 HydrophobicContact CG1-CE2 4.43Å; I300-F304 WeakPolarHBondContact O-CD2 3.33Å; I300-F304 PolarHBondContact O-N 3.19Å; L301-F304 HydrophobicContact CD2-CD2 4.44Å; L301-F304 PolarHBondContact O-N 3.21Å; Q302-F304 PolarHBondContact O-N 2.76Å; F304-L306 VanDerWaalsContact C-N 3.28Å; F304-L306 PolarHBondContact O-N 3.38Å; F304-C307 WeakPolarHBondContact O-CB 3.34Å; F304-C307 PolarHBondContact O-N 3.44Å; F304-F308 WeakPolarHBondContact O-CG 3.31Å; F304-F308 PolarHBondContact O-N 3.09Å; F304-L330 HydrophobicContact CD1-CB 4.41Å; F304-L330 HydrophobicContact CD1-CD2 3.85Å; F304-L330 HydrophobicContact CE1-CB 4.25Å; F304-L330 HydrophobicContact CE1-CD2 3.64Å; F304-L330 WeakPolarHBondContact CE1-O 3.39Å; F304-P333 HydrophobicContact CE1-CG 4.26Å; F304-P333 HydrophobicContact CZ-CB 4.21Å; F304-P333 HydrophobicContact CZ-CG 4.21Å; F304-L334 HydrophobicContact CB-CD1 4.49Å; F304-L334 HydrophobicContact CD1-CB 4.09Å; F304-L334 HydrophobicContact CD1-CD1 4.16Å; F304-L334 HydrophobicContact CD1-CD2 4.45Å; F304-L334 HydrophobicContact CD1-CG 4.47Å; F304-L334 HydrophobicContact CD2-CD1 4.05Å; F304-L334 HydrophobicContact CE1-CB 3.72Å; F304-L334 HydrophobicContact CE1-CD1 4.42Å; F304-L334 HydrophobicContact CE2-CD1 4.33Å; F304-L334 HydrophobicContact CG-CD1 3.98Å; F304-L334 HydrophobicContact CZ-CB 4.04Å; F304-I337 HydrophobicContact CE2-CD1 3.57Å; F304-I337 HydrophobicContact CZ-CD1 3.96Å; F304-W385 HydrophobicContact CB-CH2 4.01Å; F304-W385 HydrophobicContact CB-CZ3 4.12Å
305	K	96.2	Very high	94	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-36.1	176.9	-60.3	-175.8	83.5	-172.3	0	111.6	L301 Q302 N309 V353 V354 P356 I358 S384 W385	L301-K305 PolarHBondContact O-N 3.26Å; Q302-K305 PolarHBondContact O-N 3.37Å; Q302-K305 VanDerWaalsContact O-N 3.17Å; K305-N309 PolarHBondContact O-N 3.22Å; K305-N309 PolarHBondContact O-ND2 3.1Å; K305-V353 HydrophobicContact CD-CG1 4Å; K305-V353 WeakPolarHBondContact CD-O 3.23Å; K305-V353 PolarHBondContact NZ-O 2.95Å; K305-V354 PolarHBondContact NZ-O 3.27Å; K305-P356 HydrophobicContact CB-CG 3.79Å; K305-P356 WeakPolarHBondContact CD-O 3.47Å; K305-P356 WeakPolarHBondContact CE-O 3.47Å; K305-P356 PolarHBondContact NZ-O 3.48Å; K305-I358 HydrophobicContact CB-CD1 3.9Å; K305-I358 HydrophobicContact CG-CD1 4.09Å; K305-S384 WeakPolarHBondContact CE-O 3.46Å; K305-S384 PolarHBondContact NZ-O 3.2Å; K305-W385 HydrophobicContact CD-CD2 4.05Å; K305-W385 HydrophobicContact CD-CE3 4.21Å; K305-W385 HydrophobicContact CD-CH2 4.19Å; K305-W385 HydrophobicContact CD-CZ2 3.99Å; K305-W385 HydrophobicContact CD-CZ3 4.29Å; K305-W385 HydrophobicContact CG-CD2 4.04Å; K305-W385 HydrophobicContact CG-CE3 3.68Å; K305-W385 HydrophobicContact CG-CH2 3.57Å; K305-W385 HydrophobicContact CG-CZ2 3.9Å; K305-W385 HydrophobicContact CG-CZ3 3.44Å; K305-W385 VanDerWaalsContact CG-CZ3 3.44Å
306	L	95.2	Very high	93.7	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.084	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-45.1	171.3	-179.5	59	0	0	0	111.7	T230 Q302 K303 F304 F308 N309 L310 P356 Y400 P402 F404	T230-L306 HydrophobicContact CG2-CD2 3.94Å; Q302-L306 PolarHBondContact O-N 2.7Å; K303-L306 PolarHBondContact O-N 3.47Å; F304-L306 VanDerWaalsContact C-N 3.28Å; F304-L306 PolarHBondContact O-N 3.38Å; L306-F308 PolarHBondContact O-N 3.49Å; L306-N309 PolarHBondContact O-N 2.79Å; L306-L310 HydrophobicContact CD1-CD1 3.94Å; L306-L310 HydrophobicContact CD1-CD2 4.44Å; L306-L310 HydrophobicContact CD1-CG 3.95Å; L306-L310 HydrophobicContact CD2-CD1 4.46Å; L306-L310 HydrophobicContact CG-CD1 3.8Å; L306-L310 HydrophobicContact CG-CG 4.25Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.34Å; L306-P356 HydrophobicContact CB-CG 4.35Å; L306-Y400 HydrophobicContact CB-CE1 4.17Å; L306-Y400 HydrophobicContact CD2-CD1 4.49Å; L306-Y400 HydrophobicContact CD2-CE1 3.95Å; L306-P402 HydrophobicContact CD2-CB 3.73Å; L306-P402 HydrophobicContact CD2-CG 3.69Å; L306-F404 HydrophobicContact CD2-CZ 4.32Å
307	C	95.9	Very high	93.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.1	-48.8	173.4	-74.7	0	0	0	0	112.2	L231 C234 K303 F304 N309 L310 L311 L330	L231-C307 HydrophobicContact CD1-CB 4.24Å; C234-C307 WeakPolarHBondContact CB-SG 3.47Å; K303-C307 PolarHBondContact O-N 3.4Å; K303-C307 PolarHBondContact O-SG 3.16Å; K303-C307 VanDerWaalsContact O-SG 3.36Å; F304-C307 WeakPolarHBondContact O-CB 3.34Å; F304-C307 PolarHBondContact O-N 3.44Å; C307-N309 VanDerWaalsContact C-N 3.29Å; C307-N309 PolarHBondContact O-N 2.85Å; C307-L310 PolarHBondContact O-N 3.41Å; C307-L311 WeakPolarHBondContact O-CB 3.36Å; C307-L311 VanDerWaalsContact O-CG 3.31Å; C307-L311 WeakPolarHBondContact O-CG 3.22Å; C307-L311 PolarHBondContact O-N 3.36Å; C307-L330 HydrophobicContact CB-CD1 3.64Å; C307-L330 HydrophobicContact CB-CD2 4.36Å
308	F	95.7	Very high	92.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-38.6	179.8	-60.6	-25.3	0	0	0	112.2	F304 L306 A312 L327 L330 F331 L334 I358 A362 L366 W385	F304-F308 WeakPolarHBondContact O-CG 3.31Å; F304-F308 PolarHBondContact O-N 3.09Å; L306-F308 PolarHBondContact O-N 3.49Å; F308-A312 WeakPolarHBondContact O-CB 3.25Å; F308-A312 PolarHBondContact O-N 3.11Å; F308-A312 VanDerWaalsContact O-N 3.17Å; F308-L327 HydrophobicContact CD1-CD1 3.45Å; F308-L327 VanDerWaalsContact CD1-CD1 3.45Å; F308-L327 HydrophobicContact CE1-CD1 3.53Å; F308-L327 HydrophobicContact CG-CD1 4.39Å; F308-L330 HydrophobicContact CD1-CD1 4.08Å; F308-L330 HydrophobicContact CE1-CB 4.1Å; F308-L330 HydrophobicContact CE1-CD1 3.94Å; F308-F331 HydrophobicContact CE1-CE2 4.03Å; F308-F331 AromaticContact CZ-CE2 3.73Å; F308-F331 HydrophobicContact CZ-CE2 3.73Å; F308-F331 HydrophobicContact CZ-CZ 4.08Å; F308-L334 HydrophobicContact CE2-CD2 4.41Å; F308-L334 HydrophobicContact CZ-CD2 3.92Å; F308-I358 HydrophobicContact CD2-CD1 4.35Å; F308-A362 HydrophobicContact CB-CB 4.42Å; F308-A362 WeakPolarHBondContact O-CB 3.42Å; F308-L366 HydrophobicContact CD2-CD1 4.34Å; F308-L366 HydrophobicContact CD2-CD2 4.33Å; F308-L366 HydrophobicContact CE2-CD2 4.35Å; F308-L366 HydrophobicContact CG-CD2 4.44Å; F308-L366 HydrophobicContact CZ-CD2 4.49Å; F308-W385 HydrophobicContact CD2-CZ3 4.47Å; F308-W385 HydrophobicContact CE2-CE3 4.16Å; F308-W385 AromaticContact CE2-CZ3 3.91Å; F308-W385 HydrophobicContact CE2-CZ3 3.91Å
309	N	95.2	Very high	91.7	Very high	21 Å²	21	34.6 Å²	34.6	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-43.5	174.6	-76.3	-24.9	0	0	0	113	K305 L306 C307 K313 L357 T359 A362	K305-N309 PolarHBondContact O-N 3.22Å; K305-N309 PolarHBondContact O-ND2 3.1Å; L306-N309 PolarHBondContact O-N 2.79Å; C307-N309 VanDerWaalsContact C-N 3.29Å; C307-N309 PolarHBondContact O-N 2.85Å; N309-K313 PolarHBondContact O-N 3.32Å; N309-K313 VanDerWaalsContact O-N 3.12Å; N309-L357 PolarHBondContact ND2-O 2.92Å; N309-T359 HydrophobicContact CB-CG2 4.39Å; N309-T359 WeakPolarHBondContact OD1-CB 3.19Å; N309-T359 WeakPolarHBondContact OD1-CG2 3.45Å; N309-T359 PolarHBondContact OD1-N 3.01Å; N309-T359 PolarHBondContact OD1-OG1 3.23Å; N309-A362 WeakPolarHBondContact OD1-CB 3.35Å
310	L	93.7	Very high	90.8	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-48	178	-67.8	172.5	0	0	0	111.2	D227 T230 L231 L306 C307 A312 K313 L314	D227-L310 HydrophobicContact CB-CD2 3.83Å; D227-L310 WeakPolarHBondContact OD1-CD2 3.46Å; T230-L310 HydrophobicContact CG2-CD1 3.75Å; L231-L310 HydrophobicContact CB-CB 4.36Å; L231-L310 HydrophobicContact CB-CD1 3.99Å; L231-L310 HydrophobicContact CD1-CB 4.24Å; L306-L310 HydrophobicContact CD1-CD1 3.94Å; L306-L310 HydrophobicContact CD1-CD2 4.44Å; L306-L310 HydrophobicContact CD1-CG 3.95Å; L306-L310 HydrophobicContact CD2-CD1 4.46Å; L306-L310 HydrophobicContact CG-CD1 3.8Å; L306-L310 HydrophobicContact CG-CG 4.25Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.34Å; C307-L310 PolarHBondContact O-N 3.41Å; L310-A312 VanDerWaalsContact C-N 3.27Å; L310-A312 PolarHBondContact O-N 3.19Å; L310-K313 PolarHBondContact O-N 3.04Å; L310-K313 VanDerWaalsContact O-N 3.08Å; L310-L314 HydrophobicContact CB-CD1 4.25Å; L310-L314 VanDerWaalsContact O-CB 3.32Å; L310-L314 WeakPolarHBondContact O-CB 3.04Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 3.44Å
311	L	93.8	Very high	90.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-42.7	175.8	-72.5	176.4	0	0	0	111.8	L231 C307 K313 L314 K315 A323 L326 L327 L330 L365	L231-L311 HydrophobicContact CD1-CD2 4.31Å; L231-L311 HydrophobicContact CD1-CG 4.27Å; L231-L311 HydrophobicContact CD2-CD2 3.79Å; L231-L311 HydrophobicContact CD2-CG 4.49Å; C307-L311 WeakPolarHBondContact O-CB 3.36Å; C307-L311 VanDerWaalsContact O-CG 3.31Å; C307-L311 WeakPolarHBondContact O-CG 3.22Å; C307-L311 PolarHBondContact O-N 3.36Å; L311-K313 PolarHBondContact O-N 3.34Å; L311-L314 PolarHBondContact O-N 3.23Å; L311-K315 WeakPolarHBondContact O-CA 3.25Å; L311-K315 VanDerWaalsContact O-CB 3.31Å; L311-K315 WeakPolarHBondContact O-CB 3.45Å; L311-K315 PolarHBondContact O-N 2.99Å; L311-A323 HydrophobicContact CB-CB 4.48Å; L311-A323 HydrophobicContact CD2-CB 4.4Å; L311-L326 HydrophobicContact CD1-CB 4.04Å; L311-L326 HydrophobicContact CD2-CB 3.63Å; L311-L326 HydrophobicContact CD2-CD1 3.62Å; L311-L326 HydrophobicContact CD2-CG 4.26Å; L311-L327 HydrophobicContact CD1-CB 4.48Å; L311-L330 HydrophobicContact CD1-CD1 3.6Å; L311-L365 HydrophobicContact CB-CD2 4.28Å
312	A	93.4	Very high	89.5	Confident	5 Å²	5	42.8 Å²	42.8	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-71.9	-26	179.3	0	0	0	0	0	114.6	F308 L310 A361 A362 L365	F308-A312 WeakPolarHBondContact O-CB 3.25Å; F308-A312 PolarHBondContact O-N 3.11Å; F308-A312 VanDerWaalsContact O-N 3.17Å; L310-A312 VanDerWaalsContact C-N 3.27Å; L310-A312 PolarHBondContact O-N 3.19Å; A312-A361 HydrophobicContact CB-CB 4.03Å; A312-A362 HydrophobicContact CB-CB 3.77Å; A312-L365 HydrophobicContact CB-CB 4.35Å; A312-L365 HydrophobicContact CB-CD2 4.18Å
313	K	91.5	Very high	89.2	Confident	119 Å²	119	41.4 Å²	41.4	52%	0.517	20%	0.198	S	C	.	.	H	α-helix	trans	-76.7	-40	171.3	-171.9	179.2	178.4	-170.4	0	111.4	D227 N309 L310 L311	D227-K313 IonicContact OD1-NZ 3.41Å; D227-K313 VanDerWaalsContact OD2-CD 3.27Å; D227-K313 WeakPolarHBondContact OD2-CD 3.15Å; D227-K313 WeakPolarHBondContact OD2-CE 3.46Å; D227-K313 IonicContact OD2-NZ 3.26Å; D227-K313 PolarHBondContact OD2-NZ 3.17Å; N309-K313 PolarHBondContact O-N 3.32Å; N309-K313 VanDerWaalsContact O-N 3.12Å; L310-K313 PolarHBondContact O-N 3.04Å; L310-K313 VanDerWaalsContact O-N 3.08Å; L311-K313 PolarHBondContact O-N 3.34Å
314	L	89.3	Confident	88.9	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-91.1	-8	-172.9	-58.6	170.7	0	0	0	114.1	F224 D227 V228 L231 L310 L311 N316 H317 I318	F224-L314 HydrophobicContact CD2-CD2 3.43Å; F224-L314 VanDerWaalsContact CD2-CD2 3.43Å; F224-L314 HydrophobicContact CE2-CD2 3.4Å; F224-L314 HydrophobicContact CZ-CD2 4.48Å; D227-L314 HydrophobicContact CB-CD1 4.14Å; D227-L314 HydrophobicContact CB-CD2 3.87Å; D227-L314 HydrophobicContact CB-CG 4.36Å; V228-L314 HydrophobicContact CG2-CD1 4.03Å; V228-L314 HydrophobicContact CG2-CD2 4.03Å; L231-L314 HydrophobicContact CB-CD1 4.48Å; L231-L314 HydrophobicContact CD2-CD1 3.96Å; L310-L314 HydrophobicContact CB-CD1 4.25Å; L310-L314 VanDerWaalsContact O-CB 3.32Å; L310-L314 WeakPolarHBondContact O-CB 3.04Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 3.44Å; L311-L314 PolarHBondContact O-N 3.23Å; L314-N316 PolarHBondContact O-N 3.11Å; L314-H317 WeakPolarHBondContact O-CA 3.48Å; L314-H317 WeakPolarHBondContact O-CB 3.35Å; L314-H317 PolarHBondContact O-N 2.84Å; L314-I318 HydrophobicContact CB-CD1 3.7Å; L314-I318 HydrophobicContact CB-CG1 4Å; L314-I318 HydrophobicContact CD1-CD1 4.09Å; L314-I318 PolarHBondContact O-N 3.04Å
315	K	88	Confident	88.5	Confident	99 Å²	99	47.1 Å²	47.1	43%	0.43	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-23.3	-171.4	65.6	174.4	-169.8	169.4	0	117.4	L311 H317 A323	L311-K315 WeakPolarHBondContact O-CA 3.25Å; L311-K315 VanDerWaalsContact O-CB 3.31Å; L311-K315 WeakPolarHBondContact O-CB 3.45Å; L311-K315 PolarHBondContact O-N 2.99Å; K315-H317 VanDerWaalsContact C-N 3.33Å; K315-A323 HydrophobicContact CB-CB 3.69Å
316	N	85.4	Confident	88.2	Confident	116 Å²	116	47.4 Å²	47.4	62%	0.62	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.9	178.7	-65.7	-5.5	0	0	0	112.6	L314 H319	L314-N316 PolarHBondContact O-N 3.11Å; N316-H319 PolarHBondContact O-NE2 3.48Å
317	H	80.8	Confident	88.1	Confident	113 Å²	113	46.7 Å²	46.7	52%	0.523	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-14.6	-168.3	-52.7	-88.9	0	0	0	113.5	F224 L314 K315	F224-H317 HydrophobicContact CD2-CB 4.39Å; F224-H317 HydrophobicContact CE2-CB 3.31Å; F224-H317 AromaticContact CE2-CD2 3.93Å; F224-H317 AromaticContact CE2-CG 3.55Å; F224-H317 HydrophobicContact CZ-CB 3.5Å; F224-H317 VanDerWaalsContact CZ-CB 3.5Å; L314-H317 WeakPolarHBondContact O-CA 3.48Å; L314-H317 WeakPolarHBondContact O-CB 3.35Å; L314-H317 PolarHBondContact O-N 2.84Å; K315-H317 VanDerWaalsContact C-N 3.33Å
318	I	82.6	Confident	87.8	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.082	24%	0.24	C	C	.	.			trans	-110.8	117.6	175	-38.7	177.2	0	0	0	108.2	L231 L314 P321 L326	L231-I318 HydrophobicContact CD2-CD1 3.88Å; L314-I318 HydrophobicContact CB-CD1 3.7Å; L314-I318 HydrophobicContact CB-CG1 4Å; L314-I318 HydrophobicContact CD1-CD1 4.09Å; L314-I318 PolarHBondContact O-N 3.04Å; I318-P321 CarbonylContact C-O 3.49Å; I318-P321 WeakPolarHBondContact CG2-O 3.34Å; I318-L326 HydrophobicContact CD1-CD1 4.46Å; I318-L326 HydrophobicContact CG2-CD1 4.17Å
319	H	75.6	Confident	87.6	Confident	128 Å²	128	54 Å²	54	59%	0.593	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-122	-29.6	-169.8	-67.6	-83.8	0	0	0	114.5	N316 P321 N322	N316-H319 PolarHBondContact O-NE2 3.48Å; H319-P321 CarbonylContact C-O 3.55Å; H319-P321 VanDerWaalsContact C-O 3.25Å; H319-P321 PolarHBondContact N-O 3.37Å; H319-P321 CarbonylContact O-C 3.33Å; H319-N322 PolarHBondContact O-N 3.36Å
320	E	74.4	Confident	87.5	Confident	161 Å²	161	53.1 Å²	53.1	75%	0.752	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	95.6	177.9	-67.5	-178.8	-167.8	0	0	110.3
321	P	80.2	Confident	87.4	Confident	9 Å²	9	53 Å²	53	6%	0.058	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	cis	-63.4	162.2	-10.2	34.9	-44.2	0	0	0	112.8	I318 H319 E325 L326 Y748	I318-P321 CarbonylContact C-O 3.49Å; I318-P321 WeakPolarHBondContact CG2-O 3.34Å; H319-P321 CarbonylContact C-O 3.55Å; H319-P321 VanDerWaalsContact C-O 3.25Å; H319-P321 PolarHBondContact N-O 3.37Å; H319-P321 CarbonylContact O-C 3.33Å; P321-E325 VanDerWaalsContact CA-OE2 3.31Å; P321-E325 WeakPolarHBondContact CA-OE2 3.23Å; P321-E325 HydrophobicContact CB-CB 4.07Å; P321-E325 WeakPolarHBondContact CB-OE2 3.47Å; P321-L326 HydrophobicContact CB-CD2 4.48Å; P321-L326 HydrophobicContact CB-CG 4.1Å; P321-L326 HydrophobicContact CG-CD1 3.83Å; P321-L326 HydrophobicContact CG-CD2 3.62Å; P321-L326 HydrophobicContact CG-CG 3.52Å; P321-Y748 HydrophobicContact CB-CE1 4.05Å; P321-Y748 HydrophobicContact CB-CE2 4.22Å; P321-Y748 VanDerWaalsContact CB-OH 3.31Å; P321-Y748 WeakPolarHBondContact CB-OH 3.38Å; P321-Y748 HydrophobicContact CG-CD2 4.4Å; P321-Y748 HydrophobicContact CG-CE1 4.24Å; P321-Y748 HydrophobicContact CG-CE2 3.52Å; P321-Y748 VanDerWaalsContact CG-CZ 3.43Å; P321-Y748 VanDerWaalsContact CG-OH 3.3Å; P321-Y748 WeakPolarHBondContact CG-OH 3.36Å
322	N	84.6	Confident	87.2	Confident	50 Å²	50	55.4 Å²	55.4	27%	0.267	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-82.5	165.6	169.6	57.4	65.2	0	0	0	112.2	H319 P324 E325 L326	H319-N322 PolarHBondContact O-N 3.36Å; N322-P324 VanDerWaalsContact OD1-CD 3.27Å; N322-P324 WeakPolarHBondContact OD1-CD 3.44Å; N322-E325 PolarHBondContact N-OE2 3.13Å; N322-E325 PolarHBondContact ND2-OE1 3.32Å; N322-E325 PolarHBondContact ND2-OE2 3.47Å; N322-E325 WeakPolarHBondContact O-CB 3.28Å; N322-E325 PolarHBondContact O-N 3.09Å; N322-E325 WeakPolarHBondContact OD1-CG 3.47Å; N322-E325 PolarHBondContact OD1-N 3.48Å; N322-L326 PolarHBondContact O-N 3.07Å
323	A	88.4	Confident	87	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-36.6	-179.6	0	0	0	0	0	114.9	L311 K315 L327	L311-A323 HydrophobicContact CB-CB 4.48Å; L311-A323 HydrophobicContact CD2-CB 4.4Å; K315-A323 HydrophobicContact CB-CB 3.69Å; A323-L327 WeakPolarHBondContact O-CB 3.41Å; A323-L327 PolarHBondContact O-N 3.03Å
324	P	89.8	Confident	87.1	Confident	44 Å²	44	49.9 Å²	49.9	29%	0.286	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-43.4	168.7	-27.8	35.5	0	0	0	114.2	N322 L327 H328 C369	N322-P324 VanDerWaalsContact OD1-CD 3.27Å; N322-P324 WeakPolarHBondContact OD1-CD 3.44Å; P324-L327 VanDerWaalsContact O-CB 3.3Å; P324-L327 WeakPolarHBondContact O-CB 3.29Å; P324-L327 PolarHBondContact O-N 3.11Å; P324-H328 PolarHBondContact O-CD2 2.86Å; P324-H328 PolarHBondContact O-N 2.78Å; P324-C369 HydrophobicContact CB-CB 4.28Å
325	E	88.3	Confident	87.2	Confident	82 Å²	82	51 Å²	51	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-51.4	173.8	-81.4	161.7	-158.9	0	0	111.6	P321 N322 L327 H328 F329	P321-E325 VanDerWaalsContact CA-OE2 3.31Å; P321-E325 WeakPolarHBondContact CA-OE2 3.23Å; P321-E325 HydrophobicContact CB-CB 4.07Å; P321-E325 WeakPolarHBondContact CB-OE2 3.47Å; N322-E325 PolarHBondContact N-OE2 3.13Å; N322-E325 PolarHBondContact ND2-OE1 3.32Å; N322-E325 PolarHBondContact ND2-OE2 3.47Å; N322-E325 WeakPolarHBondContact O-CB 3.28Å; N322-E325 PolarHBondContact O-N 3.09Å; N322-E325 WeakPolarHBondContact OD1-CG 3.47Å; N322-E325 PolarHBondContact OD1-N 3.48Å; E325-L327 PolarHBondContact O-N 3.12Å; E325-H328 PolarHBondContact O-N 3.45Å; E325-H328 VanDerWaalsContact O-N 3.09Å; E325-F329 VanDerWaalsContact C-CD2 3.49Å; E325-F329 HydrophobicContact CB-CD2 4.36Å; E325-F329 HydrophobicContact CB-CE2 4Å; E325-F329 WeakPolarHBondContact O-CD2 3.35Å; E325-F329 PolarHBondContact O-N 3.12Å
326	L	90.7	Very high	87.2	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-57.1	-31.4	174.9	-74.6	168.6	0	0	0	112.7	F235 L311 I318 P321 N322 L330 Y748	F235-L326 HydrophobicContact CE2-CD2 4.06Å; F235-L326 HydrophobicContact CZ-CD2 3.75Å; L311-L326 HydrophobicContact CD1-CB 4.04Å; L311-L326 HydrophobicContact CD2-CB 3.63Å; L311-L326 HydrophobicContact CD2-CD1 3.62Å; L311-L326 HydrophobicContact CD2-CG 4.26Å; I318-L326 HydrophobicContact CD1-CD1 4.46Å; I318-L326 HydrophobicContact CG2-CD1 4.17Å; P321-L326 HydrophobicContact CB-CD2 4.48Å; P321-L326 HydrophobicContact CB-CG 4.1Å; P321-L326 HydrophobicContact CG-CD1 3.83Å; P321-L326 HydrophobicContact CG-CD2 3.62Å; P321-L326 HydrophobicContact CG-CG 3.52Å; N322-L326 PolarHBondContact O-N 3.07Å; L326-L330 WeakPolarHBondContact O-CG 3.22Å; L326-L330 PolarHBondContact O-N 3.4Å; L326-Y748 HydrophobicContact CD2-CE2 4.07Å; L326-Y748 WeakPolarHBondContact CD2-OH 3.36Å
327	L	92.1	Very high	87.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-49.7	174.1	-173.2	68.7	0	0	0	111.1	F308 L311 A323 P324 E325 F329 L330 F331 L365 L366 C369 L370	F308-L327 HydrophobicContact CD1-CD1 3.45Å; F308-L327 VanDerWaalsContact CD1-CD1 3.45Å; F308-L327 HydrophobicContact CE1-CD1 3.53Å; F308-L327 HydrophobicContact CG-CD1 4.39Å; L311-L327 HydrophobicContact CD1-CB 4.48Å; A323-L327 WeakPolarHBondContact O-CB 3.41Å; A323-L327 PolarHBondContact O-N 3.03Å; P324-L327 VanDerWaalsContact O-CB 3.3Å; P324-L327 WeakPolarHBondContact O-CB 3.29Å; P324-L327 PolarHBondContact O-N 3.11Å; E325-L327 PolarHBondContact O-N 3.12Å; L327-F329 VanDerWaalsContact C-N 3.32Å; L327-F329 PolarHBondContact O-N 3.35Å; L327-L330 WeakPolarHBondContact O-CB 3.3Å; L327-L330 PolarHBondContact O-N 3.04Å; L327-L330 VanDerWaalsContact O-N 3.07Å; L327-F331 HydrophobicContact CD1-CE2 4.23Å; L327-F331 HydrophobicContact CG-CE2 4.39Å; L327-F331 WeakPolarHBondContact O-CD2 3.5Å; L327-F331 PolarHBondContact O-N 2.68Å; L327-L365 HydrophobicContact CD2-CD2 4.46Å; L327-L365 HydrophobicContact CD2-CG 4.25Å; L327-L366 HydrophobicContact CD1-CD2 3.87Å; L327-L366 HydrophobicContact CD2-CD2 4.27Å; L327-C369 HydrophobicContact CD2-CB 3.95Å; L327-L370 HydrophobicContact CD2-CD2 3.68Å; L327-L370 HydrophobicContact CD2-CG 4.39Å; L327-L370 HydrophobicContact CG-CD2 3.9Å
328	H	91.1	Very high	88	Confident	62 Å²	62	36.2 Å²	36.2	29%	0.287	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-43.2	175.7	-67.9	-61	0	0	0	112.1	P324 E325 L330 F331 C369 E374	P324-H328 PolarHBondContact O-CD2 2.86Å; P324-H328 PolarHBondContact O-N 2.78Å; E325-H328 PolarHBondContact O-N 3.45Å; E325-H328 VanDerWaalsContact O-N 3.09Å; H328-L330 PolarHBondContact O-N 3.38Å; H328-F331 PolarHBondContact O-N 3.48Å; H328-C369 PolarHBondContact CE1-O 2.86Å; H328-C369 PolarHBondContact NE2-O 2.95Å; H328-E374 WeakPolarHBondContact CA-OE1 3.31Å; H328-E374 IonicContact CE1-OE1 3.85Å; H328-E374 IonicContact CE1-OE2 3.44Å; H328-E374 PolarHBondContact CE1-OE2 3.43Å; H328-E374 VanDerWaalsContact CE1-OE2 3.32Å; H328-E374 IonicContact CG-OE1 3.32Å; H328-E374 VanDerWaalsContact ND1-CD 3.28Å; H328-E374 IonicContact ND1-OE1 2.72Å; H328-E374 PolarHBondContact ND1-OE1 2.65Å; H328-E374 IonicContact ND1-OE2 3.17Å; H328-E374 PolarHBondContact ND1-OE2 2.95Å
329	F	90	Very high	88.3	Confident	94 Å²	94	38.7 Å²	38.7	41%	0.412	20%	0.197	S	C	.	.	H	α-helix	trans	-65	-19.7	177.3	-65.2	-59.3	0	0	0	113.8	E325 L327 P333 Y748	E325-F329 VanDerWaalsContact C-CD2 3.49Å; E325-F329 HydrophobicContact CB-CD2 4.36Å; E325-F329 HydrophobicContact CB-CE2 4Å; E325-F329 WeakPolarHBondContact O-CD2 3.35Å; E325-F329 PolarHBondContact O-N 3.12Å; L327-F329 VanDerWaalsContact C-N 3.32Å; L327-F329 PolarHBondContact O-N 3.35Å; F329-P333 WeakPolarHBondContact O-CD 3.34Å; F329-Y748 HydrophobicContact CD2-CE1 4.21Å; F329-Y748 AromaticContact CD2-CZ 3.93Å; F329-Y748 WeakPolarHBondContact CD2-OH 3.26Å; F329-Y748 AromaticContact CE2-CE1 3.72Å; F329-Y748 HydrophobicContact CE2-CE1 3.72Å; F329-Y748 AromaticContact CE2-CZ 3.89Å; F329-Y748 WeakPolarHBondContact CE2-OH 3.23Å; F329-Y748 HydrophobicContact CZ-CE1 4.23Å
330	L	93	Very high	88.8	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-79.1	-25.3	170.8	-77.3	164.7	0	0	0	113.4	F235 I238 F304 C307 F308 L311 L326 L327 H328 P333 L334	F235-L330 HydrophobicContact CD1-CD2 4.12Å; F235-L330 HydrophobicContact CE1-CD1 4.14Å; F235-L330 HydrophobicContact CE1-CD2 3.76Å; F235-L330 HydrophobicContact CE1-CG 3.95Å; I238-L330 HydrophobicContact CD1-CD2 3.83Å; F304-L330 HydrophobicContact CD1-CB 4.41Å; F304-L330 HydrophobicContact CD1-CD2 3.85Å; F304-L330 HydrophobicContact CE1-CB 4.25Å; F304-L330 HydrophobicContact CE1-CD2 3.64Å; F304-L330 WeakPolarHBondContact CE1-O 3.39Å; C307-L330 HydrophobicContact CB-CD1 3.64Å; C307-L330 HydrophobicContact CB-CD2 4.36Å; F308-L330 HydrophobicContact CD1-CD1 4.08Å; F308-L330 HydrophobicContact CE1-CB 4.1Å; F308-L330 HydrophobicContact CE1-CD1 3.94Å; L311-L330 HydrophobicContact CD1-CD1 3.6Å; L326-L330 WeakPolarHBondContact O-CG 3.22Å; L326-L330 PolarHBondContact O-N 3.4Å; L327-L330 WeakPolarHBondContact O-CB 3.3Å; L327-L330 PolarHBondContact O-N 3.04Å; L327-L330 VanDerWaalsContact O-N 3.07Å; H328-L330 PolarHBondContact O-N 3.38Å; L330-P333 VanDerWaalsContact O-CD 3.31Å; L330-P333 WeakPolarHBondContact O-CD 3.45Å; L330-P333 WeakPolarHBondContact O-CG 3.5Å; L330-L334 WeakPolarHBondContact O-CB 3.47Å; L330-L334 PolarHBondContact O-N 3.26Å; L330-L334 VanDerWaalsContact O-N 3.08Å
331	F	93.3	Very high	89.5	Confident	5 Å²	5	25 Å²	25	2%	0.022	13%	0.133	C	C	.	.	H	α-helix	trans	-73.1	-30.6	-177.6	-90.6	-96.7	0	0	0	113.6	F308 L327 H328 L334 A335 L366 L370 E374 I377 W378	F308-F331 HydrophobicContact CE1-CE2 4.03Å; F308-F331 AromaticContact CZ-CE2 3.73Å; F308-F331 HydrophobicContact CZ-CE2 3.73Å; F308-F331 HydrophobicContact CZ-CZ 4.08Å; L327-F331 HydrophobicContact CD1-CE2 4.23Å; L327-F331 HydrophobicContact CG-CE2 4.39Å; L327-F331 WeakPolarHBondContact O-CD2 3.5Å; L327-F331 PolarHBondContact O-N 2.68Å; H328-F331 PolarHBondContact O-N 3.48Å; F331-L334 HydrophobicContact CD1-CD2 4.37Å; F331-L334 HydrophobicContact CE1-CD2 4.18Å; F331-L334 HydrophobicContact CZ-CD2 4.37Å; F331-A335 WeakPolarHBondContact O-CB 3.28Å; F331-A335 PolarHBondContact O-N 2.83Å; F331-L366 HydrophobicContact CE2-CD2 4.15Å; F331-L366 HydrophobicContact CZ-CD2 4.2Å; F331-L370 HydrophobicContact CD2-CD2 3.76Å; F331-L370 HydrophobicContact CE1-CD1 4.23Å; F331-L370 HydrophobicContact CE2-CD1 4.07Å; F331-L370 HydrophobicContact CE2-CD2 3.36Å; F331-L370 HydrophobicContact CE2-CG 4.36Å; F331-L370 HydrophobicContact CZ-CD1 3.61Å; F331-L370 HydrophobicContact CZ-CD2 3.78Å; F331-L370 HydrophobicContact CZ-CG 4.36Å; F331-E374 HydrophobicContact CB-CB 4.43Å; F331-E374 HydrophobicContact CB-CG 3.79Å; F331-E374 HydrophobicContact CD1-CB 3.64Å; F331-E374 HydrophobicContact CD1-CG 3.93Å; F331-E374 HydrophobicContact CD2-CB 4.48Å; F331-E374 HydrophobicContact CE1-CB 4.01Å; F331-E374 VanDerWaalsContact CE1-O 3.23Å; F331-E374 WeakPolarHBondContact CE1-O 3.4Å; F331-E374 HydrophobicContact CG-CB 3.9Å; F331-E374 HydrophobicContact CG-CG 3.81Å; F331-I377 HydrophobicContact CD1-CB 4.17Å; F331-I377 HydrophobicContact CD1-CG2 3.97Å; F331-I377 HydrophobicContact CE1-CB 4.24Å; F331-I377 HydrophobicContact CE1-CG2 4.04Å; F331-W378 HydrophobicContact CE1-CB 4.05Å; F331-W378 HydrophobicContact CZ-CB 4.11Å
332	T	87.9	Confident	89.8	Confident	49 Å²	49	28.9 Å²	28.9	30%	0.301	15%	0.151	S	C	.	.	H	α-helix	trans	-59.6	-56.3	172.6	-65.1	0	0	0	0	113.1	A335 I336	T332-A335 PolarHBondContact O-N 3.5Å; T332-I336 HydrophobicContact CG2-CD1 4.37Å; T332-I336 WeakPolarHBondContact O-CG1 3.41Å; T332-I336 PolarHBondContact O-N 3.16Å
333	P	91	Very high	89.7	Confident	8 Å²	8	30.9 Å²	30.9	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-31.7	176.9	27.2	-34.3	0	0	0	112.8	I238 V242 F304 F329 L330 I336 I337	I238-P333 HydrophobicContact CG2-CB 3.95Å; I238-P333 HydrophobicContact CG2-CG 4.08Å; V242-P333 HydrophobicContact CG2-CB 3.6Å; F304-P333 HydrophobicContact CE1-CG 4.26Å; F304-P333 HydrophobicContact CZ-CB 4.21Å; F304-P333 HydrophobicContact CZ-CG 4.21Å; F329-P333 WeakPolarHBondContact O-CD 3.34Å; L330-P333 VanDerWaalsContact O-CD 3.31Å; L330-P333 WeakPolarHBondContact O-CD 3.45Å; L330-P333 WeakPolarHBondContact O-CG 3.5Å; P333-I336 PolarHBondContact O-N 3.33Å; P333-I337 WeakPolarHBondContact O-CB 3.33Å; P333-I337 WeakPolarHBondContact O-CG1 3.47Å; P333-I337 PolarHBondContact O-N 2.98Å
334	L	93.7	Very high	89.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-44.7	175.2	-179.2	57.3	0	0	0	111.8	L301 F304 F308 L330 F331 I337 V338 L381 W385	L301-L334 HydrophobicContact CD2-CD1 3.74Å; F304-L334 HydrophobicContact CB-CD1 4.49Å; F304-L334 HydrophobicContact CD1-CB 4.09Å; F304-L334 HydrophobicContact CD1-CD1 4.16Å; F304-L334 HydrophobicContact CD1-CD2 4.45Å; F304-L334 HydrophobicContact CD1-CG 4.47Å; F304-L334 HydrophobicContact CD2-CD1 4.05Å; F304-L334 HydrophobicContact CE1-CB 3.72Å; F304-L334 HydrophobicContact CE1-CD1 4.42Å; F304-L334 HydrophobicContact CE2-CD1 4.33Å; F304-L334 HydrophobicContact CG-CD1 3.98Å; F304-L334 HydrophobicContact CZ-CB 4.04Å; F308-L334 HydrophobicContact CE2-CD2 4.41Å; F308-L334 HydrophobicContact CZ-CD2 3.92Å; L330-L334 WeakPolarHBondContact O-CB 3.47Å; L330-L334 PolarHBondContact O-N 3.26Å; L330-L334 VanDerWaalsContact O-N 3.08Å; F331-L334 HydrophobicContact CD1-CD2 4.37Å; F331-L334 HydrophobicContact CE1-CD2 4.18Å; F331-L334 HydrophobicContact CZ-CD2 4.37Å; L334-I337 PolarHBondContact O-N 3.15Å; L334-V338 HydrophobicContact CD1-CG2 4.04Å; L334-V338 HydrophobicContact CG-CG2 4.48Å; L334-V338 WeakPolarHBondContact O-CB 3.34Å; L334-V338 VanDerWaalsContact O-CG2 3.26Å; L334-V338 WeakPolarHBondContact O-CG2 3.26Å; L334-V338 PolarHBondContact O-N 3.42Å; L334-L381 HydrophobicContact CD2-CD1 4.1Å; L334-W385 HydrophobicContact CD1-CH2 4.4Å
335	A	90.9	Very high	89.3	Confident	26 Å²	26	33 Å²	33	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-47.1	175.9	0	0	0	0	0	111.8	F331 T332 I337 V338 D339 I377	F331-A335 WeakPolarHBondContact O-CB 3.28Å; F331-A335 PolarHBondContact O-N 2.83Å; T332-A335 PolarHBondContact O-N 3.5Å; A335-I337 VanDerWaalsContact C-N 3.3Å; A335-I337 PolarHBondContact O-N 2.77Å; A335-V338 PolarHBondContact O-N 3.4Å; A335-D339 PolarHBondContact O-N 3.38Å; A335-I377 HydrophobicContact CB-CD1 4.17Å
336	I	88	Confident	89	Confident	11 Å²	11	32.7 Å²	32.7	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-43.4	177.1	-68.6	166.7	0	0	0	111.2	V242 T332 P333 A340 L763	V242-I336 HydrophobicContact CG1-CG2 4.47Å; T332-I336 HydrophobicContact CG2-CD1 4.37Å; T332-I336 WeakPolarHBondContact O-CG1 3.41Å; T332-I336 PolarHBondContact O-N 3.16Å; P333-I336 PolarHBondContact O-N 3.33Å; I336-A340 VanDerWaalsContact O-CB 3.24Å; I336-A340 WeakPolarHBondContact O-CB 3.44Å; I336-A340 PolarHBondContact O-N 3.23Å; I336-L763 HydrophobicContact CG2-CD2 3.67Å
337	I	91.3	Very high	88.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.2	-38.9	-179.9	-72.9	168.5	0	0	0	111.7	F241 V242 I245 F297 I300 L301 F304 P333 L334 A335 A340 C341	F241-I337 HydrophobicContact CD1-CD1 3.71Å; F241-I337 HydrophobicContact CD1-CG1 3.9Å; F241-I337 HydrophobicContact CE1-CD1 4.23Å; F241-I337 HydrophobicContact CE1-CG1 4.07Å; F241-I337 HydrophobicContact CE1-CG2 4.25Å; V242-I337 HydrophobicContact CG2-CD1 3.86Å; V242-I337 HydrophobicContact CG2-CG1 4.16Å; I245-I337 HydrophobicContact CD1-CG1 3.85Å; F297-I337 HydrophobicContact CD1-CG2 3.97Å; F297-I337 HydrophobicContact CE1-CG2 4.16Å; I300-I337 HydrophobicContact CG1-CD1 4.39Å; I300-I337 HydrophobicContact CG2-CD1 4.31Å; I300-I337 HydrophobicContact CG2-CG2 4.07Å; L301-I337 HydrophobicContact CD2-CG2 4.14Å; L301-I337 HydrophobicContact CG-CG2 4.39Å; F304-I337 HydrophobicContact CE2-CD1 3.57Å; F304-I337 HydrophobicContact CZ-CD1 3.96Å; P333-I337 WeakPolarHBondContact O-CB 3.33Å; P333-I337 WeakPolarHBondContact O-CG1 3.47Å; P333-I337 PolarHBondContact O-N 2.98Å; L334-I337 PolarHBondContact O-N 3.15Å; A335-I337 VanDerWaalsContact C-N 3.3Å; A335-I337 PolarHBondContact O-N 2.77Å; I337-A340 PolarHBondContact O-N 3.43Å; I337-C341 PolarHBondContact O-N 2.94Å; I337-C341 PolarHBondContact O-SG 2.88Å
338	V	90.8	Very high	88.6	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-70.4	-38.1	179.5	168.8	0	0	0	0	112	L301 L334 A335 C341 Q342 L381	L301-V338 HydrophobicContact CD2-CG2 4.42Å; L334-V338 HydrophobicContact CD1-CG2 4.04Å; L334-V338 HydrophobicContact CG-CG2 4.48Å; L334-V338 WeakPolarHBondContact O-CB 3.34Å; L334-V338 VanDerWaalsContact O-CG2 3.26Å; L334-V338 WeakPolarHBondContact O-CG2 3.26Å; L334-V338 PolarHBondContact O-N 3.42Å; A335-V338 PolarHBondContact O-N 3.4Å; V338-C341 WeakPolarHBondContact O-CB 3.48Å; V338-C341 PolarHBondContact O-N 3.03Å; V338-Q342 WeakPolarHBondContact O-CG 3.17Å; V338-Q342 PolarHBondContact O-N 2.67Å; V338-Q342 VanDerWaalsContact O-N 3.15Å; V338-Q342 PolarHBondContact O-NE2 3.05Å; V338-L381 HydrophobicContact CG1-CD2 4.33Å; V338-L381 HydrophobicContact CG2-CD2 3.68Å
339	D	88.2	Confident	88.6	Confident	69 Å²	69	36.3 Å²	36.3	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-71.3	-37.7	173.3	-84.7	12.1	0	0	0	111.6	A335 C341 Q342 W343 H764	A335-D339 PolarHBondContact O-N 3.38Å; D339-C341 PolarHBondContact O-N 2.7Å; D339-Q342 PolarHBondContact O-N 2.95Å; D339-Q342 PolarHBondContact OD1-NE2 3.17Å; D339-W343 WeakPolarHBondContact O-CB 3.11Å; D339-W343 PolarHBondContact O-N 3.06Å; D339-H764 IonicContact OD2-CD2 3.52Å; D339-H764 IonicContact OD2-NE2 2.92Å
340	A	87.7	Confident	88.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-37.6	171.3	0	0	0	0	0	112.7	I245 F297 I336 I337 W343 A344	I245-A340 HydrophobicContact CD1-CB 3.96Å; I245-A340 HydrophobicContact CG2-CB 4.13Å; F297-A340 HydrophobicContact CE1-CB 4.02Å; F297-A340 HydrophobicContact CZ-CB 4.03Å; I336-A340 VanDerWaalsContact O-CB 3.24Å; I336-A340 WeakPolarHBondContact O-CB 3.44Å; I336-A340 PolarHBondContact O-N 3.23Å; I337-A340 PolarHBondContact O-N 3.43Å; A340-W343 PolarHBondContact O-N 3.48Å; A340-A344 VanDerWaalsContact O-CB 3.23Å; A340-A344 WeakPolarHBondContact O-CB 3.4Å; A340-A344 PolarHBondContact O-N 2.91Å
341	C	88.1	Confident	88.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-52.5	172.3	-70.8	0	0	0	0	111.7	F297 I337 V338 D339 W343 A344 F345 R347 I349	F297-C341 WeakPolarHBondContact CD1-SG 3.43Å; I337-C341 PolarHBondContact O-N 2.94Å; I337-C341 PolarHBondContact O-SG 2.88Å; V338-C341 WeakPolarHBondContact O-CB 3.48Å; V338-C341 PolarHBondContact O-N 3.03Å; D339-C341 PolarHBondContact O-N 2.7Å; C341-W343 PolarHBondContact O-N 3.16Å; C341-A344 PolarHBondContact O-N 3.01Å; C341-F345 WeakPolarHBondContact O-CD2 3.22Å; C341-F345 PolarHBondContact O-N 3.06Å; C341-R347 CarbonylContact C-O 3.55Å; C341-I349 HydrophobicContact CB-CD1 4.42Å
342	Q	87	Confident	88.6	Confident	91 Å²	91	39.1 Å²	39.1	43%	0.425	22%	0.22	S	C	.	.	H	α-helix	trans	-59.2	-40	-178.5	-73.4	173	85.8	0	0	111.4	V338 D339 G346	V338-Q342 WeakPolarHBondContact O-CG 3.17Å; V338-Q342 PolarHBondContact O-N 2.67Å; V338-Q342 VanDerWaalsContact O-N 3.15Å; V338-Q342 PolarHBondContact O-NE2 3.05Å; D339-Q342 PolarHBondContact O-N 2.95Å; D339-Q342 PolarHBondContact OD1-NE2 3.17Å; Q342-G346 WeakPolarHBondContact O-CA 3.4Å; Q342-G346 PolarHBondContact O-N 3.4Å
343	W	81.6	Confident	88.9	Confident	91 Å²	91	36.8 Å²	36.8	35%	0.345	21%	0.206	S	C	.	.	H	α-helix	trans	-67.2	-51.9	176.3	-176	85	0	0	0	112.9	L291 D339 A340 C341 F345 L767 S770	L291-W343 HydrophobicContact CD1-CE3 3.44Å; L291-W343 VanDerWaalsContact CD1-CE3 3.44Å; L291-W343 HydrophobicContact CD1-CZ3 3.39Å; L291-W343 HydrophobicContact CG-CZ3 4.19Å; D339-W343 WeakPolarHBondContact O-CB 3.11Å; D339-W343 PolarHBondContact O-N 3.06Å; A340-W343 PolarHBondContact O-N 3.48Å; C341-W343 PolarHBondContact O-N 3.16Å; W343-F345 PolarHBondContact O-N 2.85Å; W343-L767 HydrophobicContact CD2-CB 4.36Å; W343-L767 HydrophobicContact CD2-CD2 3.79Å; W343-L767 HydrophobicContact CE3-CD2 3.82Å; W343-L767 HydrophobicContact CG-CB 4.12Å; W343-L767 HydrophobicContact CG-CD2 4.23Å; W343-L767 HydrophobicContact CH2-CD2 4.43Å; W343-L767 HydrophobicContact CZ2-CD2 4.4Å; W343-L767 HydrophobicContact CZ3-CD2 4.16Å; W343-L767 PolarHBondContact NE1-O 3.37Å; W343-S770 WeakPolarHBondContact CZ2-O 3.27Å; W343-S770 WeakPolarHBondContact CZ2-OG 3.4Å
344	A	83.4	Confident	88.9	Confident	36 Å²	36	38 Å²	38	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-65.9	-38.2	-174.2	0	0	0	0	0	113.2	L291 A340 C341	L291-A344 HydrophobicContact CD1-CB 3.71Å; A340-A344 VanDerWaalsContact O-CB 3.23Å; A340-A344 WeakPolarHBondContact O-CB 3.4Å; A340-A344 PolarHBondContact O-N 2.91Å; C341-A344 PolarHBondContact O-N 3.01Å
345	F	87.1	Confident	88.8	Confident	54 Å²	54	39 Å²	39	24%	0.237	22%	0.22	C	C	.	.	H	α-helix	trans	-119.1	1.3	-167.5	-51.4	-65.9	0	0	0	114.3	E294 F297 C341 W343 R347 I349	E294-F345 HydrophobicContact CB-CD1 4.47Å; E294-F345 HydrophobicContact CB-CE1 3.96Å; E294-F345 HydrophobicContact CB-CE2 4.49Å; E294-F345 HydrophobicContact CB-CZ 3.98Å; F297-F345 HydrophobicContact CB-CE2 4.41Å; F297-F345 AromaticContact CD2-CE2 3.45Å; F297-F345 HydrophobicContact CD2-CE2 3.45Å; F297-F345 VanDerWaalsContact CD2-CE2 3.45Å; F297-F345 AromaticContact CD2-CZ 3.71Å; F297-F345 HydrophobicContact CD2-CZ 3.71Å; F297-F345 AromaticContact CE2-CE2 3.78Å; F297-F345 HydrophobicContact CE2-CE2 3.78Å; F297-F345 HydrophobicContact CE2-CZ 4.03Å; F297-F345 HydrophobicContact CG-CE2 4Å; C341-F345 WeakPolarHBondContact O-CD2 3.22Å; C341-F345 PolarHBondContact O-N 3.06Å; W343-F345 PolarHBondContact O-N 2.85Å; F345-R347 HydrophobicContact CB-CG 4.23Å; F345-R347 PolarHBondContact O-N 3.31Å; F345-R347 PolarHBondContact O-NH1 3.28Å; F345-I349 HydrophobicContact CD2-CD1 3.39Å; F345-I349 HydrophobicContact CD2-CG1 4.27Å; F345-I349 HydrophobicContact CE2-CD1 3.52Å; F345-I349 HydrophobicContact CG-CD1 4.26Å; F345-I349 HydrophobicContact CZ-CD1 4.46Å
346	G	82.9	Confident	88.9	Confident	74 Å²	74	38.5 Å²	38.5	76%	0.763	21%	0.214	S	C	*	.	S	Bend	trans	65.1	13.1	-176.7	0	0	0	0	0	114.5	Q342	Q342-G346 WeakPolarHBondContact O-CA 3.4Å; Q342-G346 PolarHBondContact O-N 3.4Å
347	R	87.9	Confident	89.1	Confident	109 Å²	109	39.2 Å²	39.2	41%	0.411	22%	0.218	S	C	.	.	S	Bend	trans	-156.8	154.9	-175.2	69.5	-172	-175.4	-85.4	8.6	111.1	E294 C341 F345	E294-R347 IonicContact OE1-CZ 3.84Å; E294-R347 IonicContact OE1-NE 3.14Å; E294-R347 IonicContact OE1-NH2 2.71Å; E294-R347 PolarHBondContact OE1-NH2 3.19Å; E294-R347 IonicContact OE2-CZ 3.96Å; E294-R347 IonicContact OE2-NH2 2.95Å; E294-R347 PolarHBondContact OE2-NH2 2.93Å; C341-R347 CarbonylContact C-O 3.55Å; F345-R347 HydrophobicContact CB-CG 4.23Å; F345-R347 PolarHBondContact O-N 3.31Å; F345-R347 PolarHBondContact O-NH1 3.28Å
348	S	86.2	Confident	89.2	Confident	36 Å²	36	39.2 Å²	39.2	25%	0.252	22%	0.218	S	C	.	.			trans	-77.2	128.9	167.9	-173.4	0	0	0	0	110.4	A350 P351	S348-A350 PolarHBondContact OG-N 3.49Å; S348-P351 WeakPolarHBondContact OG-CD 3.46Å
349	I	90.6	Very high	89.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-78.7	-31.6	172.2	-67.6	163.3	0	0	0	110.5	E294 F297 F298 L301 C341 F345 P351 Q352 V353	E294-I349 HydrophobicContact CB-CD1 4.34Å; E294-I349 HydrophobicContact CG-CD1 3.76Å; E294-I349 HydrophobicContact CG-CG1 4.31Å; F297-I349 HydrophobicContact CB-CD1 3.78Å; F297-I349 HydrophobicContact CG-CD1 4.46Å; F298-I349 HydrophobicContact CB-CG2 4.49Å; F298-I349 HydrophobicContact CD2-CG2 4.01Å; L301-I349 HydrophobicContact CD1-CB 4.4Å; L301-I349 HydrophobicContact CD1-CG2 4.33Å; C341-I349 HydrophobicContact CB-CD1 4.42Å; F345-I349 HydrophobicContact CD2-CD1 3.39Å; F345-I349 HydrophobicContact CD2-CG1 4.27Å; F345-I349 HydrophobicContact CE2-CD1 3.52Å; F345-I349 HydrophobicContact CG-CD1 4.26Å; F345-I349 HydrophobicContact CZ-CD1 4.46Å; I349-P351 VanDerWaalsContact C-CD 3.44Å; I349-P351 VanDerWaalsContact O-N 3.12Å; I349-Q352 WeakPolarHBondContact O-CB 3.3Å; I349-Q352 PolarHBondContact O-N 3.02Å; I349-V353 HydrophobicContact CG2-CG2 4.2Å
350	A	92.9	Very high	89.7	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-49.1	-41.6	-169.5	0	0	0	0	0	115.4	L301 S348 Q352 V353 L381 W385	L301-A350 HydrophobicContact CD1-CB 4.2Å; S348-A350 PolarHBondContact OG-N 3.49Å; A350-Q352 PolarHBondContact O-N 3.49Å; A350-Q352 VanDerWaalsContact O-N 3.1Å; A350-V353 WeakPolarHBondContact O-CB 3.41Å; A350-V353 PolarHBondContact O-N 3.48Å; A350-L381 CarbonylContact C-O 3.4Å; A350-L381 HydrophobicContact CB-CB 4.16Å; A350-L381 HydrophobicContact CB-CD2 4.05Å; A350-W385 HydrophobicContact CB-CZ2 4.27Å; A350-W385 PolarHBondContact O-NE1 3.44Å
351	P	92.4	Very high	90	Very high	57 Å²	57	50.3 Å²	50.3	37%	0.37	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.3	-27.6	178.2	-26.8	35.6	0	0	0	114.4	S348 I349 V353 L381 S384	S348-P351 WeakPolarHBondContact OG-CD 3.46Å; I349-P351 VanDerWaalsContact C-CD 3.44Å; I349-P351 VanDerWaalsContact O-N 3.12Å; P351-V353 VanDerWaalsContact C-N 3.31Å; P351-L381 VanDerWaalsContact CA-O 3.25Å; P351-L381 WeakPolarHBondContact CA-O 3.27Å; P351-L381 WeakPolarHBondContact CD-O 3.33Å; P351-L381 WeakPolarHBondContact CG-O 3.49Å; P351-L381 VanDerWaalsContact N-O 3.13Å; P351-S384 PolarHBondContact O-OG 3.48Å
352	Q	91.4	Very high	90.4	Very high	103 Å²	103	50.3 Å²	50.3	48%	0.481	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-79.2	-13	179.3	-55	177.5	105.5	0	0	113	F298 I349 A350 V354	F298-Q352 HydrophobicContact CE2-CB 4.19Å; F298-Q352 WeakPolarHBondContact CE2-O 3.4Å; I349-Q352 WeakPolarHBondContact O-CB 3.3Å; I349-Q352 PolarHBondContact O-N 3.02Å; A350-Q352 PolarHBondContact O-N 3.49Å; A350-Q352 VanDerWaalsContact O-N 3.1Å; Q352-V354 VanDerWaalsContact C-N 3.32Å; Q352-V354 PolarHBondContact O-N 2.92Å
353	V	93.5	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.			trans	-82.3	76.1	-173.6	-171.7	0	0	0	0	109.9	F298 L301 Q302 K305 I349 A350 P351 W385	F298-V353 HydrophobicContact CD2-CG2 3.89Å; F298-V353 HydrophobicContact CE2-CB 4.45Å; F298-V353 HydrophobicContact CE2-CG2 3.96Å; F298-V353 HydrophobicContact CG-CG2 4.39Å; L301-V353 HydrophobicContact CB-CB 4.44Å; L301-V353 HydrophobicContact CB-CG1 4.03Å; L301-V353 HydrophobicContact CB-CG2 3.86Å; L301-V353 HydrophobicContact CD1-CG2 4.05Å; Q302-V353 HydrophobicContact CB-CG1 4.39Å; Q302-V353 HydrophobicContact CG-CG1 3.61Å; K305-V353 HydrophobicContact CD-CG1 4Å; K305-V353 WeakPolarHBondContact CD-O 3.23Å; K305-V353 PolarHBondContact NZ-O 2.95Å; I349-V353 HydrophobicContact CG2-CG2 4.2Å; A350-V353 WeakPolarHBondContact O-CB 3.41Å; A350-V353 PolarHBondContact O-N 3.48Å; P351-V353 VanDerWaalsContact C-N 3.31Å; V353-W385 HydrophobicContact CB-CZ2 4.25Å; V353-W385 HydrophobicContact CG1-CZ2 4.35Å
354	V	92.1	Very high	91.4	Very high	34 Å²	34	45.7 Å²	45.7	21%	0.206	26%	0.261	C	S	.	.			trans	-75.1	-56	-174.5	179.5	0	0	0	0	112.5	K305 Q352 P356 L357 W392 P397	K305-V354 PolarHBondContact NZ-O 3.27Å; Q352-V354 VanDerWaalsContact C-N 3.32Å; Q352-V354 PolarHBondContact O-N 2.92Å; V354-P356 CarbonylContact O-C 3.26Å; V354-P356 VanDerWaalsContact O-C 3.26Å; V354-P356 VanDerWaalsContact O-O 3.08Å; V354-L357 HydrophobicContact CG1-CD2 3.98Å; V354-W392 HydrophobicContact CB-CH2 4.19Å; V354-W392 HydrophobicContact CB-CZ2 4.5Å; V354-W392 HydrophobicContact CG1-CE3 4.41Å; V354-W392 HydrophobicContact CG1-CH2 3.44Å; V354-W392 VanDerWaalsContact CG1-CH2 3.44Å; V354-W392 HydrophobicContact CG1-CZ2 3.48Å; V354-W392 VanDerWaalsContact CG1-CZ2 3.48Å; V354-W392 HydrophobicContact CG1-CZ3 3.91Å; V354-W392 HydrophobicContact CG2-CH2 3.61Å; V354-W392 HydrophobicContact CG2-CZ2 4.16Å; V354-W392 HydrophobicContact CG2-CZ3 4.39Å; V354-P397 HydrophobicContact CG1-CB 3.84Å; V354-P397 HydrophobicContact CG1-CG 3.94Å
355	S	90.1	Very high	91.9	Very high	20 Å²	20	44.8 Å²	44.8	14%	0.14	25%	0.25	C	S	.	.	S	Bend	trans	-90.5	139	-178.5	-152	0	0	0	0	111.1	Q302 G398	Q302-S355 VanDerWaalsContact CG-O 3.3Å; Q302-S355 WeakPolarHBondContact CG-O 3.45Å; Q302-S355 PolarHBondContact NE2-O 3.23Å; S355-G398 PolarHBondContact OG-O 3.48Å
356	P	93.5	Very high	92.3	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.104	24%	0.24	C	C	.	.	S	Bend	cis	-72.2	148.4	-7.3	31	-32.4	0	0	0	111.2	K305 L306 V354 Y400	K305-P356 HydrophobicContact CB-CG 3.79Å; K305-P356 WeakPolarHBondContact CD-O 3.47Å; K305-P356 WeakPolarHBondContact CE-O 3.47Å; K305-P356 PolarHBondContact NZ-O 3.48Å; L306-P356 HydrophobicContact CB-CG 4.35Å; V354-P356 CarbonylContact O-C 3.26Å; V354-P356 VanDerWaalsContact O-C 3.26Å; V354-P356 VanDerWaalsContact O-O 3.08Å; P356-Y400 HydrophobicContact CB-CD1 4.2Å; P356-Y400 HydrophobicContact CB-CG 4.4Å; P356-Y400 HydrophobicContact CG-CD1 3.76Å; P356-Y400 HydrophobicContact CG-CE1 4.37Å; P356-Y400 HydrophobicContact CG-CG 4.26Å
357	L	92.7	Very high	92.9	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.136	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-70.7	154.2	169.4	-68.7	174.9	0	0	0	110.5	N309 V354 A389 W392 P397	N309-L357 PolarHBondContact ND2-O 2.92Å; V354-L357 HydrophobicContact CG1-CD2 3.98Å; L357-A389 HydrophobicContact CD1-CB 4.37Å; L357-W392 HydrophobicContact CD1-CB 3.96Å; L357-W392 HydrophobicContact CD1-CD2 4.37Å; L357-W392 HydrophobicContact CD1-CG 3.97Å; L357-W392 HydrophobicContact CD2-CD2 4.04Å; L357-W392 HydrophobicContact CD2-CE3 3.74Å; L357-W392 HydrophobicContact CD2-CG 4.45Å; L357-W392 HydrophobicContact CD2-CZ3 4.3Å; L357-P397 HydrophobicContact CD1-CG 3.71Å; L357-P397 HydrophobicContact CD2-CG 4.41Å; L357-P397 HydrophobicContact CG-CG 3.79Å
358	I	94	Very high	93.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-77.7	127.3	179.2	-60.3	-56.4	0	0	0	108.9	K305 F308 A362 K363 L366 T388	K305-I358 HydrophobicContact CB-CD1 3.9Å; K305-I358 HydrophobicContact CG-CD1 4.09Å; F308-I358 HydrophobicContact CD2-CD1 4.35Å; I358-A362 HydrophobicContact CG2-CB 3.73Å; I358-K363 HydrophobicContact CG2-CB 4.14Å; I358-L366 HydrophobicContact CG2-CD1 4.18Å; I358-T388 VanDerWaalsContact O-CA 3.25Å; I358-T388 WeakPolarHBondContact O-CA 3.39Å
359	T	93.5	Very high	93.6	Very high	62 Å²	62	45.4 Å²	45.4	38%	0.38	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-68.7	153.9	177.1	55.6	0	0	0	0	110.9	N309 A361 A362 K363	N309-T359 HydrophobicContact CB-CG2 4.39Å; N309-T359 WeakPolarHBondContact OD1-CB 3.19Å; N309-T359 WeakPolarHBondContact OD1-CG2 3.45Å; N309-T359 PolarHBondContact OD1-N 3.01Å; N309-T359 PolarHBondContact OD1-OG1 3.23Å; T359-A361 PolarHBondContact O-N 2.99Å; T359-A362 PolarHBondContact O-N 3.34Å; T359-A362 VanDerWaalsContact OG1-CB 3.27Å; T359-A362 WeakPolarHBondContact OG1-CB 3.35Å; T359-A362 PolarHBondContact OG1-N 3.26Å; T359-K363 PolarHBondContact O-N 3.39Å
360	R	94.9	Very high	93.8	Very high	198 Å²	198	46.7 Å²	46.7	75%	0.747	25%	0.253	S	S	*	.	H	α-helix	trans	-56.3	-33.6	174.3	-173.6	172.3	177.4	161	-1.1	112.6	A364 T388	R360-A364 WeakPolarHBondContact O-CB 3.03Å; R360-A364 PolarHBondContact O-N 3.4Å; R360-T388 HydrophobicContact CB-CG2 4.24Å
361	A	94.2	Very high	93.8	Very high	48 Å²	48	50.1 Å²	50.1	40%	0.397	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-44.1	172.9	0	0	0	0	0	112.4	A312 T359 A364 L365	A312-A361 HydrophobicContact CB-CB 4.03Å; T359-A361 PolarHBondContact O-N 2.99Å; A361-A364 PolarHBondContact O-N 3.07Å; A361-L365 PolarHBondContact O-N 2.99Å
362	A	95.6	Very high	93.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-68.8	-41.8	177.5	0	0	0	0	0	112.7	F308 N309 A312 I358 T359 A364 L365 L366	F308-A362 HydrophobicContact CB-CB 4.42Å; F308-A362 WeakPolarHBondContact O-CB 3.42Å; N309-A362 WeakPolarHBondContact OD1-CB 3.35Å; A312-A362 HydrophobicContact CB-CB 3.77Å; I358-A362 HydrophobicContact CG2-CB 3.73Å; T359-A362 PolarHBondContact O-N 3.34Å; T359-A362 VanDerWaalsContact OG1-CB 3.27Å; T359-A362 WeakPolarHBondContact OG1-CB 3.35Å; T359-A362 PolarHBondContact OG1-N 3.26Å; A362-A364 VanDerWaalsContact C-N 3.27Å; A362-A364 PolarHBondContact O-N 3.16Å; A362-L365 PolarHBondContact O-N 3.37Å; A362-L365 VanDerWaalsContact O-N 3.11Å; A362-L366 WeakPolarHBondContact O-CB 3.34Å; A362-L366 WeakPolarHBondContact O-CD1 3.28Å; A362-L366 VanDerWaalsContact O-CG 3.28Å; A362-L366 WeakPolarHBondContact O-CG 3.3Å; A362-L366 PolarHBondContact O-N 3.44Å
363	K	95.5	Very high	93.9	Very high	42 Å²	42	54.1 Å²	54.1	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-41.7	172.4	-174.2	174.3	-178.5	171.9	0	111.3	I358 T359 L367 W378 R386 T388 E391	I358-K363 HydrophobicContact CG2-CB 4.14Å; T359-K363 PolarHBondContact O-N 3.39Å; K363-L367 HydrophobicContact CG-CD1 3.99Å; K363-L367 WeakPolarHBondContact O-CB 3.42Å; K363-L367 WeakPolarHBondContact O-CD1 3.39Å; K363-L367 VanDerWaalsContact O-CG 3.27Å; K363-L367 WeakPolarHBondContact O-CG 3.22Å; K363-L367 PolarHBondContact O-N 3.05Å; K363-W378 HydrophobicContact CG-CH2 4.42Å; K363-R386 WeakPolarHBondContact CD-O 3.44Å; K363-R386 WeakPolarHBondContact CE-O 3.22Å; K363-R386 PolarHBondContact NZ-O 3.04Å; K363-T388 HydrophobicContact CB-CG2 4.18Å; K363-T388 HydrophobicContact CD-CG2 3.69Å; K363-E391 IonicContact NZ-OE1 2.65Å; K363-E391 PolarHBondContact NZ-OE1 2.77Å; K363-E391 IonicContact NZ-OE2 3.42Å; K363-E391 PolarHBondContact NZ-OE2 3.29Å
364	A	95.3	Very high	94	Very high	43 Å²	43	55.1 Å²	55.1	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-35.1	174.7	0	0	0	0	0	113.2	R360 A361 A362 N368	R360-A364 WeakPolarHBondContact O-CB 3.03Å; R360-A364 PolarHBondContact O-N 3.4Å; A361-A364 PolarHBondContact O-N 3.07Å; A362-A364 VanDerWaalsContact C-N 3.27Å; A362-A364 PolarHBondContact O-N 3.16Å; A364-N368 WeakPolarHBondContact O-CB 3.37Å; A364-N368 PolarHBondContact O-N 3.48Å; A364-N368 PolarHBondContact O-ND2 3.46Å
365	L	94.2	Very high	94.2	Very high	16 Å²	16	56 Å²	56	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-48.7	174.4	-172.2	70.8	0	0	0	110.9	L311 A312 L327 A361 A362 L367 N368 C369	L311-L365 HydrophobicContact CB-CD2 4.28Å; A312-L365 HydrophobicContact CB-CB 4.35Å; A312-L365 HydrophobicContact CB-CD2 4.18Å; L327-L365 HydrophobicContact CD2-CD2 4.46Å; L327-L365 HydrophobicContact CD2-CG 4.25Å; A361-L365 PolarHBondContact O-N 2.99Å; A362-L365 PolarHBondContact O-N 3.37Å; A362-L365 VanDerWaalsContact O-N 3.11Å; L365-L367 PolarHBondContact O-N 3.33Å; L365-N368 PolarHBondContact O-N 3.46Å; L365-C369 WeakPolarHBondContact O-CB 3.13Å; L365-C369 PolarHBondContact O-N 3.12Å
366	L	95.7	Very high	94.4	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-56.9	-48.3	177.2	-69.5	157.8	0	0	0	111.6	F308 L327 F331 I358 A362 N368 L370 W378	F308-L366 HydrophobicContact CD2-CD1 4.34Å; F308-L366 HydrophobicContact CD2-CD2 4.33Å; F308-L366 HydrophobicContact CE2-CD2 4.35Å; F308-L366 HydrophobicContact CG-CD2 4.44Å; F308-L366 HydrophobicContact CZ-CD2 4.49Å; L327-L366 HydrophobicContact CD1-CD2 3.87Å; L327-L366 HydrophobicContact CD2-CD2 4.27Å; F331-L366 HydrophobicContact CE2-CD2 4.15Å; F331-L366 HydrophobicContact CZ-CD2 4.2Å; I358-L366 HydrophobicContact CG2-CD1 4.18Å; A362-L366 WeakPolarHBondContact O-CB 3.34Å; A362-L366 WeakPolarHBondContact O-CD1 3.28Å; A362-L366 VanDerWaalsContact O-CG 3.28Å; A362-L366 WeakPolarHBondContact O-CG 3.3Å; A362-L366 PolarHBondContact O-N 3.44Å; L366-N368 VanDerWaalsContact C-N 3.26Å; L366-N368 PolarHBondContact O-N 2.98Å; L366-L370 HydrophobicContact CB-CD1 4.26Å; L366-L370 HydrophobicContact CD2-CD1 3.84Å; L366-L370 HydrophobicContact CD2-CD2 4.34Å; L366-L370 HydrophobicContact CD2-CG 4.28Å; L366-L370 VanDerWaalsContact O-CG 3.26Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 2.7Å; L366-W378 HydrophobicContact CB-CH2 4.14Å; L366-W378 HydrophobicContact CB-CZ2 4.11Å; L366-W378 HydrophobicContact CB-CZ3 4.37Å; L366-W378 HydrophobicContact CD1-CZ2 3.86Å
367	L	94.8	Very high	94.4	Very high	113 Å²	113	62.2 Å²	62.2	59%	0.592	33%	0.334	S	S	*	.	H	α-helix	trans	-65.3	-23.6	-179.5	-74.9	167.7	0	0	0	114.7	K363 L365 W378	K363-L367 HydrophobicContact CG-CD1 3.99Å; K363-L367 WeakPolarHBondContact O-CB 3.42Å; K363-L367 WeakPolarHBondContact O-CD1 3.39Å; K363-L367 VanDerWaalsContact O-CG 3.27Å; K363-L367 WeakPolarHBondContact O-CG 3.22Å; K363-L367 PolarHBondContact O-N 3.05Å; L365-L367 PolarHBondContact O-N 3.33Å; L367-W378 HydrophobicContact CD2-CH2 4.1Å; L367-W378 HydrophobicContact CD2-CZ3 3.79Å; L367-W378 HydrophobicContact CG-CH2 4.05Å; L367-W378 HydrophobicContact CG-CZ3 4.13Å
368	N	94.1	Very high	94.6	Very high	137 Å²	137	61.6 Å²	61.6	73%	0.733	33%	0.33	S	S	*	.	H	α-helix	trans	-99.8	-23.5	-177.6	-73.5	-56.1	0	0	0	114	A364 L365 L366	A364-N368 WeakPolarHBondContact O-CB 3.37Å; A364-N368 PolarHBondContact O-N 3.48Å; A364-N368 PolarHBondContact O-ND2 3.46Å; L365-N368 PolarHBondContact O-N 3.46Å; L366-N368 VanDerWaalsContact C-N 3.26Å; L366-N368 PolarHBondContact O-N 2.98Å
369	C	93.9	Very high	94.6	Very high	34 Å²	34	64 Å²	64	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-110.3	-24.3	-169.9	-63.2	0	0	0	0	114.8	P324 L327 H328 L365	P324-C369 HydrophobicContact CB-CB 4.28Å; L327-C369 HydrophobicContact CD2-CB 3.95Å; H328-C369 PolarHBondContact CE1-O 2.86Å; H328-C369 PolarHBondContact NE2-O 2.95Å; L365-C369 WeakPolarHBondContact O-CB 3.13Å; L365-C369 PolarHBondContact O-N 3.12Å
370	L	94.7	Very high	94.6	Very high	27 Å²	27	64.5 Å²	64.5	14%	0.141	36%	0.356	C	S	.	.			trans	-71.6	138.2	-175.1	-64.2	-175.3	0	0	0	113.1	L327 F331 L366 E374 W378	L327-L370 HydrophobicContact CD2-CD2 3.68Å; L327-L370 HydrophobicContact CD2-CG 4.39Å; L327-L370 HydrophobicContact CG-CD2 3.9Å; F331-L370 HydrophobicContact CD2-CD2 3.76Å; F331-L370 HydrophobicContact CE1-CD1 4.23Å; F331-L370 HydrophobicContact CE2-CD1 4.07Å; F331-L370 HydrophobicContact CE2-CD2 3.36Å; F331-L370 HydrophobicContact CE2-CG 4.36Å; F331-L370 HydrophobicContact CZ-CD1 3.61Å; F331-L370 HydrophobicContact CZ-CD2 3.78Å; F331-L370 HydrophobicContact CZ-CG 4.36Å; L366-L370 HydrophobicContact CB-CD1 4.26Å; L366-L370 HydrophobicContact CD2-CD1 3.84Å; L366-L370 HydrophobicContact CD2-CD2 4.34Å; L366-L370 HydrophobicContact CD2-CG 4.28Å; L366-L370 VanDerWaalsContact O-CG 3.26Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 2.7Å; L370-E374 HydrophobicContact CB-CB 4.01Å; L370-E374 HydrophobicContact CD1-CB 4.41Å; L370-E374 HydrophobicContact CD2-CB 3.96Å; L370-E374 HydrophobicContact CG-CB 4.33Å; L370-W378 HydrophobicContact CD1-CB 4.07Å; L370-W378 HydrophobicContact CD1-CD2 4.38Å; L370-W378 HydrophobicContact CD1-CE3 4.26Å; L370-W378 HydrophobicContact CD1-CG 4.33Å
371	T	93.9	Very high	94.6	Very high	72 Å²	72	55 Å²	55	44%	0.442	32%	0.32	S	S	.	.			trans	-67.6	163	165.5	65.5	0	0	0	0	111	K373 E374 S375	T371-K373 VanDerWaalsContact C-N 3.27Å; T371-K373 PolarHBondContact O-N 3.29Å; T371-E374 VanDerWaalsContact CB-OE2 3.26Å; T371-E374 WeakPolarHBondContact CB-OE2 3.47Å; T371-E374 WeakPolarHBondContact CG2-OE2 3.48Å; T371-E374 PolarHBondContact N-OE2 3.46Å; T371-E374 PolarHBondContact O-N 2.96Å; T371-E374 VanDerWaalsContact OG1-CD 3.26Å; T371-E374 WeakPolarHBondContact OG1-CG 3.45Å; T371-E374 PolarHBondContact OG1-OE2 3.19Å; T371-S375 PolarHBondContact O-N 3.03Å
372	S	93.6	Very high	94.4	Very high	94 Å²	94	53.5 Å²	53.5	66%	0.657	31%	0.309	S	S	*	.	H	α-helix	trans	-52.2	-43.3	179.9	-45	0	0	0	0	113.1	E374 S375 E376	S372-E374 PolarHBondContact O-N 3.22Å; S372-S375 WeakPolarHBondContact O-CB 3.39Å; S372-S375 PolarHBondContact O-N 3.44Å; S372-E376 WeakPolarHBondContact O-CG 3.33Å; S372-E376 PolarHBondContact O-N 3.47Å
373	K	92.7	Very high	94.2	Very high	149 Å²	149	58 Å²	58	65%	0.648	33%	0.33	S	S	*	.	H	α-helix	trans	-64.8	-39.5	178.5	-174.8	-175.3	176.9	-172.6	0	112.5	T371 E376 I377	T371-K373 VanDerWaalsContact C-N 3.27Å; T371-K373 PolarHBondContact O-N 3.29Å; K373-E376 PolarHBondContact O-N 3.03Å; K373-I377 HydrophobicContact CG-CD1 4.37Å; K373-I377 VanDerWaalsContact O-CG1 3.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.45Å; K373-I377 PolarHBondContact O-N 3.03Å
374	E	95.2	Very high	94	Very high	21 Å²	21	56.3 Å²	56.3	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-73.6	-34.3	178.5	-63.8	163.4	128.8	0	0	111.4	H328 F331 L370 T371 S372 I377 W378	H328-E374 WeakPolarHBondContact CA-OE1 3.31Å; H328-E374 IonicContact CE1-OE1 3.85Å; H328-E374 IonicContact CE1-OE2 3.44Å; H328-E374 PolarHBondContact CE1-OE2 3.43Å; H328-E374 VanDerWaalsContact CE1-OE2 3.32Å; H328-E374 IonicContact CG-OE1 3.32Å; H328-E374 VanDerWaalsContact ND1-CD 3.28Å; H328-E374 IonicContact ND1-OE1 2.72Å; H328-E374 PolarHBondContact ND1-OE1 2.65Å; H328-E374 IonicContact ND1-OE2 3.17Å; H328-E374 PolarHBondContact ND1-OE2 2.95Å; F331-E374 HydrophobicContact CB-CB 4.43Å; F331-E374 HydrophobicContact CB-CG 3.79Å; F331-E374 HydrophobicContact CD1-CB 3.64Å; F331-E374 HydrophobicContact CD1-CG 3.93Å; F331-E374 HydrophobicContact CD2-CB 4.48Å; F331-E374 HydrophobicContact CE1-CB 4.01Å; F331-E374 VanDerWaalsContact CE1-O 3.23Å; F331-E374 WeakPolarHBondContact CE1-O 3.4Å; F331-E374 HydrophobicContact CG-CB 3.9Å; F331-E374 HydrophobicContact CG-CG 3.81Å; L370-E374 HydrophobicContact CB-CB 4.01Å; L370-E374 HydrophobicContact CD1-CB 4.41Å; L370-E374 HydrophobicContact CD2-CB 3.96Å; L370-E374 HydrophobicContact CG-CB 4.33Å; T371-E374 VanDerWaalsContact CB-OE2 3.26Å; T371-E374 WeakPolarHBondContact CB-OE2 3.47Å; T371-E374 WeakPolarHBondContact CG2-OE2 3.48Å; T371-E374 PolarHBondContact N-OE2 3.46Å; T371-E374 PolarHBondContact O-N 2.96Å; T371-E374 VanDerWaalsContact OG1-CD 3.26Å; T371-E374 WeakPolarHBondContact OG1-CG 3.45Å; T371-E374 PolarHBondContact OG1-OE2 3.19Å; S372-E374 PolarHBondContact O-N 3.22Å; E374-I377 PolarHBondContact O-N 3.2Å; E374-W378 WeakPolarHBondContact O-CB 3.22Å; E374-W378 PolarHBondContact O-N 2.89Å
375	S	95.7	Very high	94	Very high	53 Å²	53	54.2 Å²	54.2	37%	0.371	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-41.6	171.4	-168.5	0	0	0	0	111.8	T371 S372 W378 A379	T371-S375 PolarHBondContact O-N 3.03Å; S372-S375 WeakPolarHBondContact O-CB 3.39Å; S372-S375 PolarHBondContact O-N 3.44Å; S375-W378 PolarHBondContact O-N 3.45Å; S375-A379 VanDerWaalsContact O-CB 3.31Å; S375-A379 WeakPolarHBondContact O-CB 3.32Å; S375-A379 PolarHBondContact O-N 3.02Å
376	E	94.6	Very high	93.9	Very high	135 Å²	135	57.3 Å²	57.3	63%	0.631	32%	0.317	S	S	*	.	H	α-helix	trans	-60.4	-45.9	170.8	-74	168.4	-159.1	0	0	112.1	S372 K373 A379 S380	S372-E376 WeakPolarHBondContact O-CG 3.33Å; S372-E376 PolarHBondContact O-N 3.47Å; K373-E376 PolarHBondContact O-N 3.03Å; E376-A379 PolarHBondContact O-N 3.11Å; E376-S380 PolarHBondContact O-N 2.8Å
377	I	94	Very high	93.6	Very high	32 Å²	32	58 Å²	58	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-58.5	-50.6	174.9	-68.7	161.5	0	0	0	110.1	F331 A335 K373 E374 A379 S380 L381	F331-I377 HydrophobicContact CD1-CB 4.17Å; F331-I377 HydrophobicContact CD1-CG2 3.97Å; F331-I377 HydrophobicContact CE1-CB 4.24Å; F331-I377 HydrophobicContact CE1-CG2 4.04Å; A335-I377 HydrophobicContact CB-CD1 4.17Å; K373-I377 HydrophobicContact CG-CD1 4.37Å; K373-I377 VanDerWaalsContact O-CG1 3.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.45Å; K373-I377 PolarHBondContact O-N 3.03Å; E374-I377 PolarHBondContact O-N 3.2Å; I377-A379 VanDerWaalsContact C-N 3.31Å; I377-A379 PolarHBondContact O-N 3.02Å; I377-S380 WeakPolarHBondContact O-CB 3.26Å; I377-S380 PolarHBondContact O-N 2.92Å; I377-S380 PolarHBondContact O-OG 3.25Å; I377-L381 WeakPolarHBondContact O-CG 3.44Å; I377-L381 PolarHBondContact O-N 2.91Å
378	W	95.9	Very high	93.4	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.045	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-35.3	179.1	-178.7	50.9	0	0	0	113	F331 K363 L366 L367 L370 E374 S375 S380 L381 W385 R386	F331-W378 HydrophobicContact CE1-CB 4.05Å; F331-W378 HydrophobicContact CZ-CB 4.11Å; K363-W378 HydrophobicContact CG-CH2 4.42Å; L366-W378 HydrophobicContact CB-CH2 4.14Å; L366-W378 HydrophobicContact CB-CZ2 4.11Å; L366-W378 HydrophobicContact CB-CZ3 4.37Å; L366-W378 HydrophobicContact CD1-CZ2 3.86Å; L367-W378 HydrophobicContact CD2-CH2 4.1Å; L367-W378 HydrophobicContact CD2-CZ3 3.79Å; L367-W378 HydrophobicContact CG-CH2 4.05Å; L367-W378 HydrophobicContact CG-CZ3 4.13Å; L370-W378 HydrophobicContact CD1-CB 4.07Å; L370-W378 HydrophobicContact CD1-CD2 4.38Å; L370-W378 HydrophobicContact CD1-CE3 4.26Å; L370-W378 HydrophobicContact CD1-CG 4.33Å; E374-W378 WeakPolarHBondContact O-CB 3.22Å; E374-W378 PolarHBondContact O-N 2.89Å; S375-W378 PolarHBondContact O-N 3.45Å; W378-S380 VanDerWaalsContact C-N 3.33Å; W378-L381 PolarHBondContact O-N 3.33Å; W378-W385 PolarHBondContact NE1-O 3.5Å; W378-R386 HydrophobicContact CD2-CG 4.32Å; W378-R386 HydrophobicContact CH2-CG 4.3Å; W378-R386 HydrophobicContact CZ2-CB 4.31Å; W378-R386 HydrophobicContact CZ2-CG 3.82Å
379	A	94.3	Very high	92.9	Very high	51 Å²	51	49.6 Å²	49.6	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-35.6	172.6	0	0	0	0	0	112.3	S375 E376 I377 L381 R386	S375-A379 VanDerWaalsContact O-CB 3.31Å; S375-A379 WeakPolarHBondContact O-CB 3.32Å; S375-A379 PolarHBondContact O-N 3.02Å; E376-A379 PolarHBondContact O-N 3.11Å; I377-A379 VanDerWaalsContact C-N 3.31Å; I377-A379 PolarHBondContact O-N 3.02Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 2.89Å; A379-R386 PolarHBondContact O-NH1 2.93Å
380	S	93.3	Very high	92.5	Very high	73 Å²	73	54.1 Å²	54.1	51%	0.51	31%	0.307	S	S	.	.	H	α-helix	trans	-68.4	-22.9	178.9	81.8	0	0	0	0	114.4	E376 I377 W378 G382	E376-S380 PolarHBondContact O-N 2.8Å; I377-S380 WeakPolarHBondContact O-CB 3.26Å; I377-S380 PolarHBondContact O-N 2.92Å; I377-S380 PolarHBondContact O-OG 3.25Å; W378-S380 VanDerWaalsContact C-N 3.33Å; S380-G382 PolarHBondContact O-N 2.87Å
381	L	94.4	Very high	92.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-11.8	-176.1	-50.9	-177.7	0	0	0	114.4	L334 V338 A350 P351 I377 W378 A379 W385	L334-L381 HydrophobicContact CD2-CD1 4.1Å; V338-L381 HydrophobicContact CG1-CD2 4.33Å; V338-L381 HydrophobicContact CG2-CD2 3.68Å; A350-L381 CarbonylContact C-O 3.4Å; A350-L381 HydrophobicContact CB-CB 4.16Å; A350-L381 HydrophobicContact CB-CD2 4.05Å; P351-L381 VanDerWaalsContact CA-O 3.25Å; P351-L381 WeakPolarHBondContact CA-O 3.27Å; P351-L381 WeakPolarHBondContact CD-O 3.33Å; P351-L381 WeakPolarHBondContact CG-O 3.49Å; P351-L381 VanDerWaalsContact N-O 3.13Å; I377-L381 WeakPolarHBondContact O-CG 3.44Å; I377-L381 PolarHBondContact O-N 2.91Å; W378-L381 PolarHBondContact O-N 3.33Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 2.89Å; L381-W385 HydrophobicContact CB-CB 3.96Å; L381-W385 HydrophobicContact CB-CD2 3.89Å; L381-W385 HydrophobicContact CB-CG 3.56Å; L381-W385 HydrophobicContact CD1-CB 4.45Å; L381-W385 HydrophobicContact CD1-CD2 3.56Å; L381-W385 HydrophobicContact CD1-CE3 3.41Å; L381-W385 VanDerWaalsContact CD1-CE3 3.41Å; L381-W385 HydrophobicContact CD1-CG 4.03Å; L381-W385 HydrophobicContact CD1-CH2 4.34Å; L381-W385 HydrophobicContact CD1-CZ2 4.48Å; L381-W385 HydrophobicContact CD1-CZ3 3.83Å; L381-W385 HydrophobicContact CG-CD2 4.35Å; L381-W385 HydrophobicContact CG-CG 4.45Å; L381-W385 VanDerWaalsContact O-CD1 3.28Å
382	G	92	Very high	91.8	Very high	16 Å²	16	56.1 Å²	56.1	17%	0.165	31%	0.309	C	S	.	.			trans	95.5	172.2	179.4	0	0	0	0	0	115.3	S380 S384 W385 R386	S380-G382 PolarHBondContact O-N 2.87Å; G382-S384 VanDerWaalsContact C-N 3.28Å; G382-S384 PolarHBondContact O-N 2.92Å; G382-W385 PolarHBondContact O-N 3.37Å; G382-R386 PolarHBondContact O-NH1 3.22Å; G382-R386 VanDerWaalsContact O-NH1 3.11Å
383	E	90.5	Very high	91.2	Very high	95 Å²	95	61.5 Å²	61.5	44%	0.444	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-63.8	-31	-170.7	-151.5	-173.2	169	0	0	112.9	W385 R386 M387 R393	E383-W385 PolarHBondContact O-N 2.85Å; E383-W385 VanDerWaalsContact O-N 3.13Å; E383-R386 PolarHBondContact O-N 2.89Å; E383-M387 HydrophobicContact CB-CE 3.92Å; E383-M387 HydrophobicContact CG-CE 3.67Å; E383-M387 HydrophobicContact CG-CG 4.09Å; E383-M387 HydrophobicContact CG-SD 4.15Å; E383-M387 PolarHBondContact O-N 3.42Å; E383-R393 IonicContact OE1-CZ 3.17Å; E383-R393 IonicContact OE1-NH2 2.68Å; E383-R393 PolarHBondContact OE1-NH2 2.78Å
384	S	90.8	Very high	90.5	Very high	6 Å²	6	56 Å²	56	4%	0.042	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62.6	-14.2	176.2	51.8	0	0	0	0	114.8	K305 P351 G382	K305-S384 WeakPolarHBondContact CE-O 3.46Å; K305-S384 PolarHBondContact NZ-O 3.2Å; P351-S384 PolarHBondContact O-OG 3.48Å; G382-S384 VanDerWaalsContact C-N 3.28Å; G382-S384 PolarHBondContact O-N 2.92Å
385	W	94.9	Very high	89.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-98.6	-4.9	173.4	-68.5	72.1	0	0	0	113.4	L301 F304 K305 F308 L334 A350 V353 W378 L381 G382 E383	L301-W385 HydrophobicContact CB-CH2 4.24Å; L301-W385 HydrophobicContact CB-CZ2 4.02Å; L301-W385 HydrophobicContact CD2-CH2 3.97Å; L301-W385 HydrophobicContact CD2-CZ2 4.05Å; L301-W385 WeakPolarHBondContact O-CH2 3.28Å; F304-W385 HydrophobicContact CB-CH2 4.01Å; F304-W385 HydrophobicContact CB-CZ3 4.12Å; K305-W385 HydrophobicContact CD-CD2 4.05Å; K305-W385 HydrophobicContact CD-CE3 4.21Å; K305-W385 HydrophobicContact CD-CH2 4.19Å; K305-W385 HydrophobicContact CD-CZ2 3.99Å; K305-W385 HydrophobicContact CD-CZ3 4.29Å; K305-W385 HydrophobicContact CG-CD2 4.04Å; K305-W385 HydrophobicContact CG-CE3 3.68Å; K305-W385 HydrophobicContact CG-CH2 3.57Å; K305-W385 HydrophobicContact CG-CZ2 3.9Å; K305-W385 HydrophobicContact CG-CZ3 3.44Å; K305-W385 VanDerWaalsContact CG-CZ3 3.44Å; F308-W385 HydrophobicContact CD2-CZ3 4.47Å; F308-W385 HydrophobicContact CE2-CE3 4.16Å; F308-W385 AromaticContact CE2-CZ3 3.91Å; F308-W385 HydrophobicContact CE2-CZ3 3.91Å; L334-W385 HydrophobicContact CD1-CH2 4.4Å; A350-W385 HydrophobicContact CB-CZ2 4.27Å; A350-W385 PolarHBondContact O-NE1 3.44Å; V353-W385 HydrophobicContact CB-CZ2 4.25Å; V353-W385 HydrophobicContact CG1-CZ2 4.35Å; W378-W385 PolarHBondContact NE1-O 3.5Å; L381-W385 HydrophobicContact CB-CB 3.96Å; L381-W385 HydrophobicContact CB-CD2 3.89Å; L381-W385 HydrophobicContact CB-CG 3.56Å; L381-W385 HydrophobicContact CD1-CB 4.45Å; L381-W385 HydrophobicContact CD1-CD2 3.56Å; L381-W385 HydrophobicContact CD1-CE3 3.41Å; L381-W385 VanDerWaalsContact CD1-CE3 3.41Å; L381-W385 HydrophobicContact CD1-CG 4.03Å; L381-W385 HydrophobicContact CD1-CH2 4.34Å; L381-W385 HydrophobicContact CD1-CZ2 4.48Å; L381-W385 HydrophobicContact CD1-CZ3 3.83Å; L381-W385 HydrophobicContact CG-CD2 4.35Å; L381-W385 HydrophobicContact CG-CG 4.45Å; L381-W385 VanDerWaalsContact O-CD1 3.28Å; G382-W385 PolarHBondContact O-N 3.37Å; E383-W385 PolarHBondContact O-N 2.85Å; E383-W385 VanDerWaalsContact O-N 3.13Å
386	R	92.3	Very high	88.7	Confident	81 Å²	81	63.6 Å²	63.6	31%	0.306	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-19	-176	-60.8	-168.1	-61.8	-85.7	10.1	114.3	K363 W378 A379 G382 E383	K363-R386 WeakPolarHBondContact CD-O 3.44Å; K363-R386 WeakPolarHBondContact CE-O 3.22Å; K363-R386 PolarHBondContact NZ-O 3.04Å; W378-R386 HydrophobicContact CD2-CG 4.32Å; W378-R386 HydrophobicContact CH2-CG 4.3Å; W378-R386 HydrophobicContact CZ2-CB 4.31Å; W378-R386 HydrophobicContact CZ2-CG 3.82Å; A379-R386 PolarHBondContact O-NH1 2.93Å; G382-R386 PolarHBondContact O-NH1 3.22Å; G382-R386 VanDerWaalsContact O-NH1 3.11Å; E383-R386 PolarHBondContact O-N 2.89Å
387	M	89.2	Confident	87.9	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.089	33%	0.333	C	S	.	.			trans	-78	135.4	170	-72.9	-174	-77.3	0	0	111.7	E383 E391 W392	E383-M387 HydrophobicContact CB-CE 3.92Å; E383-M387 HydrophobicContact CG-CE 3.67Å; E383-M387 HydrophobicContact CG-CG 4.09Å; E383-M387 HydrophobicContact CG-SD 4.15Å; E383-M387 PolarHBondContact O-N 3.42Å; M387-E391 VanDerWaalsContact CA-OE2 3.3Å; M387-E391 WeakPolarHBondContact CA-OE2 3.41Å; M387-E391 HydrophobicContact CB-CB 4.12Å; M387-E391 HydrophobicContact CG-CB 4.18Å; M387-E391 VanDerWaalsContact SD-O 3.36Å; M387-W392 HydrophobicContact CB-CE3 4.39Å; M387-W392 HydrophobicContact CE-CD2 4.46Å; M387-W392 HydrophobicContact CE-CE3 3.35Å; M387-W392 HydrophobicContact CE-CH2 4.42Å; M387-W392 HydrophobicContact CE-CZ3 3.33Å; M387-W392 HydrophobicContact SD-CE3 4.06Å
388	T	90.7	Very high	87	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.025	36%	0.355	C	S	.	.			trans	-79.2	174.3	161.3	71.7	0	0	0	0	111.6	I358 R360 K363 D390 E391 W392	I358-T388 VanDerWaalsContact O-CA 3.25Å; I358-T388 WeakPolarHBondContact O-CA 3.39Å; R360-T388 HydrophobicContact CB-CG2 4.24Å; K363-T388 HydrophobicContact CB-CG2 4.18Å; K363-T388 HydrophobicContact CD-CG2 3.69Å; T388-D390 PolarHBondContact O-N 3Å; T388-D390 PolarHBondContact OG1-N 2.76Å; T388-D390 PolarHBondContact OG1-OD2 2.78Å; T388-E391 PolarHBondContact N-OE2 2.98Å; T388-E391 PolarHBondContact O-N 3.45Å; T388-E391 WeakPolarHBondContact OG1-CG 3.41Å; T388-W392 PolarHBondContact O-N 2.89Å; T388-W392 VanDerWaalsContact O-N 3.15Å
389	A	85.2	Confident	86.2	Confident	69 Å²	69	64.8 Å²	64.8	57%	0.57	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-55.3	-37.4	170.8	0	0	0	0	0	112.7	L357 E391	L357-A389 HydrophobicContact CD1-CB 4.37Å; A389-E391 VanDerWaalsContact C-N 3.31Å; A389-E391 PolarHBondContact O-N 3.38Å
390	D	84.8	Confident	85.9	Confident	128 Å²	128	64.1 Å²	64.1	68%	0.684	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-73.7	-23	-179.5	-30.6	-75.9	0	0	0	112.9	T388	T388-D390 PolarHBondContact O-N 3Å; T388-D390 PolarHBondContact OG1-N 2.76Å; T388-D390 PolarHBondContact OG1-OD2 2.78Å
391	E	88.3	Confident	85.7	Confident	83 Å²	83	63.6 Å²	63.6	39%	0.388	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-97.1	-8.9	-177.8	-63.4	168.9	153.3	0	0	112.6	K363 M387 T388 A389 R393	K363-E391 IonicContact NZ-OE1 2.65Å; K363-E391 PolarHBondContact NZ-OE1 2.77Å; K363-E391 IonicContact NZ-OE2 3.42Å; K363-E391 PolarHBondContact NZ-OE2 3.29Å; M387-E391 VanDerWaalsContact CA-OE2 3.3Å; M387-E391 WeakPolarHBondContact CA-OE2 3.41Å; M387-E391 HydrophobicContact CB-CB 4.12Å; M387-E391 HydrophobicContact CG-CB 4.18Å; M387-E391 VanDerWaalsContact SD-O 3.36Å; T388-E391 PolarHBondContact N-OE2 2.98Å; T388-E391 PolarHBondContact O-N 3.45Å; T388-E391 WeakPolarHBondContact OG1-CG 3.41Å; A389-E391 VanDerWaalsContact C-N 3.31Å; A389-E391 PolarHBondContact O-N 3.38Å; E391-R393 PolarHBondContact O-N 3.13Å
392	W	86.3	Confident	85.4	Confident	59 Å²	59	63.7 Å²	63.7	22%	0.223	37%	0.368	C	S	.	.			trans	-74	110.6	-172.9	-179	-101.7	0	0	0	111.9	V354 L357 M387 T388 G394 P395	V354-W392 HydrophobicContact CB-CH2 4.19Å; V354-W392 HydrophobicContact CB-CZ2 4.5Å; V354-W392 HydrophobicContact CG1-CE3 4.41Å; V354-W392 HydrophobicContact CG1-CH2 3.44Å; V354-W392 VanDerWaalsContact CG1-CH2 3.44Å; V354-W392 HydrophobicContact CG1-CZ2 3.48Å; V354-W392 VanDerWaalsContact CG1-CZ2 3.48Å; V354-W392 HydrophobicContact CG1-CZ3 3.91Å; V354-W392 HydrophobicContact CG2-CH2 3.61Å; V354-W392 HydrophobicContact CG2-CZ2 4.16Å; V354-W392 HydrophobicContact CG2-CZ3 4.39Å; L357-W392 HydrophobicContact CD1-CB 3.96Å; L357-W392 HydrophobicContact CD1-CD2 4.37Å; L357-W392 HydrophobicContact CD1-CG 3.97Å; L357-W392 HydrophobicContact CD2-CD2 4.04Å; L357-W392 HydrophobicContact CD2-CE3 3.74Å; L357-W392 HydrophobicContact CD2-CG 4.45Å; L357-W392 HydrophobicContact CD2-CZ3 4.3Å; M387-W392 HydrophobicContact CB-CE3 4.39Å; M387-W392 HydrophobicContact CE-CD2 4.46Å; M387-W392 HydrophobicContact CE-CE3 3.35Å; M387-W392 HydrophobicContact CE-CH2 4.42Å; M387-W392 HydrophobicContact CE-CZ3 3.33Å; M387-W392 HydrophobicContact SD-CE3 4.06Å; T388-W392 PolarHBondContact O-N 2.89Å; T388-W392 VanDerWaalsContact O-N 3.15Å; W392-G394 PolarHBondContact NE1-O 2.87Å; W392-G394 PolarHBondContact O-N 3.32Å; W392-P395 PolarHBondContact NE1-O 2.98Å
393	R	80.8	Confident	85.3	Confident	207 Å²	207	66.8 Å²	66.8	78%	0.781	38%	0.383	S	S	*	.			trans	-86.7	3.3	-175.6	-69.4	179.2	-77.6	-160.8	-1.1	115.2	E383 E391	E383-R393 IonicContact OE1-CZ 3.17Å; E383-R393 IonicContact OE1-NH2 2.68Å; E383-R393 PolarHBondContact OE1-NH2 2.78Å; E391-R393 PolarHBondContact O-N 3.13Å
394	G	76.9	Confident	85.3	Confident	34 Å²	34	62.5 Å²	62.5	35%	0.351	36%	0.364	S	S	.	.	S	Bend	trans	-99.9	179.5	174.9	0	0	0	0	0	112.7	W392	W392-G394 PolarHBondContact NE1-O 2.87Å; W392-G394 PolarHBondContact O-N 3.32Å
395	P	78.9	Confident	84.9	Confident	114 Å²	114	65.4 Å²	65.4	74%	0.74	39%	0.388	S	S	*	.	S	Bend	trans	-53.9	140.2	165.5	-22.7	33.8	0	0	0	110.4	W392	W392-P395 PolarHBondContact NE1-O 2.98Å
396	P	74.5	Confident	84.2	Confident	119 Å²	119	69.5 Å²	69.5	77%	0.773	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-61.4	128.5	-178.9	24.9	-33.6	0	0	0	109.9
397	P	77.7	Confident	83.8	Confident	41 Å²	41	68 Å²	68	27%	0.266	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-69.4	149.4	-178.9	28.8	-34.5	0	0	0	111.2	V354 L357	V354-P397 HydrophobicContact CG1-CB 3.84Å; V354-P397 HydrophobicContact CG1-CG 3.94Å; L357-P397 HydrophobicContact CD1-CG 3.71Å; L357-P397 HydrophobicContact CD2-CG 4.41Å; L357-P397 HydrophobicContact CG-CG 3.79Å
398	G	75.3	Confident	83.5	Confident	61 Å²	61	70.2 Å²	70.2	63%	0.629	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-57.3	146.8	173.5	0	0	0	0	0	112.4	S355 Y400	S355-G398 PolarHBondContact OG-O 3.48Å; G398-Y400 PolarHBondContact O-N 2.82Å
399	S	78.5	Confident	83.3	Confident	101 Å²	101	71.4 Å²	71.4	71%	0.706	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-54.7	119.8	177.7	46.1	0	0	0	0	111.2	T401	S399-T401 PolarHBondContact O-N 2.72Å
400	Y	88.7	Confident	82.8	Confident	37 Å²	37	68.5 Å²	68.5	15%	0.145	41%	0.41	C	S	.	.			trans	-72.4	113.5	177.7	179.5	-122	0	0	0	110.6	D299 Q302 K303 L306 P356 G398 P402	D299-Y400 PolarHBondContact OD1-OH 3.1Å; Q302-Y400 HydrophobicContact CB-CD2 4.3Å; Q302-Y400 HydrophobicContact CB-CE1 4.12Å; Q302-Y400 HydrophobicContact CB-CE2 3.6Å; Q302-Y400 VanDerWaalsContact CB-CZ 3.48Å; Q302-Y400 VanDerWaalsContact CD-CE2 3.46Å; Q302-Y400 HydrophobicContact CG-CE2 4.13Å; K303-Y400 WeakPolarHBondContact CG-OH 3.4Å; L306-Y400 HydrophobicContact CB-CE1 4.17Å; L306-Y400 HydrophobicContact CD2-CD1 4.49Å; L306-Y400 HydrophobicContact CD2-CE1 3.95Å; P356-Y400 HydrophobicContact CB-CD1 4.2Å; P356-Y400 HydrophobicContact CB-CG 4.4Å; P356-Y400 HydrophobicContact CG-CD1 3.76Å; P356-Y400 HydrophobicContact CG-CE1 4.37Å; P356-Y400 HydrophobicContact CG-CG 4.26Å; G398-Y400 PolarHBondContact O-N 2.82Å; Y400-P402 HydrophobicContact CD1-CB 4.39Å; Y400-P402 HydrophobicContact CE1-CB 3.67Å; Y400-P402 HydrophobicContact CE1-CG 4.3Å; Y400-P402 VanDerWaalsContact O-CD 3.31Å; Y400-P402 WeakPolarHBondContact O-CD 3.3Å
401	T	88.3	Confident	82.1	Confident	63 Å²	63	66.2 Å²	66.2	39%	0.387	39%	0.392	S	S	.	.			trans	-101.8	97.3	171.7	-56.3	0	0	0	0	108.3	S399 T403 V409	S399-T401 PolarHBondContact O-N 2.72Å; T401-T403 PolarHBondContact O-N 3.4Å; T401-V409 HydrophobicContact CG2-CG1 3.63Å
402	P	89.1	Confident	80.4	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.013	41%	0.411	C	S	.	.			trans	-65.3	135.4	-179.6	26.8	-34.8	0	0	0	110.7	L306 Y400 F404 P410	L306-P402 HydrophobicContact CD2-CB 3.73Å; L306-P402 HydrophobicContact CD2-CG 3.69Å; Y400-P402 HydrophobicContact CD1-CB 4.39Å; Y400-P402 HydrophobicContact CE1-CB 3.67Å; Y400-P402 HydrophobicContact CE1-CG 4.3Å; Y400-P402 VanDerWaalsContact O-CD 3.31Å; Y400-P402 WeakPolarHBondContact O-CD 3.3Å; P402-F404 HydrophobicContact CB-CE2 3.85Å; P402-F404 HydrophobicContact CB-CZ 3.87Å; P402-F404 HydrophobicContact CG-CE2 4.13Å; P402-F404 HydrophobicContact CG-CZ 4.37Å; P402-P410 HydrophobicContact CG-CG 3.76Å
403	T	90	Very high	78.4	Confident	80 Å²	80	75.4 Å²	75.4	49%	0.491	44%	0.435	S	S	.	.			trans	-118.4	121.5	171.2	-55.7	0	0	0	0	108	K303 T401 V409	K303-T403 VanDerWaalsContact CE-O 3.3Å; K303-T403 WeakPolarHBondContact CE-O 3.41Å; K303-T403 PolarHBondContact NZ-O 3.43Å; T401-T403 PolarHBondContact O-N 3.4Å; T403-V409 HydrophobicContact CG2-CG2 4.25Å
404	F	90.4	Very high	76	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.026	43%	0.433	C	S	.	.			trans	-94.4	161.6	-176.1	-65.1	-77.7	0	0	0	112.3	T230 R233 C234 D237 K303 L306 P402 D406 G407 Y408 P410	T230-F404 HydrophobicContact CG2-CE2 3.98Å; T230-F404 HydrophobicContact CG2-CZ 3.78Å; R233-F404 HydrophobicContact CB-CB 4.37Å; R233-F404 HydrophobicContact CB-CD1 3.59Å; R233-F404 HydrophobicContact CB-CD2 4Å; R233-F404 HydrophobicContact CB-CE1 3.79Å; R233-F404 HydrophobicContact CB-CE2 4.17Å; R233-F404 HydrophobicContact CB-CG 3.7Å; R233-F404 HydrophobicContact CB-CZ 4.07Å; C234-F404 HydrophobicContact CB-CE1 4.26Å; C234-F404 VanDerWaalsContact SG-CE1 3.54Å; D237-F404 WeakPolarHBondContact OD2-CA 3.43Å; K303-F404 HydrophobicContact CD-CD1 4.41Å; K303-F404 HydrophobicContact CD-CE1 4.26Å; K303-F404 HydrophobicContact CG-CE1 4.44Å; L306-F404 HydrophobicContact CD2-CZ 4.32Å; P402-F404 HydrophobicContact CB-CE2 3.85Å; P402-F404 HydrophobicContact CB-CZ 3.87Å; P402-F404 HydrophobicContact CG-CE2 4.13Å; P402-F404 HydrophobicContact CG-CZ 4.37Å; F404-D406 WeakPolarHBondContact CB-OD1 3.34Å; F404-D406 PolarHBondContact O-N 2.75Å; F404-D406 VanDerWaalsContact O-N 3.11Å; F404-G407 PolarHBondContact O-N 2.82Å; F404-Y408 AromaticContact CD2-CD1 3.67Å; F404-Y408 HydrophobicContact CD2-CD1 3.67Å; F404-Y408 HydrophobicContact CD2-CG 4.4Å; F404-Y408 WeakPolarHBondContact CD2-O 3.45Å; F404-Y408 HydrophobicContact CE2-CD1 4.01Å; F404-Y408 PolarHBondContact N-O 3.36Å; F404-P410 HydrophobicContact CE2-CG 4.16Å
405	A	82.7	Confident	73.8	Confident	66 Å²	66	69.2 Å²	69.2	55%	0.545	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.7	-176	0	0	0	0	0	114.7	D237	D237-A405 WeakPolarHBondContact OD1-CB 3.28Å; D237-A405 PolarHBondContact OD1-N 2.79Å; D237-A405 PolarHBondContact OD2-N 2.68Å; D237-A405 VanDerWaalsContact OD2-N 3.12Å
406	D	79.4	Confident	71.6	Confident	86 Å²	86	68.7 Å²	68.7	46%	0.46	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.1	170.9	63.5	-2.8	0	0	0	113.6	R233 F404 Y408	R233-D406 WeakPolarHBondContact CD-OD2 3.3Å; R233-D406 IonicContact CZ-OD2 3.23Å; R233-D406 IonicContact NE-OD2 2.74Å; R233-D406 IonicContact NH1-OD2 3.42Å; R233-D406 PolarHBondContact NH1-OD2 2.7Å; F404-D406 WeakPolarHBondContact CB-OD1 3.34Å; F404-D406 PolarHBondContact O-N 2.75Å; F404-D406 VanDerWaalsContact O-N 3.11Å; D406-Y408 VanDerWaalsContact C-N 3.34Å; D406-Y408 VanDerWaalsContact OD1-CB 3.23Å; D406-Y408 WeakPolarHBondContact OD1-CB 3.49Å; D406-Y408 PolarHBondContact OD1-N 3.45Å
407	G	83.1	Confident	69.5	Low	51 Å²	51	68.3 Å²	68.3	53%	0.526	44%	0.442	S	S	.	.			trans	82.7	4.1	-176.9	0	0	0	0	0	114.5	F404 V409	F404-G407 PolarHBondContact O-N 2.82Å; G407-V409 PolarHBondContact O-N 2.91Å
408	Y	83.4	Confident	67.4	Low	64 Å²	64	71.5 Å²	71.5	25%	0.251	46%	0.46	S	S	.	.			trans	-63.9	135.2	175	-177.3	-117.9	0	0	0	111.1	R233 F404 D406 P410	R233-Y408 HydrophobicContact CG-CD1 3.97Å; F404-Y408 AromaticContact CD2-CD1 3.67Å; F404-Y408 HydrophobicContact CD2-CD1 3.67Å; F404-Y408 HydrophobicContact CD2-CG 4.4Å; F404-Y408 WeakPolarHBondContact CD2-O 3.45Å; F404-Y408 HydrophobicContact CE2-CD1 4.01Å; F404-Y408 PolarHBondContact N-O 3.36Å; D406-Y408 VanDerWaalsContact C-N 3.34Å; D406-Y408 VanDerWaalsContact OD1-CB 3.23Å; D406-Y408 WeakPolarHBondContact OD1-CB 3.49Å; D406-Y408 PolarHBondContact OD1-N 3.45Å; Y408-P410 HydrophobicContact CD1-CG 4.49Å; Y408-P410 HydrophobicContact CE1-CB 3.7Å; Y408-P410 HydrophobicContact CE1-CG 3.98Å
409	V	86.1	Confident	65.5	Low	28 Å²	28	76.1 Å²	76.1	17%	0.17	47%	0.47	C	S	.	.			trans	-132	107.1	170.5	177.7	0	0	0	0	107.5	T401 T403 G407 Y411 Y412	T401-V409 HydrophobicContact CG2-CG1 3.63Å; T403-V409 HydrophobicContact CG2-CG2 4.25Å; G407-V409 PolarHBondContact O-N 2.91Å; V409-Y411 VanDerWaalsContact C-N 3.34Å; V409-Y411 PolarHBondContact O-N 3.05Å; V409-Y412 HydrophobicContact CB-CE2 4.42Å
410	P	75.6	Confident	63.5	Low	8 Å²	8	83 Å²	83	5%	0.052	48%	0.48	C	S	.	.	S	Bend	trans	-71.1	-27.6	-177	21.3	-28.4	0	0	0	113.3	R226 T230 P402 F404 Y408	R226-P410 HydrophobicContact CG-CB 4.4Å; R226-P410 PolarHBondContact NE-O 3.27Å; R226-P410 PolarHBondContact NH2-O 2.71Å; T230-P410 HydrophobicContact CG2-CG 3.89Å; T230-P410 WeakPolarHBondContact OG1-CB 3.3Å; P402-P410 HydrophobicContact CG-CG 3.76Å; F404-P410 HydrophobicContact CE2-CG 4.16Å; Y408-P410 HydrophobicContact CD1-CG 4.49Å; Y408-P410 HydrophobicContact CE1-CB 3.7Å; Y408-P410 HydrophobicContact CE1-CG 3.98Å
411	Y	70.1	Confident	60.9	Low	81 Å²	81	92.4 Å²	92.4	32%	0.318	52%	0.516	S	S	.	.			trans	-113.9	83.9	-175.4	-61.8	-87.1	0	0	0	111.2	D227 V409 D413	D227-Y411 PolarHBondContact OD1-OH 2.94Å; D227-Y411 VanDerWaalsContact OD1-OH 3.12Å; V409-Y411 VanDerWaalsContact C-N 3.34Å; V409-Y411 PolarHBondContact O-N 3.05Å; Y411-D413 PolarHBondContact O-N 3.22Å; Y411-D413 VanDerWaalsContact O-N 3.13Å
412	Y	52.5	Low	58.5	Low	197 Å²	197	92.2 Å²	92.2	77%	0.773	52%	0.517	S	S	*	.			trans	-71.5	96.8	160.4	-77.4	-82.5	0	0	0	109.1	V409 G414	V409-Y412 HydrophobicContact CB-CE2 4.42Å; Y412-G414 PolarHBondContact O-N 3.03Å
413	D	43.6	Very low	56.3	Low	137 Å²	137	100.2 Å²	100.2	73%	0.733	55%	0.554	S	S	*	*			trans	-74.5	112.2	171	-171.7	14	0	0	0	109.8	Y411 G415	Y411-D413 PolarHBondContact O-N 3.22Å; Y411-D413 VanDerWaalsContact O-N 3.13Å; D413-G415 PolarHBondContact O-N 3.33Å
414	G	32.2	Very low	54.2	Low	71 Å²	71	104 Å²	104	73%	0.732	57%	0.571	S	S	*	*			trans	-76.1	71.6	-179.3	0	0	0	0	0	111.3	Y412 A416	Y412-G414 PolarHBondContact O-N 3.03Å; G414-A416 PolarHBondContact O-N 2.68Å
415	G	30.7	Very low	52.1	Low	41 Å²	41	107.3 Å²	107.3	42%	0.423	59%	0.589	S	S	.	*			trans	-41.7	123.9	-171.8	0	0	0	0	0	114	D413 S417	D413-G415 PolarHBondContact O-N 3.33Å; G415-S417 PolarHBondContact O-N 2.93Å
416	A	30.9	Very low	50.3	Low	103 Å²	103	107.8 Å²	107.8	85%	0.851	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	50.3	-163	0	0	0	0	0	115.5	G414	G414-A416 PolarHBondContact O-N 2.68Å
417	S	30.3	Very low	48.6	Very low	111 Å²	111	109.9 Å²	109.9	78%	0.776	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-6.1	-174	60.8	0	0	0	0	115.5	G415	G415-S417 PolarHBondContact O-N 2.93Å
418	T	34.5	Very low	46.9	Very low	108 Å²	108	114 Å²	114	66%	0.663	60%	0.603	S	S	*	*			trans	-108.3	0.5	-176.6	53.8	0	0	0	0	115	R420 R421	T418-R420 PolarHBondContact O-N 2.85Å; T418-R421 PolarHBondContact O-N 3.49Å
419	L	35.4	Very low	45.1	Very low	158 Å²	158	115.6 Å²	115.6	83%	0.827	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	26.7	-168.7	-129.2	164.7	0	0	0	115.8
420	R	36.6	Very low	43.2	Very low	245 Å²	245	119.2 Å²	119.2	93%	0.925	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	6.6	173.2	-81.6	-162.1	174.4	-150.9	-0.5	115.5	T418	T418-R420 PolarHBondContact O-N 2.85Å
421	R	35.1	Very low	42.1	Very low	235 Å²	235	121.8 Å²	121.8	89%	0.887	65%	0.649	S	S	*	*	S	Bend	trans	-114.2	-16.6	178	-145.8	171.4	-166.8	169.9	4.7	116.1	T418	T418-R421 PolarHBondContact O-N 3.49Å
422	S	38	Very low	41.1	Very low	59 Å²	59	119.8 Å²	119.8	41%	0.413	65%	0.653	S	S	.	*			trans	-103.1	8.7	-171	-58.1	0	0	0	0	116.3	N424 L425 V426	S422-N424 PolarHBondContact O-N 3.36Å; S422-N424 VanDerWaalsContact O-N 3.15Å; S422-L425 WeakPolarHBondContact O-CB 3.31Å; S422-L425 PolarHBondContact O-N 2.95Å; S422-V426 PolarHBondContact O-N 3.05Å
423	Q	41.5	Very low	40.8	Very low	169 Å²	169	114.5 Å²	114.5	79%	0.79	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-19.5	176.6	-87	-175	-38	0	0	113.9
424	N	46	Very low	41.2	Very low	160 Å²	160	114.2 Å²	114.2	86%	0.856	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	6.1	172.2	-63.1	8.4	0	0	0	113.1	S422	S422-N424 PolarHBondContact O-N 3.36Å; S422-N424 VanDerWaalsContact O-N 3.15Å
425	L	45.8	Very low	42.4	Very low	75 Å²	75	116 Å²	116	39%	0.393	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.1	-28.3	-179.2	-158	77.8	0	0	0	112.4	S422 D427 M428 Q429	S422-L425 WeakPolarHBondContact O-CB 3.31Å; S422-L425 PolarHBondContact O-N 2.95Å; L425-D427 PolarHBondContact O-N 3.27Å; L425-M428 PolarHBondContact O-N 3.48Å; L425-M428 VanDerWaalsContact O-N 3.13Å; L425-Q429 WeakPolarHBondContact O-CB 3.19Å; L425-Q429 PolarHBondContact O-N 3.41Å
426	V	45.7	Very low	43.8	Very low	76 Å²	76	121.9 Å²	121.9	46%	0.461	64%	0.635	S	S	.	*	H	α-helix	trans	-57.5	-42.5	-171.7	-70.5	0	0	0	0	114	S422 M428 Q429 L430	S422-V426 PolarHBondContact O-N 3.05Å; V426-M428 VanDerWaalsContact C-N 3.3Å; V426-M428 PolarHBondContact O-N 2.89Å; V426-Q429 WeakPolarHBondContact O-CB 2.96Å; V426-Q429 PolarHBondContact O-N 3.4Å; V426-L430 WeakPolarHBondContact O-CG 3.38Å; V426-L430 PolarHBondContact O-N 2.9Å
427	D	44.6	Very low	45.4	Very low	131 Å²	131	121.6 Å²	121.6	70%	0.701	62%	0.623	S	S	*	*	H	α-helix	trans	-66.7	-32.4	179.8	-66	-28	0	0	0	112.5	L425	L425-D427 PolarHBondContact O-N 3.27Å
428	M	47.1	Very low	47.3	Very low	138 Å²	138	119.9 Å²	119.9	68%	0.68	61%	0.611	S	S	*	*	H	α-helix	trans	-76.8	-39.6	175.5	-156.4	176.9	78.2	0	0	111.1	L425 V426 L430 S431 G432	L425-M428 PolarHBondContact O-N 3.48Å; L425-M428 VanDerWaalsContact O-N 3.13Å; V426-M428 VanDerWaalsContact C-N 3.3Å; V426-M428 PolarHBondContact O-N 2.89Å; M428-L430 PolarHBondContact O-N 3.32Å; M428-S431 PolarHBondContact O-N 2.95Å; M428-S431 PolarHBondContact O-OG 3.05Å; M428-G432 PolarHBondContact O-N 3.44Å
429	Q	45.2	Very low	49	Very low	96 Å²	96	119.7 Å²	119.7	45%	0.449	61%	0.605	S	S	.	*	H	α-helix	trans	-55.1	-48	176	-172.5	87	15.8	0	0	111.8	L425 V426 S431 G432 E433	L425-Q429 WeakPolarHBondContact O-CB 3.19Å; L425-Q429 PolarHBondContact O-N 3.41Å; V426-Q429 WeakPolarHBondContact O-CB 2.96Å; V426-Q429 PolarHBondContact O-N 3.4Å; Q429-S431 VanDerWaalsContact C-N 3.3Å; Q429-S431 PolarHBondContact O-N 3.29Å; Q429-G432 CarbonylContact O-C 3.47Å; Q429-G432 WeakPolarHBondContact O-CA 3.36Å; Q429-G432 PolarHBondContact O-N 2.92Å; Q429-E433 HydrophobicContact CG-CG 4.5Å; Q429-E433 VanDerWaalsContact CG-OE1 3.28Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.31Å; Q429-E433 PolarHBondContact NE2-OE1 3.07Å; Q429-E433 PolarHBondContact O-N 3.12Å
430	L	47	Very low	50.4	Low	104 Å²	104	116.6 Å²	116.6	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-58.9	-37.1	-179	-72.5	167.4	0	0	0	113.1	V426 M428 E433 L434	V426-L430 WeakPolarHBondContact O-CG 3.38Å; V426-L430 PolarHBondContact O-N 2.9Å; M428-L430 PolarHBondContact O-N 3.32Å; L430-E433 PolarHBondContact O-N 2.95Å; L430-L434 PolarHBondContact O-N 2.94Å; L430-L434 VanDerWaalsContact O-N 3.13Å
431	S	50.6	Low	52.2	Low	63 Å²	63	113 Å²	113	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-31.9	174	74.3	0	0	0	0	113.2	M428 Q429 N435	M428-S431 PolarHBondContact O-N 2.95Å; M428-S431 PolarHBondContact O-OG 3.05Å; Q429-S431 VanDerWaalsContact C-N 3.3Å; Q429-S431 PolarHBondContact O-N 3.29Å; S431-N435 PolarHBondContact O-N 2.91Å; S431-N435 PolarHBondContact O-ND2 3.36Å
432	G	50.2	Low	54	Low	39 Å²	39	107.1 Å²	107.1	40%	0.402	56%	0.555	S	S	.	*	H	α-helix	trans	-72	-38.6	173.7	0	0	0	0	0	112.1	M428 Q429 N435 R436	M428-G432 PolarHBondContact O-N 3.44Å; Q429-G432 CarbonylContact O-C 3.47Å; Q429-G432 WeakPolarHBondContact O-CA 3.36Å; Q429-G432 PolarHBondContact O-N 2.92Å; G432-N435 PolarHBondContact O-N 3.15Å; G432-R436 WeakPolarHBondContact O-CB 3.4Å; G432-R436 PolarHBondContact O-N 3.34Å
433	E	45.6	Very low	55.9	Low	85 Å²	85	113.1 Å²	113.1	40%	0.397	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-39.4	179.7	-75.6	169.5	-176.4	0	0	112	Q429 L430 N435 R436 V437	Q429-E433 HydrophobicContact CG-CG 4.5Å; Q429-E433 VanDerWaalsContact CG-OE1 3.28Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.31Å; Q429-E433 PolarHBondContact NE2-OE1 3.07Å; Q429-E433 PolarHBondContact O-N 3.12Å; L430-E433 PolarHBondContact O-N 2.95Å; E433-N435 PolarHBondContact O-N 2.98Å; E433-R436 PolarHBondContact O-N 3Å; E433-V437 WeakPolarHBondContact O-CB 3.4Å; E433-V437 WeakPolarHBondContact O-CG2 3.4Å; E433-V437 PolarHBondContact O-N 3.45Å
434	L	51.8	Low	57.5	Low	131 Å²	131	110 Å²	110	69%	0.686	56%	0.557	S	S	*	*	H	α-helix	trans	-58.9	-44.4	170.8	-99.8	167.3	0	0	0	112.9	L430 R436 S438	L430-L434 PolarHBondContact O-N 2.94Å; L430-L434 VanDerWaalsContact O-N 3.13Å; L434-R436 VanDerWaalsContact C-N 3.34Å; L434-S438 WeakPolarHBondContact O-CB 3.09Å; L434-S438 PolarHBondContact O-N 3.39Å
435	N	58.6	Low	59.1	Low	109 Å²	109	105.9 Å²	105.9	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-65.3	-38.5	175.5	-79.6	-74.4	0	0	0	111.9	S431 G432 E433 S438 L439	S431-N435 PolarHBondContact O-N 2.91Å; S431-N435 PolarHBondContact O-ND2 3.36Å; G432-N435 PolarHBondContact O-N 3.15Å; E433-N435 PolarHBondContact O-N 2.98Å; N435-S438 PolarHBondContact O-N 3.4Å; N435-L439 WeakPolarHBondContact O-CG 3.28Å; N435-L439 PolarHBondContact O-N 3.19Å
436	R	60.4	Low	60.8	Low	165 Å²	165	106.3 Å²	106.3	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-49	176.9	-173.3	178.3	174.8	-179.2	0.7	111.4	G432 E433 L434 S438 L439 E440	G432-R436 WeakPolarHBondContact O-CB 3.4Å; G432-R436 PolarHBondContact O-N 3.34Å; E433-R436 PolarHBondContact O-N 3Å; L434-R436 VanDerWaalsContact C-N 3.34Å; R436-S438 VanDerWaalsContact C-N 3.27Å; R436-S438 PolarHBondContact O-N 3.04Å; R436-L439 PolarHBondContact O-N 3.41Å; R436-E440 IonicContact NE-OE2 2.78Å; R436-E440 VanDerWaalsContact O-CB 3.26Å; R436-E440 WeakPolarHBondContact O-CB 3.39Å; R436-E440 PolarHBondContact O-N 3.32Å
437	V	64	Low	62.4	Low	96 Å²	96	104.9 Å²	104.9	58%	0.582	53%	0.534	S	S	*	.	H	α-helix	trans	-59	-38.3	175	170.5	0	0	0	0	111.1	E433 E440 R441	E433-V437 WeakPolarHBondContact O-CB 3.4Å; E433-V437 WeakPolarHBondContact O-CG2 3.4Å; E433-V437 PolarHBondContact O-N 3.45Å; V437-E440 PolarHBondContact O-N 2.84Å; V437-R441 VanDerWaalsContact O-CB 3.27Å; V437-R441 WeakPolarHBondContact O-CB 3.4Å; V437-R441 PolarHBondContact O-N 2.88Å
438	S	70.6	Confident	64.1	Low	75 Å²	75	102 Å²	102	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-42.7	175.7	-163.6	0	0	0	0	112.8	L434 N435 R436 R441 E442	L434-S438 WeakPolarHBondContact O-CB 3.09Å; L434-S438 PolarHBondContact O-N 3.39Å; N435-S438 PolarHBondContact O-N 3.4Å; R436-S438 VanDerWaalsContact C-N 3.27Å; R436-S438 PolarHBondContact O-N 3.04Å; S438-R441 PolarHBondContact O-N 3.39Å; S438-E442 WeakPolarHBondContact O-CB 3.33Å; S438-E442 PolarHBondContact O-N 3.27Å
439	L	70	Confident	65.8	Low	105 Å²	105	101 Å²	101	55%	0.55	51%	0.508	S	S	.	.	H	α-helix	trans	-70.1	-32.5	175.9	-75.4	164.3	0	0	0	112.7	N435 R436 R443	N435-L439 WeakPolarHBondContact O-CG 3.28Å; N435-L439 PolarHBondContact O-N 3.19Å; R436-L439 PolarHBondContact O-N 3.41Å; L439-R443 WeakPolarHBondContact O-CB 3.43Å; L439-R443 WeakPolarHBondContact O-CG 3.42Å; L439-R443 PolarHBondContact O-N 2.93Å
440	E	64.5	Low	67.6	Low	92 Å²	92	105.5 Å²	105.5	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-72.6	-37.4	176.8	-157.2	127.3	-125.3	0	0	110.4	R436 V437 R443 L444	R436-E440 IonicContact NE-OE2 2.78Å; R436-E440 VanDerWaalsContact O-CB 3.26Å; R436-E440 WeakPolarHBondContact O-CB 3.39Å; R436-E440 PolarHBondContact O-N 3.32Å; V437-E440 PolarHBondContact O-N 2.84Å; E440-R443 WeakPolarHBondContact O-CB 3.31Å; E440-R443 PolarHBondContact O-N 3.24Å; E440-L444 WeakPolarHBondContact O-CG 3.31Å; E440-L444 PolarHBondContact O-N 3.45Å
441	R	73.9	Confident	69	Low	170 Å²	170	106.5 Å²	106.5	64%	0.642	53%	0.526	S	S	*	.	H	α-helix	trans	-64.9	-47.9	168.6	-177.6	174	-177.4	154.1	4.2	112.5	V437 S438 R443 L444 D445	V437-R441 VanDerWaalsContact O-CB 3.27Å; V437-R441 WeakPolarHBondContact O-CB 3.4Å; V437-R441 PolarHBondContact O-N 2.88Å; S438-R441 PolarHBondContact O-N 3.39Å; R441-R443 VanDerWaalsContact C-N 3.26Å; R441-R443 PolarHBondContact O-N 3.06Å; R441-L444 WeakPolarHBondContact O-CB 3.46Å; R441-L444 PolarHBondContact O-N 3.46Å; R441-D445 IonicContact NE-OD2 3.55Å; R441-D445 PolarHBondContact O-N 2.82Å
442	E	74	Confident	70.5	Confident	111 Å²	111	109.1 Å²	109.1	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-58.2	-39.3	175.7	-174.1	179.6	-166.9	0	0	111.5	S438 L446	S438-E442 WeakPolarHBondContact O-CB 3.33Å; S438-E442 PolarHBondContact O-N 3.27Å; E442-L446 HydrophobicContact CG-CD1 4.3Å; E442-L446 WeakPolarHBondContact O-CB 3.46Å; E442-L446 WeakPolarHBondContact O-CG 3.47Å; E442-L446 PolarHBondContact O-N 2.91Å
443	R	78	Confident	72.1	Confident	186 Å²	186	111.1 Å²	111.1	70%	0.702	53%	0.531	S	S	*	.	H	α-helix	trans	-62.9	-41.9	171.1	-85.5	177.8	152.2	-163.2	-6.7	113.5	L439 E440 R441 A447	L439-R443 WeakPolarHBondContact O-CB 3.43Å; L439-R443 WeakPolarHBondContact O-CG 3.42Å; L439-R443 PolarHBondContact O-N 2.93Å; E440-R443 WeakPolarHBondContact O-CB 3.31Å; E440-R443 PolarHBondContact O-N 3.24Å; R441-R443 VanDerWaalsContact C-N 3.26Å; R441-R443 PolarHBondContact O-N 3.06Å; R443-A447 WeakPolarHBondContact O-CB 3.19Å; R443-A447 PolarHBondContact O-N 2.98Å
444	L	73.5	Confident	73.6	Confident	103 Å²	103	110.1 Å²	110.1	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-42.5	177	-77.5	165.1	0	0	0	111.5	E440 R441 A447 K448	E440-L444 WeakPolarHBondContact O-CG 3.31Å; E440-L444 PolarHBondContact O-N 3.45Å; R441-L444 WeakPolarHBondContact O-CB 3.46Å; R441-L444 PolarHBondContact O-N 3.46Å; L444-A447 WeakPolarHBondContact O-CB 3.5Å; L444-A447 PolarHBondContact O-N 3.28Å; L444-A447 VanDerWaalsContact O-N 3.14Å; L444-K448 WeakPolarHBondContact O-CG 3.26Å; L444-K448 PolarHBondContact O-N 3.1Å
445	D	80.2	Confident	75	Confident	74 Å²	74	110.2 Å²	110.2	40%	0.396	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-41	178.9	-67.7	-26.8	0	0	0	110.9	R441 A447 K448 E449	R441-D445 IonicContact NE-OD2 3.55Å; R441-D445 PolarHBondContact O-N 2.82Å; D445-A447 VanDerWaalsContact C-N 3.31Å; D445-A447 PolarHBondContact O-N 3.38Å; D445-K448 PolarHBondContact O-N 3.38Å; D445-E449 PolarHBondContact O-N 3.01Å
446	L	82.1	Confident	76.4	Confident	84 Å²	84	110.7 Å²	110.7	44%	0.44	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-31.4	169.7	-77	167.8	0	0	0	113.6	E442 R450	E442-L446 HydrophobicContact CG-CD1 4.3Å; E442-L446 WeakPolarHBondContact O-CB 3.46Å; E442-L446 WeakPolarHBondContact O-CG 3.47Å; E442-L446 PolarHBondContact O-N 2.91Å; L446-R450 VanDerWaalsContact O-CG 3.31Å; L446-R450 WeakPolarHBondContact O-CG 3.42Å; L446-R450 PolarHBondContact O-N 2.87Å; L446-R450 VanDerWaalsContact O-N 3.15Å
447	A	78.8	Confident	77.7	Confident	46 Å²	46	110.3 Å²	110.3	38%	0.38	52%	0.515	S	S	.	.	H	α-helix	trans	-73.4	-40	174.7	0	0	0	0	0	111.6	R443 L444 D445 R450 L451	R443-A447 WeakPolarHBondContact O-CB 3.19Å; R443-A447 PolarHBondContact O-N 2.98Å; L444-A447 WeakPolarHBondContact O-CB 3.5Å; L444-A447 PolarHBondContact O-N 3.28Å; L444-A447 VanDerWaalsContact O-N 3.14Å; D445-A447 VanDerWaalsContact C-N 3.31Å; D445-A447 PolarHBondContact O-N 3.38Å; A447-R450 PolarHBondContact O-N 3.02Å; A447-L451 WeakPolarHBondContact O-CG 3.36Å; A447-L451 PolarHBondContact O-N 3.41Å
448	K	81	Confident	78.6	Confident	70 Å²	70	109.6 Å²	109.6	30%	0.304	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-45	172.7	-70.8	173.1	-177.8	-169.6	0	111.4	L444 D445 R450 L451 Q452 E739	L444-K448 WeakPolarHBondContact O-CG 3.26Å; L444-K448 PolarHBondContact O-N 3.1Å; D445-K448 PolarHBondContact O-N 3.38Å; K448-R450 PolarHBondContact O-N 3.4Å; K448-L451 PolarHBondContact O-N 2.78Å; K448-Q452 WeakPolarHBondContact O-CG 3.35Å; K448-Q452 PolarHBondContact O-N 2.78Å; K448-E739 WeakPolarHBondContact CE-OE1 3.07Å; K448-E739 VanDerWaalsContact CE-OE2 3.32Å; K448-E739 WeakPolarHBondContact CE-OE2 3.27Å; K448-E739 IonicContact NZ-OE1 2.67Å; K448-E739 PolarHBondContact NZ-OE1 2.7Å; K448-E739 IonicContact NZ-OE2 3.67Å; K448-E739 PolarHBondContact NZ-OE2 3.42Å
449	E	82.6	Confident	79.1	Confident	116 Å²	116	110.8 Å²	110.8	54%	0.542	51%	0.506	S	S	.	.	H	α-helix	trans	-60.1	-44.8	176.2	-174	-179	-151.7	0	0	111.8	D445 L451 Q452 E453	D445-E449 PolarHBondContact O-N 3.01Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 3.4Å; E449-Q452 PolarHBondContact O-N 2.74Å; E449-E453 PolarHBondContact O-N 3.03Å
450	R	82.9	Confident	79.9	Confident	191 Å²	191	111.6 Å²	111.6	72%	0.721	51%	0.506	S	S	*	.	H	α-helix	trans	-61	-38.9	175.1	-78	174.1	176.5	-87.2	-2.6	113	L446 A447 K448 E453 E454	L446-R450 VanDerWaalsContact O-CG 3.31Å; L446-R450 WeakPolarHBondContact O-CG 3.42Å; L446-R450 PolarHBondContact O-N 2.87Å; L446-R450 VanDerWaalsContact O-N 3.15Å; A447-R450 PolarHBondContact O-N 3.02Å; K448-R450 PolarHBondContact O-N 3.4Å; R450-E453 PolarHBondContact O-N 2.85Å; R450-E454 WeakPolarHBondContact O-CB 3.22Å; R450-E454 PolarHBondContact O-N 3.41Å
451	L	75.1	Confident	80.8	Confident	125 Å²	125	111.8 Å²	111.8	65%	0.654	51%	0.507	S	S	*	.	H	α-helix	trans	-66.9	-40.4	175	-73.3	168.3	0	0	0	111.7	A447 K448 E449 E454 E455	A447-L451 WeakPolarHBondContact O-CG 3.36Å; A447-L451 PolarHBondContact O-N 3.41Å; K448-L451 PolarHBondContact O-N 2.78Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 3.4Å; L451-E454 PolarHBondContact O-N 3.2Å; L451-E455 WeakPolarHBondContact O-CB 3.37Å; L451-E455 PolarHBondContact O-N 2.97Å
452	Q	82	Confident	81.4	Confident	118 Å²	118	109.6 Å²	109.6	55%	0.551	50%	0.502	S	S	*	.	H	α-helix	trans	-68.1	-34.2	175.3	-70.6	-179.5	4.3	0	0	113.1	K448 E449 R456	K448-Q452 WeakPolarHBondContact O-CG 3.35Å; K448-Q452 PolarHBondContact O-N 2.78Å; E449-Q452 PolarHBondContact O-N 2.74Å; Q452-R456 WeakPolarHBondContact O-CB 3.18Å; Q452-R456 VanDerWaalsContact O-CG 3.3Å; Q452-R456 WeakPolarHBondContact O-CG 3.32Å; Q452-R456 PolarHBondContact O-N 3.34Å; Q452-R456 PolarHBondContact O-NE 2.64Å
453	E	83.8	Confident	82.1	Confident	82 Å²	82	110.1 Å²	110.1	38%	0.383	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-45.7	172	-176.1	61.5	-127.5	0	0	111.3	E449 R450 R456 R457	E449-E453 PolarHBondContact O-N 3.03Å; R450-E453 PolarHBondContact O-N 2.85Å; E453-R456 PolarHBondContact O-N 2.94Å; E453-R456 IonicContact OE1-NH1 2.68Å; E453-R456 PolarHBondContact OE1-NH1 2.94Å; E453-R456 IonicContact OE2-CZ 2.84Å; E453-R456 IonicContact OE2-NH1 3.04Å; E453-R456 PolarHBondContact OE2-NH1 3.05Å; E453-R456 IonicContact OE2-NH2 2.75Å; E453-R456 PolarHBondContact OE2-NH2 3.41Å; E453-R457 WeakPolarHBondContact O-CG 3.42Å; E453-R457 PolarHBondContact O-N 3.23Å
454	E	78	Confident	82.6	Confident	64 Å²	64	103.4 Å²	103.4	30%	0.299	48%	0.484	S	S	.	.	H	α-helix	trans	-66.4	-37.2	177.2	-173.2	67.4	175.7	0	0	111.9	R107 R450 L451 R457 I458	R107-E454 IonicContact CZ-OE1 3.03Å; R107-E454 IonicContact NE-OE1 2.7Å; R107-E454 PolarHBondContact NE-OE1 3.14Å; R107-E454 VanDerWaalsContact NE-OE1 3.15Å; R107-E454 IonicContact NH2-OE1 3.3Å; R107-E454 PolarHBondContact NH2-OE1 3.39Å; R450-E454 WeakPolarHBondContact O-CB 3.22Å; R450-E454 PolarHBondContact O-N 3.41Å; L451-E454 PolarHBondContact O-N 3.2Å; E454-R457 WeakPolarHBondContact O-CB 3.31Å; E454-R457 PolarHBondContact O-N 3.47Å; E454-I458 HydrophobicContact CG-CD1 4.06Å; E454-I458 WeakPolarHBondContact O-CB 3.24Å; E454-I458 VanDerWaalsContact O-CG1 3.25Å; E454-I458 WeakPolarHBondContact O-CG1 3.29Å; E454-I458 PolarHBondContact O-N 3.44Å
455	E	81.2	Confident	83	Confident	133 Å²	133	104 Å²	104	62%	0.621	49%	0.487	S	S	*	.	H	α-helix	trans	-65.2	-41.9	172.6	-175.5	172	-149.4	0	0	112	L451 R457 I458 M459	L451-E455 WeakPolarHBondContact O-CB 3.37Å; L451-E455 PolarHBondContact O-N 2.97Å; E455-R457 VanDerWaalsContact C-N 3.33Å; E455-R457 PolarHBondContact O-N 3.29Å; E455-I458 PolarHBondContact O-N 3.32Å; E455-M459 WeakPolarHBondContact O-CB 3.46Å; E455-M459 PolarHBondContact O-N 2.95Å
456	R	88.7	Confident	83.2	Confident	119 Å²	119	105.2 Å²	105.2	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-38.7	173.1	-77.9	-176.7	-74.4	102.5	-5.1	111.9	Q452 E453 H460	Q452-R456 WeakPolarHBondContact O-CB 3.18Å; Q452-R456 VanDerWaalsContact O-CG 3.3Å; Q452-R456 WeakPolarHBondContact O-CG 3.32Å; Q452-R456 PolarHBondContact O-N 3.34Å; Q452-R456 PolarHBondContact O-NE 2.64Å; E453-R456 PolarHBondContact O-N 2.94Å; E453-R456 IonicContact OE1-NH1 2.68Å; E453-R456 PolarHBondContact OE1-NH1 2.94Å; E453-R456 IonicContact OE2-CZ 2.84Å; E453-R456 IonicContact OE2-NH1 3.04Å; E453-R456 PolarHBondContact OE2-NH1 3.05Å; E453-R456 IonicContact OE2-NH2 2.75Å; E453-R456 PolarHBondContact OE2-NH2 3.41Å; R456-H460 PolarHBondContact O-N 3.12Å; R456-H460 VanDerWaalsContact O-N 3.08Å
457	R	87.4	Confident	83.6	Confident	156 Å²	156	107.1 Å²	107.1	59%	0.589	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-50.3	171.8	-76.7	176.3	163.2	-133.6	-7.2	112	E453 E454 E455 M459 H460 E461	E453-R457 WeakPolarHBondContact O-CG 3.42Å; E453-R457 PolarHBondContact O-N 3.23Å; E454-R457 WeakPolarHBondContact O-CB 3.31Å; E454-R457 PolarHBondContact O-N 3.47Å; E455-R457 VanDerWaalsContact C-N 3.33Å; E455-R457 PolarHBondContact O-N 3.29Å; R457-M459 VanDerWaalsContact C-N 3.3Å; R457-M459 PolarHBondContact O-N 2.93Å; R457-H460 PolarHBondContact O-N 3.3Å; R457-H460 VanDerWaalsContact O-N 3.09Å; R457-E461 WeakPolarHBondContact O-CB 3.39Å; R457-E461 PolarHBondContact O-N 2.97Å
458	I	81.5	Confident	83.9	Confident	82 Å²	82	108.9 Å²	108.9	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-39	178.3	-70.6	165.1	0	0	0	111	E454 E455 H460 E461 K462	E454-I458 HydrophobicContact CG-CD1 4.06Å; E454-I458 WeakPolarHBondContact O-CB 3.24Å; E454-I458 VanDerWaalsContact O-CG1 3.25Å; E454-I458 WeakPolarHBondContact O-CG1 3.29Å; E454-I458 PolarHBondContact O-N 3.44Å; E455-I458 PolarHBondContact O-N 3.32Å; I458-H460 VanDerWaalsContact C-N 3.35Å; I458-H460 PolarHBondContact O-N 3.39Å; I458-E461 PolarHBondContact O-N 2.99Å; I458-K462 VanDerWaalsContact O-CB 3.22Å; I458-K462 WeakPolarHBondContact O-CB 3.38Å; I458-K462 PolarHBondContact O-N 3.16Å
459	M	81.6	Confident	84.2	Confident	99 Å²	99	114.3 Å²	114.3	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-39.7	174.7	-166.8	-156.4	-59.8	0	0	112	E455 R457 R463	E455-M459 WeakPolarHBondContact O-CB 3.46Å; E455-M459 PolarHBondContact O-N 2.95Å; R457-M459 VanDerWaalsContact C-N 3.3Å; R457-M459 PolarHBondContact O-N 2.93Å; M459-R463 WeakPolarHBondContact O-CB 3.18Å; M459-R463 PolarHBondContact O-N 3Å; M459-R463 PolarHBondContact SD-NH2 3.15Å; M459-R463 VanDerWaalsContact SD-NH2 3.42Å
460	H	87.6	Confident	84.6	Confident	122 Å²	122	118.1 Å²	118.1	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-70.6	-42.7	177.4	-164.1	-70.8	0	0	0	112.1	R456 R457 I458 R463 A464	R456-H460 PolarHBondContact O-N 3.12Å; R456-H460 VanDerWaalsContact O-N 3.08Å; R457-H460 PolarHBondContact O-N 3.3Å; R457-H460 VanDerWaalsContact O-N 3.09Å; I458-H460 VanDerWaalsContact C-N 3.35Å; I458-H460 PolarHBondContact O-N 3.39Å; H460-R463 PolarHBondContact O-N 2.92Å; H460-A464 PolarHBondContact O-N 2.91Å
461	E	82.3	Confident	85	Confident	96 Å²	96	115.1 Å²	115.1	45%	0.449	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-47.2	174.4	-176.4	175.1	-155.8	0	0	111	R107 R457 I458 R463 A464 L465	R107-E461 IonicContact NH1-OE2 2.9Å; R457-E461 WeakPolarHBondContact O-CB 3.39Å; R457-E461 PolarHBondContact O-N 2.97Å; I458-E461 PolarHBondContact O-N 2.99Å; E461-R463 VanDerWaalsContact C-N 3.34Å; E461-R463 PolarHBondContact O-N 3.49Å; E461-A464 PolarHBondContact O-N 3.39Å; E461-L465 HydrophobicContact CG-CD1 4.24Å; E461-L465 WeakPolarHBondContact O-CG 3.33Å; E461-L465 PolarHBondContact O-N 2.86Å
462	K	86.1	Confident	85.5	Confident	124 Å²	124	113.8 Å²	113.8	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-56.8	-44.8	173.2	178.2	178.9	171.1	-179	0	111.9	I458 A464 L465 E466	I458-K462 VanDerWaalsContact O-CB 3.22Å; I458-K462 WeakPolarHBondContact O-CB 3.38Å; I458-K462 PolarHBondContact O-N 3.16Å; K462-A464 PolarHBondContact O-N 3.02Å; K462-L465 PolarHBondContact O-N 2.61Å; K462-E466 WeakPolarHBondContact CE-OE1 3.36Å; K462-E466 IonicContact NZ-OE1 3.36Å; K462-E466 WeakPolarHBondContact O-CB 3.46Å; K462-E466 WeakPolarHBondContact O-CG 3.24Å; K462-E466 PolarHBondContact O-N 3.29Å
463	R	89.8	Confident	85.6	Confident	123 Å²	123	113.4 Å²	113.4	46%	0.464	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-39.9	178.7	-171.8	-179.9	-63.7	132.1	4.7	112.1	M459 H460 E461 E466 Q467	M459-R463 WeakPolarHBondContact O-CB 3.18Å; M459-R463 PolarHBondContact O-N 3Å; M459-R463 PolarHBondContact SD-NH2 3.15Å; M459-R463 VanDerWaalsContact SD-NH2 3.42Å; H460-R463 PolarHBondContact O-N 2.92Å; E461-R463 VanDerWaalsContact C-N 3.34Å; E461-R463 PolarHBondContact O-N 3.49Å; R463-E466 PolarHBondContact O-N 3.18Å; R463-Q467 WeakPolarHBondContact O-CG 3.44Å; R463-Q467 PolarHBondContact O-N 3.4Å
464	A	88.9	Confident	85.8	Confident	45 Å²	45	113.2 Å²	113.2	37%	0.372	51%	0.508	S	S	.	.	H	α-helix	trans	-65.9	-43.1	174.9	0	0	0	0	0	111.9	H460 E461 K462 E466 Q467 E468	H460-A464 PolarHBondContact O-N 2.91Å; E461-A464 PolarHBondContact O-N 3.39Å; K462-A464 PolarHBondContact O-N 3.02Å; A464-E466 VanDerWaalsContact C-N 3.35Å; A464-E466 PolarHBondContact O-N 2.84Å; A464-Q467 WeakPolarHBondContact O-CB 3.11Å; A464-Q467 PolarHBondContact O-N 2.87Å; A464-E468 PolarHBondContact O-N 3.04Å
465	L	80.9	Confident	86.2	Confident	116 Å²	116	114 Å²	114	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-35.6	175.1	-70.7	170	0	0	0	112.6	E461 K462 R469	E461-L465 HydrophobicContact CG-CD1 4.24Å; E461-L465 WeakPolarHBondContact O-CG 3.33Å; E461-L465 PolarHBondContact O-N 2.86Å; K462-L465 PolarHBondContact O-N 2.61Å; L465-R469 WeakPolarHBondContact O-CB 3.33Å; L465-R469 PolarHBondContact O-N 3.34Å
466	E	85.7	Confident	86.5	Confident	98 Å²	98	113.3 Å²	113.3	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-69	-34.4	173.1	-76.4	176.6	-178.9	0	0	112.5	K462 R463 A464 R470	K462-E466 WeakPolarHBondContact CE-OE1 3.36Å; K462-E466 IonicContact NZ-OE1 3.36Å; K462-E466 WeakPolarHBondContact O-CB 3.46Å; K462-E466 WeakPolarHBondContact O-CG 3.24Å; K462-E466 PolarHBondContact O-N 3.29Å; R463-E466 PolarHBondContact O-N 3.18Å; A464-E466 VanDerWaalsContact C-N 3.35Å; A464-E466 PolarHBondContact O-N 2.84Å; E466-R470 WeakPolarHBondContact O-CG 3.06Å; E466-R470 PolarHBondContact O-N 3.19Å
467	Q	89	Confident	86.4	Confident	125 Å²	125	112.9 Å²	112.9	58%	0.584	50%	0.504	S	S	*	.	H	α-helix	trans	-67.1	-48.9	172.5	-75.6	172.1	-22.6	0	0	111.6	R463 A464 R469 R470 R471	R463-Q467 WeakPolarHBondContact O-CG 3.44Å; R463-Q467 PolarHBondContact O-N 3.4Å; A464-Q467 WeakPolarHBondContact O-CB 3.11Å; A464-Q467 PolarHBondContact O-N 2.87Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.36Å; Q467-R470 WeakPolarHBondContact O-CB 3.31Å; Q467-R470 PolarHBondContact O-N 3.38Å; Q467-R470 VanDerWaalsContact O-N 3.13Å; Q467-R471 PolarHBondContact O-N 3.01Å
468	E	85.7	Confident	86.3	Confident	82 Å²	82	109.8 Å²	109.8	38%	0.383	50%	0.497	S	S	.	.	H	α-helix	trans	-66.6	-35.2	178.5	-165.3	64.2	-171.2	0	0	111.5	A464 R470 R471 L472	A464-E468 PolarHBondContact O-N 3.04Å; E468-R470 VanDerWaalsContact C-N 3.34Å; E468-R470 PolarHBondContact O-N 2.76Å; E468-R471 WeakPolarHBondContact O-CB 3.45Å; E468-R471 PolarHBondContact O-N 2.81Å; E468-R471 IonicContact OE1-CZ 3.65Å; E468-R471 IonicContact OE1-NH1 2.67Å; E468-R471 PolarHBondContact OE1-NH1 3.37Å; E468-R471 WeakPolarHBondContact OE2-CD 3.41Å; E468-R471 IonicContact OE2-NH1 2.71Å; E468-L472 HydrophobicContact CG-CD1 4.36Å; E468-L472 WeakPolarHBondContact O-CB 3.5Å; E468-L472 WeakPolarHBondContact O-CG 3.41Å; E468-L472 PolarHBondContact O-N 3.11Å
469	R	87.8	Confident	86.4	Confident	185 Å²	185	111.5 Å²	111.5	70%	0.698	50%	0.501	S	S	*	.	H	α-helix	trans	-62.6	-37.8	171.4	-175.1	177.6	-179	-175.8	0.7	112.4	L465 Q467 L473	L465-R469 WeakPolarHBondContact O-CB 3.33Å; L465-R469 PolarHBondContact O-N 3.34Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.36Å; R469-L473 HydrophobicContact CG-CD1 4.41Å; R469-L473 WeakPolarHBondContact O-CD1 3.03Å; R469-L473 VanDerWaalsContact O-CG 3.28Å; R469-L473 WeakPolarHBondContact O-CG 3.41Å; R469-L473 PolarHBondContact O-N 3.17Å; R469-L473 VanDerWaalsContact O-N 3.15Å
470	R	90	Very high	86.1	Confident	196 Å²	196	113.5 Å²	113.5	74%	0.74	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-43.9	172.6	-77.5	178.9	-179.9	-155.9	0.9	111.4	E466 Q467 E468 L473 E474	E466-R470 WeakPolarHBondContact O-CG 3.06Å; E466-R470 PolarHBondContact O-N 3.19Å; Q467-R470 WeakPolarHBondContact O-CB 3.31Å; Q467-R470 PolarHBondContact O-N 3.38Å; Q467-R470 VanDerWaalsContact O-N 3.13Å; E468-R470 VanDerWaalsContact C-N 3.34Å; E468-R470 PolarHBondContact O-N 2.76Å; R470-L473 WeakPolarHBondContact O-CB 3.37Å; R470-L473 PolarHBondContact O-N 3.38Å; R470-E474 PolarHBondContact O-N 2.83Å
471	R	91.5	Very high	85.9	Confident	127 Å²	127	111.4 Å²	111.4	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-58.6	-48.1	176.2	-178.9	-171.6	161.6	-147.6	-8.8	112	Q467 E468 L473 E474 E475	Q467-R471 PolarHBondContact O-N 3.01Å; E468-R471 WeakPolarHBondContact O-CB 3.45Å; E468-R471 PolarHBondContact O-N 2.81Å; E468-R471 IonicContact OE1-CZ 3.65Å; E468-R471 IonicContact OE1-NH1 2.67Å; E468-R471 PolarHBondContact OE1-NH1 3.37Å; E468-R471 WeakPolarHBondContact OE2-CD 3.41Å; E468-R471 IonicContact OE2-NH1 2.71Å; R471-L473 VanDerWaalsContact C-N 3.27Å; R471-L473 PolarHBondContact O-N 3.08Å; R471-E474 WeakPolarHBondContact O-CB 2.96Å; R471-E474 PolarHBondContact O-N 3.27Å; R471-E474 VanDerWaalsContact O-N 3.09Å; R471-E475 HydrophobicContact CG-CG 4.47Å; R471-E475 IonicContact CZ-OE1 3.92Å; R471-E475 IonicContact NE-OE1 3.61Å; R471-E475 PolarHBondContact NE-OE1 2.98Å; R471-E475 IonicContact NH2-OE1 3.77Å; R471-E475 PolarHBondContact NH2-OE1 3.31Å; R471-E475 IonicContact NH2-OE2 3.31Å; R471-E475 PolarHBondContact O-N 3.23Å
472	L	85.7	Confident	85.7	Confident	98 Å²	98	112.1 Å²	112.1	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-27.6	178.1	-70.3	169.5	0	0	0	113	E468 K476	E468-L472 HydrophobicContact CG-CD1 4.36Å; E468-L472 WeakPolarHBondContact O-CB 3.5Å; E468-L472 WeakPolarHBondContact O-CG 3.41Å; E468-L472 PolarHBondContact O-N 3.11Å; L472-K476 WeakPolarHBondContact O-CB 3.32Å; L472-K476 PolarHBondContact O-N 3.28Å; L472-K476 VanDerWaalsContact O-N 3.09Å
473	L	85.3	Confident	85.1	Confident	109 Å²	109	111.1 Å²	111.1	57%	0.571	50%	0.495	S	S	*	.	H	α-helix	trans	-72.3	-37.7	170.5	-75.1	166	0	0	0	112	R469 R470 R471 R477	R469-L473 HydrophobicContact CG-CD1 4.41Å; R469-L473 WeakPolarHBondContact O-CD1 3.03Å; R469-L473 VanDerWaalsContact O-CG 3.28Å; R469-L473 WeakPolarHBondContact O-CG 3.41Å; R469-L473 PolarHBondContact O-N 3.17Å; R469-L473 VanDerWaalsContact O-N 3.15Å; R470-L473 WeakPolarHBondContact O-CB 3.37Å; R470-L473 PolarHBondContact O-N 3.38Å; R471-L473 VanDerWaalsContact C-N 3.27Å; R471-L473 PolarHBondContact O-N 3.08Å; L473-R477 PolarHBondContact O-N 3.05Å
474	E	87.3	Confident	84.5	Confident	79 Å²	79	111.4 Å²	111.4	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-51	175.8	-169.2	64.9	-150.6	0	0	111.4	R470 R471 K476 R477 Q478	R470-E474 PolarHBondContact O-N 2.83Å; R471-E474 WeakPolarHBondContact O-CB 2.96Å; R471-E474 PolarHBondContact O-N 3.27Å; R471-E474 VanDerWaalsContact O-N 3.09Å; E474-K476 VanDerWaalsContact C-N 3.29Å; E474-K476 PolarHBondContact O-N 3.38Å; E474-R477 PolarHBondContact O-N 2.93Å; E474-R477 IonicContact OE1-CZ 2.7Å; E474-R477 VanDerWaalsContact OE1-CZ 3.24Å; E474-R477 IonicContact OE1-NH1 3.73Å; E474-R477 PolarHBondContact OE1-NH1 3.33Å; E474-R477 IonicContact OE1-NH2 3.82Å; E474-R477 PolarHBondContact OE1-NH2 2.84Å; E474-R477 IonicContact OE2-CZ 3.87Å; E474-R477 IonicContact OE2-NH1 2.76Å; E474-R477 PolarHBondContact OE2-NH1 2.94Å; E474-Q478 WeakPolarHBondContact O-CG 3.42Å; E474-Q478 PolarHBondContact O-N 2.88Å
475	E	86.9	Confident	83.8	Confident	79 Å²	79	115.1 Å²	115.1	37%	0.369	51%	0.512	S	S	.	.	H	α-helix	trans	-58.9	-40	175	-70.5	177	176.7	0	0	111.3	R471 Q478 F479	R471-E475 HydrophobicContact CG-CG 4.47Å; R471-E475 IonicContact CZ-OE1 3.92Å; R471-E475 IonicContact NE-OE1 3.61Å; R471-E475 PolarHBondContact NE-OE1 2.98Å; R471-E475 IonicContact NH2-OE1 3.77Å; R471-E475 PolarHBondContact NH2-OE1 3.31Å; R471-E475 IonicContact NH2-OE2 3.31Å; R471-E475 PolarHBondContact O-N 3.23Å; E475-Q478 PolarHBondContact O-N 3.07Å; E475-F479 PolarHBondContact O-N 3.2Å
476	K	86.3	Confident	83.4	Confident	119 Å²	119	118.1 Å²	118.1	52%	0.517	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-36.3	174.1	-178.6	170.6	177.2	175.3	0	112.7	L472 E474 Y480	L472-K476 WeakPolarHBondContact O-CB 3.32Å; L472-K476 PolarHBondContact O-N 3.28Å; L472-K476 VanDerWaalsContact O-N 3.09Å; E474-K476 VanDerWaalsContact C-N 3.29Å; E474-K476 PolarHBondContact O-N 3.38Å; K476-Y480 HydrophobicContact CD-CE2 4.45Å; K476-Y480 HydrophobicContact CG-CD2 4.25Å; K476-Y480 HydrophobicContact CG-CE2 3.92Å; K476-Y480 WeakPolarHBondContact O-CD2 3.4Å; K476-Y480 PolarHBondContact O-N 2.8Å
477	R	87.5	Confident	82.4	Confident	110 Å²	110	116.3 Å²	116.3	42%	0.415	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-46.6	176.4	-160.6	-170.6	74.3	-106.9	-16	110.8	L473 E474 F479 Y480 E481	L473-R477 PolarHBondContact O-N 3.05Å; E474-R477 PolarHBondContact O-N 2.93Å; E474-R477 IonicContact OE1-CZ 2.7Å; E474-R477 VanDerWaalsContact OE1-CZ 3.24Å; E474-R477 IonicContact OE1-NH1 3.73Å; E474-R477 PolarHBondContact OE1-NH1 3.33Å; E474-R477 IonicContact OE1-NH2 3.82Å; E474-R477 PolarHBondContact OE1-NH2 2.84Å; E474-R477 IonicContact OE2-CZ 3.87Å; E474-R477 IonicContact OE2-NH1 2.76Å; E474-R477 PolarHBondContact OE2-NH1 2.94Å; R477-F479 VanDerWaalsContact C-N 3.27Å; R477-F479 PolarHBondContact O-N 3.07Å; R477-Y480 PolarHBondContact O-N 3.21Å; R477-E481 WeakPolarHBondContact CD-OE1 3.46Å; R477-E481 IonicContact CZ-OE1 2.74Å; R477-E481 IonicContact NE-OE1 3.79Å; R477-E481 PolarHBondContact NE-OE1 2.88Å; R477-E481 IonicContact NH2-OE1 2.78Å; R477-E481 PolarHBondContact O-N 3.32Å
478	Q	84.3	Confident	81.1	Confident	92 Å²	92	112.9 Å²	112.9	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-40.5	176.1	-68.8	173.6	10.3	0	0	111.8	E474 E475 Y480 E481 E482	E474-Q478 WeakPolarHBondContact O-CG 3.42Å; E474-Q478 PolarHBondContact O-N 2.88Å; E475-Q478 PolarHBondContact O-N 3.07Å; Q478-Y480 PolarHBondContact O-N 3.13Å; Q478-E481 PolarHBondContact O-N 2.89Å; Q478-E482 PolarHBondContact O-N 2.6Å
479	F	83.8	Confident	79.8	Confident	118 Å²	118	114.1 Å²	114.1	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-36	175.6	-175.9	-99.4	0	0	0	113.9	E475 R477 Q483	E475-F479 PolarHBondContact O-N 3.2Å; R477-F479 VanDerWaalsContact C-N 3.27Å; R477-F479 PolarHBondContact O-N 3.07Å; F479-Q483 WeakPolarHBondContact O-CG 2.94Å; F479-Q483 PolarHBondContact O-N 3.44Å
480	Y	76.6	Confident	78.2	Confident	141 Å²	141	109.5 Å²	109.5	55%	0.553	50%	0.504	S	S	*	.	H	α-helix	trans	-72.1	-43.1	172.7	-77.7	-70.1	0	0	0	112	K476 R477 Q478 E482 Q483 E484	K476-Y480 HydrophobicContact CD-CE2 4.45Å; K476-Y480 HydrophobicContact CG-CD2 4.25Å; K476-Y480 HydrophobicContact CG-CE2 3.92Å; K476-Y480 WeakPolarHBondContact O-CD2 3.4Å; K476-Y480 PolarHBondContact O-N 2.8Å; R477-Y480 PolarHBondContact O-N 3.21Å; Q478-Y480 PolarHBondContact O-N 3.13Å; Y480-E482 VanDerWaalsContact C-N 3.28Å; Y480-E482 PolarHBondContact O-N 3.23Å; Y480-Q483 PolarHBondContact O-N 3.09Å; Y480-Q483 VanDerWaalsContact O-N 3.11Å; Y480-E484 PolarHBondContact O-N 3.2Å
481	E	81.9	Confident	76.4	Confident	77 Å²	77	108 Å²	108	36%	0.36	51%	0.506	S	S	.	.	H	α-helix	trans	-59.2	-38.3	175.7	-70.3	169.8	-165.6	0	0	111.7	R477 Q478 Q485	R477-E481 WeakPolarHBondContact CD-OE1 3.46Å; R477-E481 IonicContact CZ-OE1 2.74Å; R477-E481 IonicContact NE-OE1 3.79Å; R477-E481 PolarHBondContact NE-OE1 2.88Å; R477-E481 IonicContact NH2-OE1 2.78Å; R477-E481 PolarHBondContact O-N 3.32Å; Q478-E481 PolarHBondContact O-N 2.89Å; E481-Q485 WeakPolarHBondContact O-CB 3.36Å; E481-Q485 VanDerWaalsContact O-CG 3.28Å; E481-Q485 WeakPolarHBondContact O-CG 3.24Å; E481-Q485 PolarHBondContact O-N 3.45Å; E481-Q485 PolarHBondContact O-NE2 3.02Å
482	E	78.8	Confident	74.6	Confident	112 Å²	112	111.3 Å²	111.3	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-39	173	-78.6	-163.4	178.6	0	0	113.1	Q478 Y480 R486	Q478-E482 PolarHBondContact O-N 2.6Å; Y480-E482 VanDerWaalsContact C-N 3.28Å; Y480-E482 PolarHBondContact O-N 3.23Å; E482-R486 WeakPolarHBondContact O-CB 3.48Å; E482-R486 VanDerWaalsContact O-CG 3.25Å; E482-R486 WeakPolarHBondContact O-CG 3.31Å; E482-R486 PolarHBondContact O-N 2.96Å
483	Q	73.9	Confident	72.9	Confident	103 Å²	103	113.3 Å²	113.3	48%	0.481	53%	0.528	S	S	.	.	H	α-helix	trans	-68.2	-39.1	176.1	-75.2	-158.7	15.6	0	0	112.1	F479 Y480 R486 S487	F479-Q483 WeakPolarHBondContact O-CG 2.94Å; F479-Q483 PolarHBondContact O-N 3.44Å; Y480-Q483 PolarHBondContact O-N 3.09Å; Y480-Q483 VanDerWaalsContact O-N 3.11Å; Q483-R486 PolarHBondContact O-N 2.75Å; Q483-S487 PolarHBondContact O-N 2.76Å; Q483-S487 PolarHBondContact O-OG 3.27Å
484	E	76.1	Confident	70.9	Confident	129 Å²	129	112.2 Å²	112.2	60%	0.603	54%	0.535	S	S	*	.	H	α-helix	trans	-67.4	-40.9	175.9	-171	172.3	-163.2	0	0	111.6	Y480 R486 S487 V488	Y480-E484 PolarHBondContact O-N 3.2Å; E484-R486 VanDerWaalsContact C-N 3.32Å; E484-R486 PolarHBondContact O-N 3.5Å; E484-S487 PolarHBondContact O-N 3.35Å; E484-S487 PolarHBondContact O-OG 3.09Å; E484-V488 WeakPolarHBondContact O-CB 3.39Å; E484-V488 VanDerWaalsContact O-CG2 3.28Å; E484-V488 WeakPolarHBondContact O-CG2 3.44Å; E484-V488 PolarHBondContact O-N 3.39Å
485	Q	75.9	Confident	69	Low	122 Å²	122	119.6 Å²	119.6	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-62.1	-39.5	171	-74.3	176	55.9	0	0	111.9	E481 I489	E481-Q485 WeakPolarHBondContact O-CB 3.36Å; E481-Q485 VanDerWaalsContact O-CG 3.28Å; E481-Q485 WeakPolarHBondContact O-CG 3.24Å; E481-Q485 PolarHBondContact O-N 3.45Å; E481-Q485 PolarHBondContact O-NE2 3.02Å; Q485-I489 WeakPolarHBondContact O-CB 3.3Å; Q485-I489 WeakPolarHBondContact O-CD1 3.37Å; Q485-I489 WeakPolarHBondContact O-CG1 3.36Å; Q485-I489 PolarHBondContact O-N 3.37Å
486	R	71.1	Confident	67.4	Low	180 Å²	180	121.6 Å²	121.6	68%	0.679	58%	0.579	S	S	*	*	H	α-helix	trans	-65.3	-40	175.6	-77.6	170.6	177.2	-97.8	2.2	112.9	E482 Q483 E484 S490	E482-R486 WeakPolarHBondContact O-CB 3.48Å; E482-R486 VanDerWaalsContact O-CG 3.25Å; E482-R486 WeakPolarHBondContact O-CG 3.31Å; E482-R486 PolarHBondContact O-N 2.96Å; Q483-R486 PolarHBondContact O-N 2.75Å; E484-R486 VanDerWaalsContact C-N 3.32Å; E484-R486 PolarHBondContact O-N 3.5Å; R486-S490 WeakPolarHBondContact O-CB 3.43Å; R486-S490 PolarHBondContact O-N 3.48Å
487	S	65.8	Low	66.1	Low	60 Å²	60	121.4 Å²	121.4	42%	0.42	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-46.1	176	61.7	0	0	0	0	111.5	Q483 E484 I489 S490 E491	Q483-S487 PolarHBondContact O-N 2.76Å; Q483-S487 PolarHBondContact O-OG 3.27Å; E484-S487 PolarHBondContact O-N 3.35Å; E484-S487 PolarHBondContact O-OG 3.09Å; S487-I489 VanDerWaalsContact C-N 3.29Å; S487-I489 PolarHBondContact O-N 2.84Å; S487-S490 CarbonylContact O-C 3.59Å; S487-S490 WeakPolarHBondContact O-CA 3.47Å; S487-S490 PolarHBondContact O-N 2.92Å; S487-E491 PolarHBondContact O-N 3.48Å
488	V	60.1	Low	64.5	Low	53 Å²	53	121.9 Å²	121.9	32%	0.321	61%	0.607	S	S	.	*	H	α-helix	trans	-64.2	-30.6	178.4	173.7	0	0	0	0	112.5	E484 R492	E484-V488 WeakPolarHBondContact O-CB 3.39Å; E484-V488 VanDerWaalsContact O-CG2 3.28Å; E484-V488 WeakPolarHBondContact O-CG2 3.44Å; E484-V488 PolarHBondContact O-N 3.39Å; V488-R492 WeakPolarHBondContact O-CD 3.46Å; V488-R492 VanDerWaalsContact O-CG 3.27Å; V488-R492 WeakPolarHBondContact O-CG 3.35Å
489	I	58.6	Low	63	Low	108 Å²	108	123.1 Å²	123.1	55%	0.554	62%	0.623	S	S	*	*	H	α-helix	trans	-71.5	-43.5	169.8	-71.2	167.1	0	0	0	110.6	Q485 S487 E491 R492	Q485-I489 WeakPolarHBondContact O-CB 3.3Å; Q485-I489 WeakPolarHBondContact O-CD1 3.37Å; Q485-I489 WeakPolarHBondContact O-CG1 3.36Å; Q485-I489 PolarHBondContact O-N 3.37Å; S487-I489 VanDerWaalsContact C-N 3.29Å; S487-I489 PolarHBondContact O-N 2.84Å; I489-E491 VanDerWaalsContact C-N 3.32Å; I489-E491 PolarHBondContact O-N 2.85Å; I489-R492 PolarHBondContact O-N 3.31Å; I489-R492 VanDerWaalsContact O-N 3.16Å
490	S	54	Low	61.7	Low	87 Å²	87	123.1 Å²	123.1	61%	0.608	64%	0.635	S	S	*	*	H	α-helix	trans	-65.8	-30	-179.6	-166	0	0	0	0	113.7	R486 S487	R486-S490 WeakPolarHBondContact O-CB 3.43Å; R486-S490 PolarHBondContact O-N 3.48Å; S487-S490 CarbonylContact O-C 3.59Å; S487-S490 WeakPolarHBondContact O-CA 3.47Å; S487-S490 PolarHBondContact O-N 2.92Å
491	E	53	Low	60	Low	164 Å²	164	121.9 Å²	121.9	77%	0.766	64%	0.644	S	S	*	*	H	α-helix	trans	-77	-20.2	174.4	-71.4	-165.1	125.2	0	0	113.6	S487 I489	S487-E491 PolarHBondContact O-N 3.48Å; I489-E491 VanDerWaalsContact C-N 3.32Å; I489-E491 PolarHBondContact O-N 2.85Å
492	R	53.8	Low	58.2	Low	198 Å²	198	126.4 Å²	126.4	75%	0.747	67%	0.671	S	S	*	*	H	α-helix	trans	-85	-12.7	179.4	-71.3	174.1	-165.3	-123.8	3.6	113.9	V488 I489 A494	V488-R492 WeakPolarHBondContact O-CD 3.46Å; V488-R492 VanDerWaalsContact O-CG 3.27Å; V488-R492 WeakPolarHBondContact O-CG 3.35Å; I489-R492 PolarHBondContact O-N 3.31Å; I489-R492 VanDerWaalsContact O-N 3.16Å; R492-A494 VanDerWaalsContact C-N 3.31Å; R492-A494 PolarHBondContact O-N 2.91Å
493	I	50	Low	56.4	Low	139 Å²	139	124.1 Å²	124.1	71%	0.713	68%	0.678	S	S	*	*	S	Bend	trans	-83.3	81.1	172.5	-57.4	179.4	0	0	0	108.4
494	A	44.1	Very low	54.7	Low	86 Å²	86	124.9 Å²	124.9	71%	0.711	69%	0.689	S	S	*	*			trans	-70.4	152.6	-169.8	0	0	0	0	0	114.5	R492	R492-A494 VanDerWaalsContact C-N 3.31Å; R492-A494 PolarHBondContact O-N 2.91Å
495	R	46.2	Very low	53.1	Low	235 Å²	235	129 Å²	129	89%	0.887	70%	0.7	S	S	*	*			trans	-26.5	134.3	178.5	-58.8	176.1	179.3	-163	-1.1	116.6
496	P	53.3	Low	51.5	Low	120 Å²	120	128.2 Å²	128.2	78%	0.779	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-67.5	148.6	156.7	31.4	-33.9	0	0	0	110.7
497	P	58.6	Low	50	Low	115 Å²	115	125.1 Å²	125.1	75%	0.747	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-73.8	154.2	175.6	31.2	-35.1	0	0	0	112.1
498	P	55.2	Low	48.8	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-71.2	145.1	175.6	30.5	-34.7	0	0	0	111.6
499	P	53	Low	48.1	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-81.9	144.3	-174.6	32.3	-35.5	0	0	0	113.2
500	P	55.8	Low	47.4	Very low	119 Å²	119	131.6 Å²	131.6	77%	0.773	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-74.3	149.5	164.6	32.4	-33.8	0	0	0	111.1
501	P	41.8	Very low	46.7	Very low	114 Å²	114	132.8 Å²	132.8	74%	0.74	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-88.3	140.7	-176.1	34	-34.6	0	0	0	113.5
502	N	43	Very low	46.1	Very low	173 Å²	173	134.8 Å²	134.8	93%	0.925	77%	0.768	S	S	*	*			trans	162.8	163.8	140.2	-86.5	-31	0	0	0	110.3
503	G	40.7	Very low	45.8	Very low	64 Å²	64	130.9 Å²	130.9	66%	0.66	77%	0.771	S	S	*	*			trans	151.2	-15.4	139.1	0	0	0	0	0	123.4
504	V	39.5	Very low	45.4	Very low	119 Å²	119	131.9 Å²	131.9	72%	0.721	77%	0.766	S	S	*	*			trans	65.5	153.3	169.7	-147.9	0	0	0	0	117.4
505	Y	42.4	Very low	45.6	Very low	214 Å²	214	132.9 Å²	132.9	84%	0.839	77%	0.765	S	S	*	*			trans	68.4	137.4	168.1	-56.8	-67.1	0	0	0	118
506	S	40.9	Very low	45.2	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	75%	0.75	S	S	*	*			cis	-159.6	175.2	-15.1	-137.8	0	0	0	0	112.4
507	S	40.4	Very low	44.5	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	75%	0.752	S	S	*	*			trans	-54.1	169.5	177.4	-39.7	0	0	0	0	115.1
508	A	41.3	Very low	43.6	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	75%	0.748	S	S	*	*			cis	-152.4	-167	15.3	0	0	0	0	0	110.2
509	T	45.3	Very low	42.9	Very low	119 Å²	119	133.2 Å²	133.2	73%	0.73	74%	0.742	S	S	*	*			cis	-162.6	178.7	12.8	-21.4	0	0	0	0	110.3
510	L	42.6	Very low	42.4	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	74%	0.739	S	S	*	*			trans	56.7	104.7	154	-62.9	159.1	0	0	0	117.9
511	S	39.4	Very low	41.7	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	74%	0.742	S	S	*	*			cis	86.8	141.2	23.2	-51.8	0	0	0	0	117.3
512	R	42	Very low	41.8	Very low	207 Å²	207	136.3 Å²	136.3	78%	0.781	74%	0.742	S	S	*	*			cis	-174.1	135.4	-23.2	-176.5	178.3	-172.7	-145.5	8	113.3
513	S	46	Very low	41.4	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	74%	0.74	S	S	*	*			trans	-174.7	143.4	163.3	47.7	0	0	0	0	110.3
514	R	43	Very low	41.4	Very low	160 Å²	160	144 Å²	144	60%	0.604	75%	0.75	S	S	*	*			cis	60.8	153.1	-7.9	-97.7	-157.2	162.8	-176.6	-0.3	119.2	E516	R514-E516 VanDerWaalsContact CZ-CD 3.49Å; R514-E516 IonicContact CZ-OE1 2.88Å; R514-E516 IonicContact NE-OE1 3.98Å; R514-E516 PolarHBondContact NE-OE1 2.89Å; R514-E516 IonicContact NH2-OE1 2.67Å; R514-E516 PolarHBondContact NH2-OE1 3.04Å; R514-E516 IonicContact NH2-OE2 2.68Å; R514-E516 PolarHBondContact NH2-OE2 3.06Å
515	P	46.6	Very low	41.3	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	75%	0.75	S	S	*	*			cis	-139	146.8	7.8	33.3	-11.1	0	0	0	120.9
516	E	37.9	Very low	41.1	Very low	121 Å²	121	139.5 Å²	139.5	57%	0.565	75%	0.749	S	S	*	*				48.8	140.6	124.6	-48.9	-69.6	138.2	0	0	124.3	R514	R514-E516 VanDerWaalsContact CZ-CD 3.49Å; R514-E516 IonicContact CZ-OE1 2.88Å; R514-E516 IonicContact NE-OE1 3.98Å; R514-E516 PolarHBondContact NE-OE1 2.89Å; R514-E516 IonicContact NH2-OE1 2.67Å; R514-E516 PolarHBondContact NH2-OE1 3.04Å; R514-E516 IonicContact NH2-OE2 2.68Å; R514-E516 PolarHBondContact NH2-OE2 3.06Å
517	L	39.3	Very low	40.8	Very low	155 Å²	155	141.7 Å²	141.7	81%	0.812	75%	0.752	S	S	*	*				-158	119.9	120.2	-142.4	77.2	0	0	0	114.6
518	Y	40.6	Very low	40.7	Very low	170 Å²	170	147.8 Å²	147.8	67%	0.667	76%	0.757	S	S	*	*			trans	50.9	124.4	146.3	-84.1	-123.7	0	0	0	120.7
519	K	38.8	Very low	40.2	Very low	151 Å²	151	155.9 Å²	155.9	66%	0.657	77%	0.769	S	S	*	*				79.4	145	64.1	-82.8	-176	158.3	-164.1	0	114.2
520	D	42.8	Very low	39.5	Very low	131 Å²	131	153.4 Å²	153.4	70%	0.701	77%	0.767	S	S	*	*			cis	-138.5	175.3	9	-86.1	-54.3	0	0	0	112
521	M	40.8	Very low	39	Very low	171 Å²	171	153 Å²	153	84%	0.842	77%	0.771	S	S	*	*			trans	-142.9	139.9	173.3	-85.8	-107.3	79.6	0	0	111.4
522	P	45.1	Very low	39	Very low	114 Å²	114	153.5 Å²	153.5	74%	0.74	77%	0.769	S	S	*	*			trans	-95.7	156.1	158.7	20.4	-3.8	0	0	0	112.1
523	R	34.8	Very low	39.2	Very low	232 Å²	232	147.1 Å²	147.1	88%	0.875	75%	0.754	S	S	*	*			trans	-112.9	139.6	170.5	-63.5	172.4	176	167.5	-3.4	109.1
524	D	40	Very low	39.8	Very low	165 Å²	165	146.5 Å²	146.5	88%	0.882	74%	0.742	S	S	*	*			trans	-147.4	126.7	136.7	-77.6	-52.3	0	0	0	105.5
525	A	38.2	Very low	40.6	Very low	87 Å²	87	144.1 Å²	144.1	72%	0.719	74%	0.738	S	S	*	*			cis	83	68.8	33.5	0	0	0	0	0	114.4
526	D	37	Very low	41.7	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	74%	0.735	S	S	*	*			trans	-146.9	160.6	139.6	-138.2	-21.6	0	0	0	114.5
527	L	35.5	Very low	43.4	Very low	153 Å²	153	141.4 Å²	141.4	80%	0.801	73%	0.729	S	S	*	*			trans	-73.8	141.3	-168.6	-63	142.5	0	0	0	113
528	R	36.9	Very low	45.1	Very low	243 Å²	243	137.7 Å²	137.7	92%	0.917	71%	0.707	S	S	*	*				-163.7	139.4	108	-73.2	-138.2	172.5	166.5	0.6	111.5
529	R	30.6	Very low	46.9	Very low	256 Å²	256	131.2 Å²	131.2	97%	0.966	68%	0.683	S	S	*	*			trans	-76.2	135	162	-76.1	-178.5	171.4	-168.4	-2.6	109.1
530	G	31.5	Very low	48.6	Very low	67 Å²	67	128.7 Å²	128.7	69%	0.691	67%	0.674	S	S	*	*			trans	-129	129.5	161.1	0	0	0	0	0	108.9
531	V	33.1	Very low	50.4	Low	142 Å²	142	125.8 Å²	125.8	86%	0.861	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-79.8	119.5	170.3	177.2	0	0	0	0	106.9	P533	V531-P533 WeakPolarHBondContact O-CD 3.44Å
532	V	38.6	Very low	52.3	Low	123 Å²	123	119.9 Å²	119.9	75%	0.745	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-75.5	119	173.6	-177.3	0	0	0	0	107.7
533	P	45.8	Very low	54.1	Low	73 Å²	73	115.4 Å²	115.4	47%	0.474	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-69.1	158.8	173.4	-15.7	31.8	0	0	0	111	V531 E535	V531-P533 WeakPolarHBondContact O-CD 3.44Å; P533-E535 PolarHBondContact O-N 3.25Å; P533-E535 VanDerWaalsContact O-N 3.09Å
534	D	58.2	Low	56.2	Low	103 Å²	103	110.5 Å²	110.5	55%	0.551	59%	0.59	S	S	*	*			trans	-66.9	107	169.6	179.6	9.1	0	0	0	110	N536 A537 Q538	D534-N536 PolarHBondContact O-N 2.81Å; D534-N536 WeakPolarHBondContact OD1-CB 3.41Å; D534-N536 PolarHBondContact OD1-N 2.65Å; D534-N536 VanDerWaalsContact OD1-N 3.11Å; D534-A537 HydrophobicContact CB-CB 4.05Å; D534-A537 PolarHBondContact O-N 3.16Å; D534-A537 VanDerWaalsContact O-N 3.13Å; D534-Q538 PolarHBondContact O-N 3.17Å
535	E	61.3	Low	58.2	Low	110 Å²	110	107.2 Å²	107.2	51%	0.514	57%	0.57	S	S	.	*	H	α-helix	trans	-57.8	-31.3	-179.5	-66.5	-172.6	144.6	0	0	111.8	P533 Q538 Q539 R571	P533-E535 PolarHBondContact O-N 3.25Å; P533-E535 VanDerWaalsContact O-N 3.09Å; E535-Q538 PolarHBondContact O-N 2.76Å; E535-Q539 WeakPolarHBondContact O-CG 3.37Å; E535-Q539 PolarHBondContact O-N 3Å; E535-Q539 VanDerWaalsContact O-N 3.17Å; E535-R571 VanDerWaalsContact CD-NH1 3.29Å; E535-R571 IonicContact OE1-CZ 2.79Å; E535-R571 IonicContact OE1-NH1 2.69Å; E535-R571 PolarHBondContact OE1-NH1 3.48Å; E535-R571 IonicContact OE2-NH1 3Å; E535-R571 PolarHBondContact OE2-NH1 3.22Å
536	N	68.9	Low	60.1	Low	119 Å²	119	103.1 Å²	103.1	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-69.2	-39.2	177.6	-73.8	-31.2	0	0	0	112.2	D534 Q538 Q539 M540	D534-N536 PolarHBondContact O-N 2.81Å; D534-N536 WeakPolarHBondContact OD1-CB 3.41Å; D534-N536 PolarHBondContact OD1-N 2.65Å; D534-N536 VanDerWaalsContact OD1-N 3.11Å; N536-Q538 VanDerWaalsContact C-N 3.29Å; N536-Q538 PolarHBondContact O-N 2.66Å; N536-Q539 PolarHBondContact O-N 3.16Å; N536-M540 WeakPolarHBondContact O-CG 3.34Å; N536-M540 PolarHBondContact O-N 3.03Å
537	A	73.7	Confident	61.9	Low	53 Å²	53	101.9 Å²	101.9	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-38	178.5	0	0	0	0	0	111.3	D534 S541	D534-A537 HydrophobicContact CB-CB 4.05Å; D534-A537 PolarHBondContact O-N 3.16Å; D534-A537 VanDerWaalsContact O-N 3.13Å; A537-S541 PolarHBondContact O-N 3.45Å; A537-S541 PolarHBondContact O-OG 2.92Å
538	Q	75.4	Confident	63.8	Low	77 Å²	77	104 Å²	104	36%	0.36	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-49.2	174.4	-64.7	-171.7	-12.1	0	0	111.6	D534 E535 N536 M540 S541 F542	D534-Q538 PolarHBondContact O-N 3.17Å; E535-Q538 PolarHBondContact O-N 2.76Å; N536-Q538 VanDerWaalsContact C-N 3.29Å; N536-Q538 PolarHBondContact O-N 2.66Å; Q538-M540 VanDerWaalsContact C-N 3.32Å; Q538-M540 PolarHBondContact O-N 3.24Å; Q538-S541 PolarHBondContact O-N 3.18Å; Q538-S541 PolarHBondContact O-OG 3.47Å; Q538-F542 PolarHBondContact O-N 3.36Å
539	Q	78.4	Confident	65.7	Low	34 Å²	34	98.1 Å²	98.1	16%	0.159	50%	0.503	C	S	.	.	H	α-helix	trans	-57.5	-41.4	177.3	-74.1	-69.6	-21.8	0	0	113	E535 N536 F543 F575	E535-Q539 WeakPolarHBondContact O-CG 3.37Å; E535-Q539 PolarHBondContact O-N 3Å; E535-Q539 VanDerWaalsContact O-N 3.17Å; N536-Q539 PolarHBondContact O-N 3.16Å; Q539-F543 PolarHBondContact O-N 3.44Å; Q539-F543 VanDerWaalsContact O-N 3.11Å; Q539-F575 HydrophobicContact CB-CD2 4.49Å
540	M	74.9	Confident	67.6	Low	97 Å²	97	89.1 Å²	89.1	48%	0.478	49%	0.49	S	S	.	.	H	α-helix	trans	-66.2	-43.7	175.6	-71.8	-60.4	-58.4	0	0	112.4	N536 Q538 F542 F543 E544 F575	N536-M540 WeakPolarHBondContact O-CG 3.34Å; N536-M540 PolarHBondContact O-N 3.03Å; Q538-M540 VanDerWaalsContact C-N 3.32Å; Q538-M540 PolarHBondContact O-N 3.24Å; M540-F542 VanDerWaalsContact C-N 3.32Å; M540-F542 PolarHBondContact O-N 3.12Å; M540-F543 PolarHBondContact O-N 2.79Å; M540-E544 PolarHBondContact O-N 2.9Å; M540-F575 HydrophobicContact SD-CE2 4.07Å
541	S	80.4	Confident	69.5	Low	70 Å²	70	87.1 Å²	87.1	49%	0.49	47%	0.467	S	S	.	.	H	α-helix	trans	-62.6	-37.2	177.6	67.7	0	0	0	0	112.9	A537 Q538 E544 E545	A537-S541 PolarHBondContact O-N 3.45Å; A537-S541 PolarHBondContact O-OG 2.92Å; Q538-S541 PolarHBondContact O-N 3.18Å; Q538-S541 PolarHBondContact O-OG 3.47Å; S541-E544 PolarHBondContact O-N 3.42Å; S541-E545 PolarHBondContact O-N 3.03Å
542	F	80.1	Confident	71.3	Confident	48 Å²	48	85.1 Å²	85.1	21%	0.211	45%	0.447	C	S	.	.	H	α-helix	trans	-66.6	-41.3	174.5	-176.8	-121.2	0	0	0	112.1	Q538 M540 E544 E545 L546 F575	Q538-F542 PolarHBondContact O-N 3.36Å; M540-F542 VanDerWaalsContact C-N 3.32Å; M540-F542 PolarHBondContact O-N 3.12Å; F542-E544 VanDerWaalsContact C-N 3.34Å; F542-E544 PolarHBondContact O-N 3.27Å; F542-E545 PolarHBondContact O-N 3.14Å; F542-L546 HydrophobicContact CD1-CD1 4.2Å; F542-L546 HydrophobicContact CE1-CD1 3.81Å; F542-L546 HydrophobicContact CE1-CG 4.39Å; F542-L546 HydrophobicContact CE2-CD2 4.29Å; F542-L546 HydrophobicContact CE2-CG 4.36Å; F542-L546 HydrophobicContact CZ-CD1 4.04Å; F542-L546 HydrophobicContact CZ-CD2 4.18Å; F542-L546 HydrophobicContact CZ-CG 4.23Å; F542-L546 WeakPolarHBondContact O-CG 3.45Å; F542-L546 PolarHBondContact O-N 3.34Å; F542-F575 WeakPolarHBondContact CD1-O 3.48Å; F542-F575 VanDerWaalsContact CE1-O 3.3Å; F542-F575 WeakPolarHBondContact CE1-O 3.36Å
543	F	82.3	Confident	73.2	Confident	19 Å²	19	79.4 Å²	79.4	8%	0.083	41%	0.413	C	S	.	.	H	α-helix	trans	-62.8	-37.6	174.1	177.7	-108.4	0	0	0	113	Q539 M540 R547 A553 F575 V604	Q539-F543 PolarHBondContact O-N 3.44Å; Q539-F543 VanDerWaalsContact O-N 3.11Å; M540-F543 PolarHBondContact O-N 2.79Å; F543-R547 HydrophobicContact CZ-CG 4.37Å; F543-R547 PolarHBondContact O-N 3.34Å; F543-A553 HydrophobicContact CD2-CB 4.01Å; F543-A553 HydrophobicContact CE2-CB 3.88Å; F543-F575 HydrophobicContact CB-CB 4.11Å; F543-F575 HydrophobicContact CB-CD1 4.25Å; F543-F575 HydrophobicContact CB-CD2 3.79Å; F543-F575 HydrophobicContact CB-CE2 4.21Å; F543-F575 HydrophobicContact CB-CG 3.8Å; F543-F575 HydrophobicContact CD2-CB 4.4Å; F543-F575 AromaticContact CD2-CD1 3.5Å; F543-F575 HydrophobicContact CD2-CD1 3.5Å; F543-F575 VanDerWaalsContact CD2-CD1 3.5Å; F543-F575 AromaticContact CD2-CE1 3.77Å; F543-F575 HydrophobicContact CD2-CE1 3.77Å; F543-F575 AromaticContact CD2-CG 3.91Å; F543-F575 HydrophobicContact CD2-CG 3.91Å; F543-F575 HydrophobicContact CD2-CZ 4.39Å; F543-F575 HydrophobicContact CE2-CD1 4.08Å; F543-F575 HydrophobicContact CE2-CE1 4.04Å; F543-F575 HydrophobicContact CG-CD1 4.01Å; F543-F575 HydrophobicContact CG-CD2 4.26Å; F543-F575 HydrophobicContact CG-CE1 4.11Å; F543-F575 HydrophobicContact CG-CE2 4.36Å; F543-F575 HydrophobicContact CG-CG 4.07Å; F543-F575 HydrophobicContact CG-CZ 4.28Å; F543-V604 HydrophobicContact CE2-CB 4.12Å; F543-V604 HydrophobicContact CE2-CG1 3.73Å; F543-V604 HydrophobicContact CZ-CG1 3.65Å
544	E	80.1	Confident	74.9	Confident	130 Å²	130	76 Å²	76	61%	0.607	39%	0.391	S	S	*	.	H	α-helix	trans	-67.3	-38.1	172.9	-70.4	-172.2	160	0	0	112.4	M540 S541 F542 R547 F548	M540-E544 PolarHBondContact O-N 2.9Å; S541-E544 PolarHBondContact O-N 3.42Å; F542-E544 VanDerWaalsContact C-N 3.34Å; F542-E544 PolarHBondContact O-N 3.27Å; E544-R547 WeakPolarHBondContact O-CB 3.23Å; E544-R547 PolarHBondContact O-N 3.34Å; E544-F548 WeakPolarHBondContact O-CB 3.35Å; E544-F548 PolarHBondContact O-N 3.44Å
545	E	81.6	Confident	76.2	Confident	96 Å²	96	74.5 Å²	74.5	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-63.4	-43.7	173.7	-166.8	-172.7	170.1	0	0	112	S541 F542 R547 F548 K549	S541-E545 PolarHBondContact O-N 3.03Å; F542-E545 PolarHBondContact O-N 3.14Å; E545-R547 PolarHBondContact O-N 2.89Å; E545-F548 PolarHBondContact O-N 2.9Å; E545-K549 VanDerWaalsContact CD-NZ 3.33Å; E545-K549 HydrophobicContact CG-CD 4.38Å; E545-K549 WeakPolarHBondContact O-CG 3.31Å; E545-K549 PolarHBondContact O-N 3.48Å; E545-K549 WeakPolarHBondContact OE1-CE 3.42Å; E545-K549 IonicContact OE1-NZ 2.67Å; E545-K549 PolarHBondContact OE1-NZ 3.44Å
546	L	78.9	Confident	77.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-42.1	175.3	-67.9	180	0	0	0	112	F542 K549 G550 A551 A553 E577	F542-L546 HydrophobicContact CD1-CD1 4.2Å; F542-L546 HydrophobicContact CE1-CD1 3.81Å; F542-L546 HydrophobicContact CE1-CG 4.39Å; F542-L546 HydrophobicContact CE2-CD2 4.29Å; F542-L546 HydrophobicContact CE2-CG 4.36Å; F542-L546 HydrophobicContact CZ-CD1 4.04Å; F542-L546 HydrophobicContact CZ-CD2 4.18Å; F542-L546 HydrophobicContact CZ-CG 4.23Å; F542-L546 WeakPolarHBondContact O-CG 3.45Å; F542-L546 PolarHBondContact O-N 3.34Å; L546-K549 PolarHBondContact O-N 3.15Å; L546-G550 PolarHBondContact O-N 2.98Å; L546-A551 HydrophobicContact CB-CB 4.49Å; L546-A551 HydrophobicContact CD2-CB 4.08Å; L546-A551 PolarHBondContact O-N 3.17Å; L546-A553 HydrophobicContact CD1-CB 4.22Å; L546-E577 HydrophobicContact CD1-CB 4.19Å; L546-E577 HydrophobicContact CD2-CB 3.73Å; L546-E577 HydrophobicContact CD2-CG 3.76Å
547	R	74.4	Confident	78.1	Confident	126 Å²	126	65.8 Å²	65.8	48%	0.475	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-45.3	171.3	-89.7	-175.4	163.3	-161.4	-5.4	112.1	F543 E544 E545 K549 G550	F543-R547 HydrophobicContact CZ-CG 4.37Å; F543-R547 PolarHBondContact O-N 3.34Å; E544-R547 WeakPolarHBondContact O-CB 3.23Å; E544-R547 PolarHBondContact O-N 3.34Å; E545-R547 PolarHBondContact O-N 2.89Å; R547-K549 VanDerWaalsContact C-N 3.33Å; R547-K549 PolarHBondContact O-N 3.47Å; R547-G550 PolarHBondContact O-N 3.43Å; R547-G550 VanDerWaalsContact O-N 3.14Å
548	F	75.7	Confident	78.6	Confident	198 Å²	198	70.2 Å²	70.2	87%	0.868	35%	0.346	S	S	*	.	H	α-helix	trans	-66.7	-34.4	-178.9	-168.2	-92.7	0	0	0	112.5	E544 E545 G550	E544-F548 WeakPolarHBondContact O-CB 3.35Å; E544-F548 PolarHBondContact O-N 3.44Å; E545-F548 PolarHBondContact O-N 2.9Å; F548-G550 VanDerWaalsContact C-N 3.27Å; F548-G550 PolarHBondContact O-N 3.48Å
549	K	75.1	Confident	79.2	Confident	119 Å²	119	73.1 Å²	73.1	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-73.3	-13	173.2	-71	172.5	-176.9	167.1	0	114	E545 L546 R547 A551	E545-K549 VanDerWaalsContact CD-NZ 3.33Å; E545-K549 HydrophobicContact CG-CD 4.38Å; E545-K549 WeakPolarHBondContact O-CG 3.31Å; E545-K549 PolarHBondContact O-N 3.48Å; E545-K549 WeakPolarHBondContact OE1-CE 3.42Å; E545-K549 IonicContact OE1-NZ 2.67Å; E545-K549 PolarHBondContact OE1-NZ 3.44Å; L546-K549 PolarHBondContact O-N 3.15Å; R547-K549 VanDerWaalsContact C-N 3.33Å; R547-K549 PolarHBondContact O-N 3.47Å; K549-A551 HydrophobicContact CB-CB 4.4Å; K549-A551 PolarHBondContact O-N 2.89Å
550	G	71.5	Confident	79.3	Confident	67 Å²	67	74.2 Å²	74.2	69%	0.691	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	17.5	-170.9	0	0	0	0	0	113.8	L546 R547 F548	L546-G550 PolarHBondContact O-N 2.98Å; R547-G550 PolarHBondContact O-N 3.43Å; R547-G550 VanDerWaalsContact O-N 3.14Å; F548-G550 VanDerWaalsContact C-N 3.27Å; F548-G550 PolarHBondContact O-N 3.48Å
551	A	70.2	Confident	79.8	Confident	25 Å²	25	74.1 Å²	74.1	21%	0.207	37%	0.369	C	S	.	.			trans	-72.8	152.9	177	0	0	0	0	0	110.7	L546 K549 E577	L546-A551 HydrophobicContact CB-CB 4.49Å; L546-A551 HydrophobicContact CD2-CB 4.08Å; L546-A551 PolarHBondContact O-N 3.17Å; K549-A551 HydrophobicContact CB-CB 4.4Å; K549-A551 PolarHBondContact O-N 2.89Å; A551-E577 HydrophobicContact CB-CG 4.17Å; A551-E577 WeakPolarHBondContact CB-OE1 3.35Å
552	K	71.8	Confident	79.8	Confident	100 Å²	100	72 Å²	72	44%	0.435	36%	0.358	S	S	.	.			trans	-75.8	132	170.8	-72	-178.6	174.7	179.1	0	108.9	A578	K552-A578 HydrophobicContact CB-CB 3.89Å; K552-A578 WeakPolarHBondContact O-CB 3.48Å; K552-A578 PolarHBondContact O-N 2.84Å
553	A	79.2	Confident	79.5	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.033	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.6	178.1	0	0	0	0	0	110.7	F543 L546 L576 V604	F543-A553 HydrophobicContact CD2-CB 4.01Å; F543-A553 HydrophobicContact CE2-CB 3.88Å; L546-A553 HydrophobicContact CD1-CB 4.22Å; A553-L576 WeakPolarHBondContact CA-O 3.17Å; A553-V604 PolarHBondContact O-N 2.97Å
554	A	81.1	Confident	79	Confident	2 Å²	2	81.5 Å²	81.5	2%	0.017	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.3	172	0	0	0	0	0	110.6	F575 L576 L601 T602	A554-F575 WeakPolarHBondContact O-CA 3.26Å; A554-L576 PolarHBondContact N-O 3.08Å; A554-L576 PolarHBondContact O-N 3.25Å; A554-L601 HydrophobicContact CB-CB 4.31Å; A554-T602 CarbonylContact C-O 3.6Å; A554-T602 WeakPolarHBondContact CA-O 3.41Å
555	Q	86	Confident	78.6	Confident	70 Å²	70	80.4 Å²	80.4	33%	0.327	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.1	176.6	-170.4	175.8	40.3	0	0	111.4	T557 G573 E574 F575 L601 T602 V604	Q555-T557 PolarHBondContact O-N 3.36Å; Q555-T557 PolarHBondContact O-OG1 2.97Å; Q555-G573 PolarHBondContact NE2-O 2.93Å; Q555-E574 WeakPolarHBondContact CA-O 3.44Å; Q555-F575 HydrophobicContact CB-CD1 4.06Å; Q555-F575 HydrophobicContact CB-CE1 3.97Å; Q555-F575 HydrophobicContact CG-CD1 4.22Å; Q555-F575 HydrophobicContact CG-CE1 3.98Å; Q555-F575 HydrophobicContact CG-CZ 4.48Å; Q555-L601 WeakPolarHBondContact O-CA 3.27Å; Q555-T602 PolarHBondContact N-O 2.78Å; Q555-T602 PolarHBondContact O-N 2.95Å; Q555-V604 HydrophobicContact CB-CG2 4.03Å
556	V	86.3	Confident	78.1	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.012	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.5	177.7	-176.5	0	0	0	0	110.9	Y558 V570 R571 G573 E574 L576 L601	V556-Y558 WeakPolarHBondContact CG1-O 3.38Å; V556-V570 HydrophobicContact CG1-CB 4.1Å; V556-V570 HydrophobicContact CG1-CG2 3.87Å; V556-V570 HydrophobicContact CG2-CB 3.97Å; V556-V570 HydrophobicContact CG2-CG1 4.4Å; V556-V570 HydrophobicContact CG2-CG2 4.37Å; V556-R571 WeakPolarHBondContact CB-O 3.39Å; V556-R571 WeakPolarHBondContact CG1-O 3.46Å; V556-G573 PolarHBondContact O-N 3.44Å; V556-E574 HydrophobicContact CB-CB 4.48Å; V556-E574 HydrophobicContact CG2-CB 4.03Å; V556-E574 PolarHBondContact N-O 3.45Å; V556-L576 HydrophobicContact CG2-CD1 3.32Å; V556-L576 HydrophobicContact CG2-CD2 4.46Å; V556-L576 HydrophobicContact CG2-CG 3.93Å; V556-L601 HydrophobicContact CG2-CD2 3.98Å
557	T	83.2	Confident	77.9	Confident	44 Å²	44	85.5 Å²	85.5	27%	0.27	44%	0.442	S	S	.	.	S	Bend	trans	-89	-29.9	-175.3	-49.2	0	0	0	0	112	Q555 K572 I600 T602	Q555-T557 PolarHBondContact O-N 3.36Å; Q555-T557 PolarHBondContact O-OG1 2.97Å; T557-K572 WeakPolarHBondContact O-CD 3.43Å; T557-K572 WeakPolarHBondContact O-CE 3.44Å; T557-K572 WeakPolarHBondContact O-CG 3.3Å; T557-I600 WeakPolarHBondContact CB-O 3.4Å; T557-I600 PolarHBondContact N-O 3.31Å; T557-I600 PolarHBondContact OG1-O 3Å; T557-T602 PolarHBondContact OG1-OG1 2.78Å
558	Y	84.3	Confident	77.9	Confident	147 Å²	147	80.9 Å²	80.9	58%	0.576	43%	0.426	S	S	*	.	S	Bend	trans	-139.4	138.4	178.2	-64.2	-84.2	0	0	0	110.4	V556 I600	V556-Y558 WeakPolarHBondContact CG1-O 3.38Å; Y558-I600 HydrophobicContact CD2-CG2 4.25Å
559	E	87.5	Confident	78.1	Confident	138 Å²	138	75.4 Å²	75.4	65%	0.645	41%	0.413	S	S	*	.			trans	-68.8	137	173.3	175.6	167.4	-162.5	0	0	111	V570 K572	E559-V570 CarbonylContact C-O 3.59Å; E559-V570 VanDerWaalsContact CA-O 3.27Å; E559-V570 WeakPolarHBondContact CA-O 3.27Å; E559-V570 WeakPolarHBondContact CG-O 3.41Å; E559-K572 HydrophobicContact CB-CB 4.41Å
560	R	81.4	Confident	78.6	Confident	57 Å²	57	70.1 Å²	70.1	22%	0.215	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-148.6	122.9	176.3	179.9	169.8	178.4	-106.2	2.3	110.6	E567 S569 V570 I600	R560-E567 IonicContact CZ-OE1 2.71Å; R560-E567 VanDerWaalsContact CZ-OE1 3.23Å; R560-E567 IonicContact CZ-OE2 3.85Å; R560-E567 VanDerWaalsContact NH1-CD 3.26Å; R560-E567 IonicContact NH1-OE1 3.42Å; R560-E567 PolarHBondContact NH1-OE1 2.66Å; R560-E567 IonicContact NH1-OE2 2.9Å; R560-E567 PolarHBondContact NH1-OE2 3.13Å; R560-E567 VanDerWaalsContact NH2-CD 3.28Å; R560-E567 IonicContact NH2-OE1 2.68Å; R560-E567 PolarHBondContact NH2-OE1 2.86Å; R560-E567 IonicContact NH2-OE2 3.82Å; R560-E567 PolarHBondContact NH2-OE2 2.94Å; R560-S569 WeakPolarHBondContact O-CA 3.26Å; R560-V570 HydrophobicContact CB-CG2 4.41Å; R560-V570 PolarHBondContact N-O 3.2Å; R560-V570 PolarHBondContact O-N 2.96Å; R560-I600 HydrophobicContact CB-CD1 3.82Å
561	P	83.8	Confident	79.1	Confident	95 Å²	95	72.7 Å²	72.7	62%	0.617	38%	0.379	S	S	*	.			trans	-72.6	142	168	30.9	-33.6	0	0	0	110.7
562	G	80.4	Confident	79.7	Confident	26 Å²	26	78.6 Å²	78.6	27%	0.268	40%	0.4	S	S	.	.			trans	-69.4	132.3	176.3	0	0	0	0	0	111.8	S569	G562-S569 PolarHBondContact N-OG 3.42Å
563	Q	74.3	Confident	80.2	Confident	155 Å²	155	75.2 Å²	75.2	72%	0.724	39%	0.394	S	S	*	.	S	Bend	trans	-95.5	-0.5	-174	-54.4	-179.3	-68.5	0	0	113	E567	Q563-E567 VanDerWaalsContact CB-OE2 3.31Å; Q563-E567 WeakPolarHBondContact CB-OE2 3.29Å; Q563-E567 PolarHBondContact N-OE2 3.4Å
564	N	72.3	Confident	80.5	Confident	110 Å²	110	76.9 Å²	76.9	59%	0.588	40%	0.401	S	S	*	.	S	Bend	trans	-157.3	160.3	-179	-168.4	-10.6	0	0	0	109	K566 E567	N564-K566 PolarHBondContact O-N 3.17Å; N564-E567 PolarHBondContact O-N 3.2Å
565	A	72.3	Confident	80.6	Confident	108 Å²	108	77.9 Å²	77.9	89%	0.893	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	2.3	175	0	0	0	0	0	114.8
566	K	69.8	Low	80.4	Confident	164 Å²	164	74.6 Å²	74.6	71%	0.713	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-9.3	171.4	-65.3	-171.4	175.9	-172.7	0	113.6	N564 F595	N564-K566 PolarHBondContact O-N 3.17Å; K566-F595 VanDerWaalsContact O-CB 3.24Å; K566-F595 WeakPolarHBondContact O-CB 3.49Å; K566-F595 PolarHBondContact O-N 2.7Å
567	E	74.6	Confident	80.1	Confident	39 Å²	39	77 Å²	77	18%	0.182	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-104.5	136.3	177.9	-62.3	-157.5	124.4	0	0	110.5	R560 Q563 N564 F595	R560-E567 IonicContact CZ-OE1 2.71Å; R560-E567 VanDerWaalsContact CZ-OE1 3.23Å; R560-E567 IonicContact CZ-OE2 3.85Å; R560-E567 VanDerWaalsContact NH1-CD 3.26Å; R560-E567 IonicContact NH1-OE1 3.42Å; R560-E567 PolarHBondContact NH1-OE1 2.66Å; R560-E567 IonicContact NH1-OE2 2.9Å; R560-E567 PolarHBondContact NH1-OE2 3.13Å; R560-E567 VanDerWaalsContact NH2-CD 3.28Å; R560-E567 IonicContact NH2-OE1 2.68Å; R560-E567 PolarHBondContact NH2-OE1 2.86Å; R560-E567 IonicContact NH2-OE2 3.82Å; R560-E567 PolarHBondContact NH2-OE2 2.94Å; Q563-E567 VanDerWaalsContact CB-OE2 3.31Å; Q563-E567 WeakPolarHBondContact CB-OE2 3.29Å; Q563-E567 PolarHBondContact N-OE2 3.4Å; N564-E567 PolarHBondContact O-N 3.2Å; E567-F595 WeakPolarHBondContact CA-O 3.49Å; E567-F595 HydrophobicContact CG-CD1 4.1Å
568	L	74.3	Confident	79.4	Confident	28 Å²	28	75.5 Å²	75.5	15%	0.147	39%	0.393	C	S	.	.			trans	-81.5	141.2	170.8	-77.1	165.3	0	0	0	110.7	V570 V587 N592 F595 V596	L568-V570 HydrophobicContact CB-CG1 4.26Å; L568-V587 HydrophobicContact CD1-CB 3.8Å; L568-V587 HydrophobicContact CD1-CG1 3.59Å; L568-V587 WeakPolarHBondContact CD1-O 3.12Å; L568-N592 HydrophobicContact CD2-CB 4.12Å; L568-F595 PolarHBondContact N-O 3.3Å; L568-F595 VanDerWaalsContact N-O 3.09Å; L568-V596 HydrophobicContact CB-CG2 3.91Å; L568-V596 HydrophobicContact CD1-CG2 4.29Å
569	S	81.5	Confident	78.4	Confident	84 Å²	84	71.6 Å²	71.6	59%	0.587	39%	0.387	S	S	*	.			trans	-79.9	124.7	162.5	-63.5	0	0	0	0	108.5	R560 G562	R560-S569 WeakPolarHBondContact O-CA 3.26Å; G562-S569 PolarHBondContact N-OG 3.42Å
570	V	84.4	Confident	76.7	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.042	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-128.3	138.1	-176.2	-66.7	0	0	0	0	111.3	V556 E559 R560 L568 E574 L576 V596 I600	V556-V570 HydrophobicContact CG1-CB 4.1Å; V556-V570 HydrophobicContact CG1-CG2 3.87Å; V556-V570 HydrophobicContact CG2-CB 3.97Å; V556-V570 HydrophobicContact CG2-CG1 4.4Å; V556-V570 HydrophobicContact CG2-CG2 4.37Å; E559-V570 CarbonylContact C-O 3.59Å; E559-V570 VanDerWaalsContact CA-O 3.27Å; E559-V570 WeakPolarHBondContact CA-O 3.27Å; E559-V570 WeakPolarHBondContact CG-O 3.41Å; R560-V570 HydrophobicContact CB-CG2 4.41Å; R560-V570 PolarHBondContact N-O 3.2Å; R560-V570 PolarHBondContact O-N 2.96Å; L568-V570 HydrophobicContact CB-CG1 4.26Å; V570-E574 WeakPolarHBondContact CA-OE2 3.23Å; V570-L576 HydrophobicContact CG1-CD1 4.27Å; V570-V596 HydrophobicContact CG1-CG1 4.3Å; V570-V596 HydrophobicContact CG1-CG2 3.79Å; V570-V596 HydrophobicContact CG2-CG1 4.12Å; V570-I600 HydrophobicContact CG2-CD1 3.83Å
571	R	82.4	Confident	74.7	Confident	122 Å²	122	72.1 Å²	72.1	46%	0.46	40%	0.4	S	S	.	.			trans	-96.5	151.4	175.1	-57.6	175.3	174	170.5	2.6	110.9	E535 V556 G573 E574	E535-R571 VanDerWaalsContact CD-NH1 3.29Å; E535-R571 IonicContact OE1-CZ 2.79Å; E535-R571 IonicContact OE1-NH1 2.69Å; E535-R571 PolarHBondContact OE1-NH1 3.48Å; E535-R571 IonicContact OE2-NH1 3Å; E535-R571 PolarHBondContact OE2-NH1 3.22Å; V556-R571 WeakPolarHBondContact CB-O 3.39Å; V556-R571 WeakPolarHBondContact CG1-O 3.46Å; R571-G573 PolarHBondContact O-N 2.76Å; R571-E574 HydrophobicContact CB-CG 4.01Å; R571-E574 WeakPolarHBondContact CB-OE1 3.41Å; R571-E574 PolarHBondContact N-OE2 3.03Å; R571-E574 WeakPolarHBondContact O-CG 3.42Å; R571-E574 PolarHBondContact O-N 3.31Å
572	K	83.3	Confident	72.3	Confident	148 Å²	148	73.1 Å²	73.1	64%	0.643	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	126	177.4	-179	175.5	-179.1	178	0	111.4	T557 E559	T557-K572 WeakPolarHBondContact O-CD 3.43Å; T557-K572 WeakPolarHBondContact O-CE 3.44Å; T557-K572 WeakPolarHBondContact O-CG 3.3Å; E559-K572 HydrophobicContact CB-CB 4.41Å
573	G	81.4	Confident	70.7	Confident	30 Å²	30	79.5 Å²	79.5	31%	0.309	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.7	-15.4	177.3	0	0	0	0	0	114.9	Q555 V556 R571	Q555-G573 PolarHBondContact NE2-O 2.93Å; V556-G573 PolarHBondContact O-N 3.44Å; R571-G573 PolarHBondContact O-N 2.76Å
574	E	85.2	Confident	69.2	Low	38 Å²	38	75.4 Å²	75.4	18%	0.178	42%	0.419	C	S	.	.			trans	-62.4	145.7	179.2	-62.9	177.9	154.7	0	0	112	Q555 V556 V570 R571 L576	Q555-E574 WeakPolarHBondContact CA-O 3.44Å; V556-E574 HydrophobicContact CB-CB 4.48Å; V556-E574 HydrophobicContact CG2-CB 4.03Å; V556-E574 PolarHBondContact N-O 3.45Å; V570-E574 WeakPolarHBondContact CA-OE2 3.23Å; R571-E574 HydrophobicContact CB-CG 4.01Å; R571-E574 WeakPolarHBondContact CB-OE1 3.41Å; R571-E574 PolarHBondContact N-OE2 3.03Å; R571-E574 WeakPolarHBondContact O-CG 3.42Å; R571-E574 PolarHBondContact O-N 3.31Å; E574-L576 HydrophobicContact CB-CD2 4.45Å
575	F	84.1	Confident	67.9	Low	23 Å²	23	71.8 Å²	71.8	10%	0.101	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.7	175.2	-68.4	-75.2	0	0	0	110.9	Q539 M540 F542 F543 A554 Q555 V604	Q539-F575 HydrophobicContact CB-CD2 4.49Å; M540-F575 HydrophobicContact SD-CE2 4.07Å; F542-F575 WeakPolarHBondContact CD1-O 3.48Å; F542-F575 VanDerWaalsContact CE1-O 3.3Å; F542-F575 WeakPolarHBondContact CE1-O 3.36Å; F543-F575 HydrophobicContact CB-CB 4.11Å; F543-F575 HydrophobicContact CB-CD1 4.25Å; F543-F575 HydrophobicContact CB-CD2 3.79Å; F543-F575 HydrophobicContact CB-CE2 4.21Å; F543-F575 HydrophobicContact CB-CG 3.8Å; F543-F575 HydrophobicContact CD2-CB 4.4Å; F543-F575 AromaticContact CD2-CD1 3.5Å; F543-F575 HydrophobicContact CD2-CD1 3.5Å; F543-F575 VanDerWaalsContact CD2-CD1 3.5Å; F543-F575 AromaticContact CD2-CE1 3.77Å; F543-F575 HydrophobicContact CD2-CE1 3.77Å; F543-F575 AromaticContact CD2-CG 3.91Å; F543-F575 HydrophobicContact CD2-CG 3.91Å; F543-F575 HydrophobicContact CD2-CZ 4.39Å; F543-F575 HydrophobicContact CE2-CD1 4.08Å; F543-F575 HydrophobicContact CE2-CE1 4.04Å; F543-F575 HydrophobicContact CG-CD1 4.01Å; F543-F575 HydrophobicContact CG-CD2 4.26Å; F543-F575 HydrophobicContact CG-CE1 4.11Å; F543-F575 HydrophobicContact CG-CE2 4.36Å; F543-F575 HydrophobicContact CG-CG 4.07Å; F543-F575 HydrophobicContact CG-CZ 4.28Å; A554-F575 WeakPolarHBondContact O-CA 3.26Å; Q555-F575 HydrophobicContact CB-CD1 4.06Å; Q555-F575 HydrophobicContact CB-CE1 3.97Å; Q555-F575 HydrophobicContact CG-CD1 4.22Å; Q555-F575 HydrophobicContact CG-CE1 3.98Å; Q555-F575 HydrophobicContact CG-CZ 4.48Å; F575-V604 HydrophobicContact CE1-CG2 4.49Å
576	L	81.6	Confident	66.8	Low	1 Å²	1	70.4 Å²	70.4	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.4	-166.9	-55.6	178.8	0	0	0	110.3	A553 A554 V556 V570 E574 V587 L601	A553-L576 WeakPolarHBondContact CA-O 3.17Å; A554-L576 PolarHBondContact N-O 3.08Å; A554-L576 PolarHBondContact O-N 3.25Å; V556-L576 HydrophobicContact CG2-CD1 3.32Å; V556-L576 HydrophobicContact CG2-CD2 4.46Å; V556-L576 HydrophobicContact CG2-CG 3.93Å; V570-L576 HydrophobicContact CG1-CD1 4.27Å; E574-L576 HydrophobicContact CB-CD2 4.45Å; L576-V587 HydrophobicContact CB-CG1 3.81Å; L576-V587 HydrophobicContact CB-CG2 4.04Å; L576-V587 HydrophobicContact CD1-CG1 3.8Å; L576-V587 HydrophobicContact CD1-CG2 3.98Å; L576-V587 HydrophobicContact CD2-CG1 3.57Å; L576-V587 HydrophobicContact CG-CG1 3.9Å; L576-L601 HydrophobicContact CD1-CD2 3.73Å
577	E	79.6	Confident	65.9	Low	52 Å²	52	62.7 Å²	62.7	24%	0.243	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.8	172.2	-169.1	162.6	-168.9	0	0	110.9	L546 A551 F586	L546-E577 HydrophobicContact CD1-CB 4.19Å; L546-E577 HydrophobicContact CD2-CB 3.73Å; L546-E577 HydrophobicContact CD2-CG 3.76Å; A551-E577 HydrophobicContact CB-CG 4.17Å; A551-E577 WeakPolarHBondContact CB-OE1 3.35Å; E577-F586 VanDerWaalsContact O-O 3.09Å
578	A	69.1	Low	64.9	Low	13 Å²	13	65.3 Å²	65.3	11%	0.107	35%	0.348	C	S	.	.			trans	-119.4	88.2	-174.2	0	0	0	0	0	111.7	K552 L585	K552-A578 HydrophobicContact CB-CB 3.89Å; K552-A578 WeakPolarHBondContact O-CB 3.48Å; K552-A578 PolarHBondContact O-N 2.84Å; A578-L585 HydrophobicContact CB-CD2 3.48Å; A578-L585 VanDerWaalsContact CB-CD2 3.48Å
579	S	63.4	Low	63.6	Low	66 Å²	66	65.4 Å²	65.4	46%	0.462	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.3	174.3	-171.2	0	0	0	0	111.2	A581	S579-A581 PolarHBondContact O-N 3.17Å
580	Q	50.7	Low	62.3	Low	157 Å²	157	69.5 Å²	69.5	73%	0.734	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	76.3	-166.4	-164	175.3	-4.7	0	0	113.1
581	A	41.1	Very low	61	Low	48 Å²	48	72.5 Å²	72.5	40%	0.397	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.2	170.5	0	0	0	0	0	112.7	S579 N583 I584	S579-A581 PolarHBondContact O-N 3.17Å; A581-N583 PolarHBondContact O-N 2.91Å; A581-I584 PolarHBondContact O-N 3.24Å
582	C	33.4	Very low	59.9	Low	116 Å²	116	71.8 Å²	71.8	78%	0.784	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	52.4	157.5	-55.8	0	0	0	0	118	I584	C582-I584 WeakPolarHBondContact O-CG1 3.03Å; C582-I584 PolarHBondContact O-N 2.94Å
583	N	46	Very low	59.1	Low	161 Å²	161	70.1 Å²	70.1	86%	0.861	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	12.2	172.7	-66.8	-11.8	0	0	0	116.2	A581	A581-N583 PolarHBondContact O-N 2.91Å
584	I	42.5	Very low	58.6	Low	69 Å²	69	69 Å²	69	35%	0.354	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.3	-176	-69	165.6	0	0	0	107.6	A581 C582 F586 F595	A581-I584 PolarHBondContact O-N 3.24Å; C582-I584 WeakPolarHBondContact O-CG1 3.03Å; C582-I584 PolarHBondContact O-N 2.94Å; I584-F586 HydrophobicContact CB-CE2 4.31Å; I584-F586 HydrophobicContact CG2-CD2 3.98Å; I584-F586 HydrophobicContact CG2-CE2 3.73Å; I584-F586 HydrophobicContact CG2-CZ 4.25Å; I584-F586 PolarHBondContact O-N 3.37Å; I584-F595 HydrophobicContact CG1-CE2 4.28Å; I584-F595 HydrophobicContact CG2-CD2 3.71Å; I584-F595 HydrophobicContact CG2-CE2 4.07Å
585	L	45.5	Very low	58	Low	33 Å²	33	70.9 Å²	70.9	17%	0.173	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	100.2	174.8	-75	162.7	0	0	0	108.5	A578 H598 L601	A578-L585 HydrophobicContact CB-CD2 3.48Å; A578-L585 VanDerWaalsContact CB-CD2 3.48Å; L585-H598 HydrophobicContact CD1-CB 4.12Å; L585-L601 HydrophobicContact CB-CD1 4Å; L585-L601 HydrophobicContact CD1-CB 4.42Å; L585-L601 HydrophobicContact CD1-CD1 3.53Å; L585-L601 HydrophobicContact CG-CD1 4.38Å
586	F	47.8	Very low	57.5	Low	80 Å²	80	69.9 Å²	69.9	35%	0.351	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.2	159.8	-69.2	-93.9	0	0	0	108.2	E577 I584 E593	E577-F586 VanDerWaalsContact O-O 3.09Å; I584-F586 HydrophobicContact CB-CE2 4.31Å; I584-F586 HydrophobicContact CG2-CD2 3.98Å; I584-F586 HydrophobicContact CG2-CE2 3.73Å; I584-F586 HydrophobicContact CG2-CZ 4.25Å; I584-F586 PolarHBondContact O-N 3.37Å; F586-E593 HydrophobicContact CD1-CG 4.17Å; F586-E593 WeakPolarHBondContact CD1-OE1 3.48Å
587	V	53	Low	57.1	Low	1 Å²	1	70.8 Å²	70.8	1%	0.006	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.6	-169.3	159.2	0	0	0	0	109.3	L568 L576 G594 V596	L568-V587 HydrophobicContact CD1-CB 3.8Å; L568-V587 HydrophobicContact CD1-CG1 3.59Å; L568-V587 WeakPolarHBondContact CD1-O 3.12Å; L576-V587 HydrophobicContact CB-CG1 3.81Å; L576-V587 HydrophobicContact CB-CG2 4.04Å; L576-V587 HydrophobicContact CD1-CG1 3.8Å; L576-V587 HydrophobicContact CD1-CG2 3.98Å; L576-V587 HydrophobicContact CD2-CG1 3.57Å; L576-V587 HydrophobicContact CG-CG1 3.9Å; V587-G594 PolarHBondContact N-O 3.09Å; V587-V596 HydrophobicContact CB-CG2 4.03Å; V587-V596 HydrophobicContact CG1-CG2 4.25Å; V587-V596 HydrophobicContact CG2-CB 4.11Å; V587-V596 HydrophobicContact CG2-CG2 3.85Å
588	Y	52.3	Low	56.9	Low	95 Å²	95	73.8 Å²	73.8	37%	0.373	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.9	168	-69.9	-63.9	0	0	0	111	E593	Y588-E593 HydrophobicContact CD1-CB 4.3Å; Y588-E593 HydrophobicContact CE1-CB 3.79Å; Y588-E593 HydrophobicContact CE1-CG 3.9Å; Y588-E593 WeakPolarHBondContact CE1-OE2 3.43Å; Y588-E593 PolarHBondContact OH-OE2 3.18Å
589	A	47.9	Very low	57.3	Low	29 Å²	29	77.1 Å²	77.1	24%	0.24	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.7	166.3	0	0	0	0	0	108.9	G591 N592	A589-G591 PolarHBondContact O-N 2.87Å; A589-N592 PolarHBondContact N-O 3.03Å; A589-N592 PolarHBondContact O-N 2.95Å
590	F	52.7	Low	58.1	Low	170 Å²	170	75 Å²	75	75%	0.746	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	35	179.9	-62.9	-83	0	0	0	115.4
591	G	58.3	Low	59.5	Low	71 Å²	71	68.6 Å²	68.6	73%	0.732	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-0.3	177.4	0	0	0	0	0	115.9	A589	A589-G591 PolarHBondContact O-N 2.87Å
592	N	59.2	Low	61.4	Low	107 Å²	107	69.8 Å²	69.8	57%	0.572	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.8	171	-68.1	-43.6	0	0	0	111	L568 A589	L568-N592 HydrophobicContact CD2-CB 4.12Å; A589-N592 PolarHBondContact N-O 3.03Å; A589-N592 PolarHBondContact O-N 2.95Å
593	E	67.3	Low	63.6	Low	112 Å²	112	68.3 Å²	68.3	52%	0.523	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139	175.4	-170.6	-178.5	129.6	0	0	110	F586 Y588	F586-E593 HydrophobicContact CD1-CG 4.17Å; F586-E593 WeakPolarHBondContact CD1-OE1 3.48Å; Y588-E593 HydrophobicContact CD1-CB 4.3Å; Y588-E593 HydrophobicContact CE1-CB 3.79Å; Y588-E593 HydrophobicContact CE1-CG 3.9Å; Y588-E593 WeakPolarHBondContact CE1-OE2 3.43Å; Y588-E593 PolarHBondContact OH-OE2 3.18Å
594	G	70.2	Confident	64.9	Low	8 Å²	8	62.4 Å²	62.4	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-179	172.6	0	0	0	0	0	114.7	V587	V587-G594 PolarHBondContact N-O 3.09Å
595	F	71.5	Confident	65.9	Low	76 Å²	76	65 Å²	65	33%	0.333	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.4	-176.6	178.4	-99.2	0	0	0	112.3	K566 E567 L568 I584 P597	K566-F595 VanDerWaalsContact O-CB 3.24Å; K566-F595 WeakPolarHBondContact O-CB 3.49Å; K566-F595 PolarHBondContact O-N 2.7Å; E567-F595 WeakPolarHBondContact CA-O 3.49Å; E567-F595 HydrophobicContact CG-CD1 4.1Å; L568-F595 PolarHBondContact N-O 3.3Å; L568-F595 VanDerWaalsContact N-O 3.09Å; I584-F595 HydrophobicContact CG1-CE2 4.28Å; I584-F595 HydrophobicContact CG2-CD2 3.71Å; I584-F595 HydrophobicContact CG2-CE2 4.07Å; F595-P597 HydrophobicContact CE1-CB 4.44Å; F595-P597 HydrophobicContact CE1-CG 3.82Å; F595-P597 HydrophobicContact CZ-CG 4.43Å
596	V	74.3	Confident	65.8	Low	2 Å²	2	65 Å²	65	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.3	165.9	-173.5	0	0	0	0	109.3	L568 V570 V587 H598 I600 L601	L568-V596 HydrophobicContact CB-CG2 3.91Å; L568-V596 HydrophobicContact CD1-CG2 4.29Å; V570-V596 HydrophobicContact CG1-CG1 4.3Å; V570-V596 HydrophobicContact CG1-CG2 3.79Å; V570-V596 HydrophobicContact CG2-CG1 4.12Å; V587-V596 HydrophobicContact CB-CG2 4.03Å; V587-V596 HydrophobicContact CG1-CG2 4.25Å; V587-V596 HydrophobicContact CG2-CB 4.11Å; V587-V596 HydrophobicContact CG2-CG2 3.85Å; V596-H598 PolarHBondContact O-N 2.94Å; V596-I600 HydrophobicContact CG1-CD1 3.96Å; V596-I600 HydrophobicContact CG1-CG1 4.06Å; V596-L601 HydrophobicContact CB-CD1 4.1Å; V596-L601 HydrophobicContact CG1-CD1 3.87Å; V596-L601 HydrophobicContact CG1-CD2 3.93Å; V596-L601 HydrophobicContact CG1-CG 4Å
597	P	74.5	Confident	65.4	Low	21 Å²	21	66.7 Å²	66.7	14%	0.136	38%	0.377	C	S	.	.			trans	-64.5	130.2	-179.5	-18.8	28.6	0	0	0	112.6	F595 T599 I600	F595-P597 HydrophobicContact CE1-CB 4.44Å; F595-P597 HydrophobicContact CE1-CG 3.82Å; F595-P597 HydrophobicContact CZ-CG 4.43Å; P597-T599 PolarHBondContact O-N 2.86Å; P597-I600 VanDerWaalsContact O-CG1 3.26Å; P597-I600 WeakPolarHBondContact O-CG1 3.2Å; P597-I600 PolarHBondContact O-N 2.77Å
598	H	74.6	Confident	64.6	Low	115 Å²	115	71.7 Å²	71.7	53%	0.532	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-54.5	-28	175	67.5	-106	0	0	0	113.2	L585 V596 I600 L601	L585-H598 HydrophobicContact CD1-CB 4.12Å; V596-H598 PolarHBondContact O-N 2.94Å; H598-I600 PolarHBondContact O-N 3.25Å; H598-I600 VanDerWaalsContact O-N 3.11Å; H598-L601 PolarHBondContact O-N 3.49Å
599	T	76.6	Confident	63.5	Low	83 Å²	83	75.3 Å²	75.3	51%	0.509	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-66	-7.3	177.9	35.8	0	0	0	0	115.1	P597 K756	P597-T599 PolarHBondContact O-N 2.86Å; T599-K756 PolarHBondContact OG1-NZ 3.33Å
600	I	81.2	Confident	62.7	Low	22 Å²	22	82.9 Å²	82.9	11%	0.113	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-115.9	13.5	170.7	62.8	168.6	0	0	0	112.8	T557 Y558 R560 V570 V596 P597 H598	T557-I600 WeakPolarHBondContact CB-O 3.4Å; T557-I600 PolarHBondContact N-O 3.31Å; T557-I600 PolarHBondContact OG1-O 3Å; Y558-I600 HydrophobicContact CD2-CG2 4.25Å; R560-I600 HydrophobicContact CB-CD1 3.82Å; V570-I600 HydrophobicContact CG2-CD1 3.83Å; V596-I600 HydrophobicContact CG1-CD1 3.96Å; V596-I600 HydrophobicContact CG1-CG1 4.06Å; P597-I600 VanDerWaalsContact O-CG1 3.26Å; P597-I600 WeakPolarHBondContact O-CG1 3.2Å; P597-I600 PolarHBondContact O-N 2.77Å; H598-I600 PolarHBondContact O-N 3.25Å; H598-I600 VanDerWaalsContact O-N 3.11Å
601	L	79.4	Confident	61.5	Low	21 Å²	21	82.6 Å²	82.6	11%	0.11	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.7	-175.2	-64	-179.9	0	0	0	111.4	A554 Q555 V556 L576 L585 V596 H598	A554-L601 HydrophobicContact CB-CB 4.31Å; Q555-L601 WeakPolarHBondContact O-CA 3.27Å; V556-L601 HydrophobicContact CG2-CD2 3.98Å; L576-L601 HydrophobicContact CD1-CD2 3.73Å; L585-L601 HydrophobicContact CB-CD1 4Å; L585-L601 HydrophobicContact CD1-CB 4.42Å; L585-L601 HydrophobicContact CD1-CD1 3.53Å; L585-L601 HydrophobicContact CG-CD1 4.38Å; V596-L601 HydrophobicContact CB-CD1 4.1Å; V596-L601 HydrophobicContact CG1-CD1 3.87Å; V596-L601 HydrophobicContact CG1-CD2 3.93Å; V596-L601 HydrophobicContact CG1-CG 4Å; H598-L601 PolarHBondContact O-N 3.49Å
602	T	82	Confident	60.2	Low	73 Å²	73	87 Å²	87	45%	0.448	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.8	171.4	-62	0	0	0	0	108.6	A554 Q555 T557	A554-T602 CarbonylContact C-O 3.6Å; A554-T602 WeakPolarHBondContact CA-O 3.41Å; Q555-T602 PolarHBondContact N-O 2.78Å; Q555-T602 PolarHBondContact O-N 2.95Å; T557-T602 PolarHBondContact OG1-OG1 2.78Å
603	V	78.3	Confident	58.7	Low	85 Å²	85	90.3 Å²	90.3	52%	0.515	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.6	176.7	-179.3	0	0	0	0	109.8
604	V	74.5	Confident	57	Low	37 Å²	37	94.4 Å²	94.4	22%	0.224	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	95.3	-178	-172.9	0	0	0	0	109.1	F543 A553 Q555 F575 G606	F543-V604 HydrophobicContact CE2-CB 4.12Å; F543-V604 HydrophobicContact CE2-CG1 3.73Å; F543-V604 HydrophobicContact CZ-CG1 3.65Å; A553-V604 PolarHBondContact O-N 2.97Å; Q555-V604 HydrophobicContact CB-CG2 4.03Å; F575-V604 HydrophobicContact CE1-CG2 4.49Å; V604-G606 PolarHBondContact O-N 3.1Å
605	D	62.6	Low	55	Low	124 Å²	124	102 Å²	102	66%	0.663	53%	0.527	S	S	*	.			trans	-65.4	124.5	-178.5	-75.9	-48.7	0	0	0	112	T607	D605-T607 PolarHBondContact O-N 2.8Å
606	G	44.7	Very low	53.2	Low	33 Å²	33	106.3 Å²	106.3	34%	0.34	55%	0.548	S	S	.	.			trans	-88.2	8	-167.1	0	0	0	0	0	116.3	V604 P608	V604-G606 PolarHBondContact O-N 3.1Å; G606-P608 WeakPolarHBondContact O-CD 3.39Å
607	T	39	Very low	51.1	Low	115 Å²	115	115.6 Å²	115.6	71%	0.706	58%	0.583	S	S	*	*			trans	-61.8	118.3	-169.6	53.9	0	0	0	0	112.7	D605 Q609	D605-T607 PolarHBondContact O-N 2.8Å; T607-Q609 PolarHBondContact O-N 2.94Å
608	P	35.3	Very low	49.3	Very low	106 Å²	106	120.5 Å²	120.5	69%	0.688	62%	0.618	S	S	*	*			trans	-76.4	119.3	176	30	-32.6	0	0	0	110.5	G606 Q610	G606-P608 WeakPolarHBondContact O-CD 3.39Å; P608-Q610 PolarHBondContact O-N 3.44Å; P608-Q610 VanDerWaalsContact O-N 3.1Å
609	Q	30	Very low	47.3	Very low	172 Å²	172	125.2 Å²	125.2	80%	0.804	63%	0.631	S	S	*	*			trans	-68.5	106.3	167.3	-76.5	-171.5	-17.6	0	0	109.6	T607 Q611	T607-Q609 PolarHBondContact O-N 2.94Å; Q609-Q611 VanDerWaalsContact C-N 3.29Å; Q609-Q611 PolarHBondContact O-N 3.04Å
610	Q	30.6	Very low	45.2	Very low	187 Å²	187	125.8 Å²	125.8	87%	0.874	64%	0.638	S	S	*	*			trans	-72.2	79.5	175.1	-72.4	-173.3	-12.2	0	0	111.7	P608 Q612	P608-Q610 PolarHBondContact O-N 3.44Å; P608-Q610 VanDerWaalsContact O-N 3.1Å; Q610-Q612 VanDerWaalsContact C-N 3.27Å; Q610-Q612 PolarHBondContact O-N 3.2Å
611	Q	27.9	Very low	43	Very low	164 Å²	164	130.6 Å²	130.6	77%	0.766	67%	0.668	S	S	*	*			trans	-81.3	72.1	160.4	-71.2	-167.3	3.8	0	0	110.7	Q609	Q609-Q611 VanDerWaalsContact C-N 3.29Å; Q609-Q611 PolarHBondContact O-N 3.04Å
612	Q	30.5	Very low	41.1	Very low	165 Å²	165	136.1 Å²	136.1	77%	0.771	70%	0.698	S	S	*	*			trans	-159.8	116.6	160.6	-118.8	148.3	93.4	0	0	114.6	Q610	Q610-Q612 VanDerWaalsContact C-N 3.27Å; Q610-Q612 PolarHBondContact O-N 3.2Å
613	Q	28.3	Very low	38.7	Very low	175 Å²	175	140.9 Å²	140.9	82%	0.818	72%	0.715	S	S	*	*			trans	37.7	95.5	139.7	-56.6	179.2	12.2	0	0	118.6
614	Q	30.7	Very low	36.8	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	73%	0.726	S	S	*	*			trans	-126.6	90.2	137.3	-77.2	-165.1	0.2	0	0	110.7
615	Q	29.4	Very low	35.1	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	75%	0.754	S	S	*	*			trans	-71.6	122.4	151.7	-62.7	177.1	1.7	0	0	107
616	H	33.7	Very low	33.8	Very low	167 Å²	167	149.7 Å²	149.7	77%	0.773	76%	0.756	S	S	*	*			trans	164.9	90.5	133.2	-89.9	-70.1	0	0	0	113.4
617	R	29.9	Very low	33.4	Very low	197 Å²	197	154.5 Å²	154.5	74%	0.743	78%	0.778	S	S	*	*				55	101.5	123.2	-163.7	-170.6	-128.4	-177.9	4.4	118.1
618	S	35.5	Very low	33.3	Very low	125 Å²	125	158.5 Å²	158.5	87%	0.874	78%	0.781	S	S	*	*			trans	-137.3	153	137	-80.8	0	0	0	0	109.8
619	R	32.7	Very low	33.4	Very low	214 Å²	214	158.2 Å²	158.2	81%	0.808	79%	0.787	S	S	*	*			trans	-100.9	174.5	-175.6	-54.6	168.2	158.3	153.6	-13.4	108.7
620	S	33.1	Very low	34	Very low	94 Å²	94	155.5 Å²	155.5	66%	0.657	78%	0.784	S	S	*	*			cis	-168	169.7	21.7	39.5	0	0	0	0	110.4
621	V	35.5	Very low	34.2	Very low	123 Å²	123	153.8 Å²	153.8	75%	0.745	79%	0.787	S	S	*	*			trans	60.3	132.9	160.7	-64.2	0	0	0	0	118.1
622	D	38.5	Very low	34.7	Very low	138 Å²	138	149 Å²	149	74%	0.738	78%	0.782	S	S	*	*			cis	-142.5	125.7	-8	-72.5	-44	0	0	0	107.2
623	E	32.8	Very low	34.9	Very low	172 Å²	172	148 Å²	148	80%	0.804	79%	0.788	S	S	*	*				76.2	108	81.4	-168.4	149.5	-145.9	0	0	116.1
624	P	37.4	Very low	35.3	Very low	114 Å²	114	144.9 Å²	144.9	74%	0.74	79%	0.785	S	S	*	*			trans	-107.2	163.9	177.9	40.1	-33.4	0	0	0	114.1
625	L	39	Very low	35.6	Very low	154 Å²	154	140.7 Å²	140.7	81%	0.806	77%	0.773	S	S	*	*			trans	-121.9	128.9	176.9	-65.6	177.1	0	0	0	114.7
626	F	35.2	Very low	36	Very low	164 Å²	164	142.6 Å²	142.6	72%	0.719	78%	0.779	S	S	*	*			trans	-1	155.8	152.2	-56	-91.5	0	0	0	120.2
627	V	37.4	Very low	36.1	Very low	133 Å²	133	137.6 Å²	137.6	81%	0.806	77%	0.773	S	S	*	*			cis	-147.2	112.8	36.2	175.3	0	0	0	0	109.1
628	R	35.9	Very low	36.9	Very low	200 Å²	200	133.9 Å²	133.9	76%	0.755	77%	0.774	S	S	*	*				55.6	95.5	82.8	-164.9	178.2	-169.9	165.2	4.4	116.7
629	A	37.7	Very low	37.1	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	77%	0.771	S	S	*	*			trans	-79.5	138.3	155.9	0	0	0	0	0	110.7
630	P	41.8	Very low	37.6	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	77%	0.771	S	S	*	*			trans	-103.2	139	-179.2	36.2	-31.4	0	0	0	113.8
631	T	35.4	Very low	37.8	Very low	151 Å²	151	127.1 Å²	127.1	93%	0.926	78%	0.778	S	S	*	*			trans	-121.4	124.3	160.6	47.6	0	0	0	0	108.8
632	G	37.7	Very low	38	Very low	65 Å²	65	126 Å²	126	67%	0.67	78%	0.775	S	S	*	*			trans	-179.8	101.9	-176.4	0	0	0	0	0	115.1
633	T	34.8	Very low	37.9	Very low	144 Å²	144	129.9 Å²	129.9	88%	0.883	78%	0.781	S	S	*	*			trans	37.1	113.4	140.9	58.1	0	0	0	0	120.3
634	S	36.4	Very low	38.4	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	78%	0.779	S	S	*	*				-179	122.1	114.9	-168.4	0	0	0	0	113.7
635	T	37.6	Very low	38.4	Very low	111 Å²	111	126.8 Å²	126.8	68%	0.681	78%	0.778	S	S	*	*			trans	29.2	110.7	135.5	-35.7	0	0	0	0	120.7
636	F	38.4	Very low	38.3	Very low	205 Å²	205	127.7 Å²	127.7	90%	0.899	78%	0.778	S	S	*	*				-176.7	147.1	108.8	-109.4	-81.4	0	0	0	111.2
637	G	34.7	Very low	38.3	Very low	62 Å²	62	124.1 Å²	124.1	64%	0.639	78%	0.779	S	S	*	*			trans	-108.7	-157.1	169.3	0	0	0	0	0	111.5
638	P	48.4	Very low	38.3	Very low	120 Å²	120	122 Å²	122	78%	0.779	78%	0.775	S	S	*	*			cis	-140.7	-170.2	8.4	43.5	-25.4	0	0	0	115.7
639	S	39.2	Very low	38.4	Very low	114 Å²	114	118.8 Å²	118.8	80%	0.797	78%	0.778	S	S	*	*			trans	71.5	150.4	153	-63.6	0	0	0	0	119.8
640	A	41.8	Very low	38.3	Very low	99 Å²	99	118.1 Å²	118.1	82%	0.818	77%	0.773	S	S	*	*			cis	-166	158.3	-19.6	0	0	0	0	0	111.1
641	G	39	Very low	38.1	Very low	77 Å²	77	120.8 Å²	120.8	79%	0.794	78%	0.775	S	S	*	*			trans	95.4	155.2	163.4	0	0	0	0	0	117.2
642	S	38.9	Very low	38.3	Very low	99 Å²	99	120.3 Å²	120.3	69%	0.692	77%	0.766	S	S	*	*				166.3	89.5	-54.1	170.7	0	0	0	0	111.9
643	Y	36.6	Very low	38.3	Very low	220 Å²	220	124 Å²	124	86%	0.863	77%	0.771	S	S	*	*			trans	60.5	178.3	160.4	-55.2	-64.8	0	0	0	118
644	P	42.8	Very low	38.4	Very low	117 Å²	117	121 Å²	121	76%	0.76	76%	0.755	S	S	*	*			cis	-128.8	164.4	-28.4	21.2	1.2	0	0	0	115.5
645	S	37	Very low	38.5	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	76%	0.756	S	S	*	*			trans	40.7	152	139.2	-143.3	0	0	0	0	125.6
646	H	38.5	Very low	38.4	Very low	173 Å²	173	120.9 Å²	120.9	80%	0.801	75%	0.753	S	S	*	*			trans	74.7	108	159.3	-84	-72	0	0	0	122.3
647	A	35.2	Very low	38.3	Very low	89 Å²	89	120.5 Å²	120.5	74%	0.736	75%	0.751	S	S	*	*				81.5	131.8	123.6	0	0	0	0	0	122.7
648	A	36.5	Very low	38.7	Very low	88 Å²	88	121.2 Å²	121.2	73%	0.727	75%	0.751	S	S	*	*			trans	82	137.6	147.5	0	0	0	0	0	121.5
649	T	37	Very low	38.2	Very low	133 Å²	133	122.4 Å²	122.4	82%	0.816	75%	0.751	S	S	*	*			trans	61.9	111.7	150.2	39.4	0	0	0	0	122
650	A	36.8	Very low	38	Very low	86 Å²	86	124.3 Å²	124.3	71%	0.711	75%	0.752	S	S	*	*				79.3	121.9	119.8	0	0	0	0	0	122
651	E	36.5	Very low	38	Very low	171 Å²	171	124.6 Å²	124.6	80%	0.799	75%	0.748	S	S	*	*			trans	71.2	121.8	136.9	-65.7	-164.9	149.4	0	0	123.6
652	L	40.7	Very low	38.3	Very low	140 Å²	140	126 Å²	126	73%	0.733	74%	0.743	S	S	*	*				71	99.2	127.8	-65	171.2	0	0	0	122.4
653	D	36.8	Very low	38.2	Very low	143 Å²	143	132.9 Å²	132.9	77%	0.765	75%	0.754	S	S	*	*				101.7	144	105.8	-142.5	-1.8	0	0	0	122.2
654	S	38.6	Very low	38.2	Very low	80 Å²	80	128.4 Å²	128.4	56%	0.559	75%	0.749	S	S	*	*			trans	53	103.4	152.7	51.5	0	0	0	0	124.5
655	T	37.4	Very low	38.1	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	74%	0.742	S	S	*	*				63.1	136.4	125.4	67.2	0	0	0	0	122.8
656	C	36.1	Very low	38.1	Very low	91 Å²	91	131.1 Å²	131.1	62%	0.615	75%	0.746	S	S	*	*				170.6	135.9	105.9	-97.7	0	0	0	0	115.8
657	K	36.5	Very low	38	Very low	197 Å²	197	128 Å²	128	86%	0.857	74%	0.743	S	S	*	*			trans	68	155.7	137.3	-69.5	169	-172.7	166.5	0	118.8
658	A	41.3	Very low	38.5	Very low	76 Å²	76	129.8 Å²	129.8	63%	0.628	75%	0.748	S	S	*	*			cis	-166.6	175.2	-13.3	0	0	0	0	0	112.3
659	N	38.9	Very low	38.3	Very low	146 Å²	146	129 Å²	129	78%	0.781	75%	0.748	S	S	*	*			trans	74.8	150.3	159.4	-61.1	-13.8	0	0	0	117.6
660	N	35.9	Very low	38.4	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	75%	0.753	S	S	*	*			cis	-145.2	176.5	6.8	-131.7	-14.2	0	0	0	113.7
661	S	41.6	Very low	38.4	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	75%	0.753	S	S	*	*			trans	-125.6	-151.4	-171.3	-139.7	0	0	0	0	112
662	P	44.3	Very low	38.5	Very low	107 Å²	107	127.7 Å²	127.7	70%	0.695	75%	0.753	S	S	*	*				-124	179.8	-65.5	35.7	-21.2	0	0	0	113.6
663	R	37.6	Very low	38.2	Very low	243 Å²	243	126.3 Å²	126.3	92%	0.917	76%	0.755	S	S	*	*			trans	179	150.8	134.1	-102.1	163.9	-172.2	-108.1	1.8	116.4
664	T	37.2	Very low	38.4	Very low	126 Å²	126	126.2 Å²	126.2	77%	0.773	76%	0.76	S	S	*	*			trans	-121.1	172.5	159.1	61.9	0	0	0	0	108
665	P	40.5	Very low	38.1	Very low	94 Å²	94	130.3 Å²	130.3	61%	0.61	78%	0.776	S	S	*	*				-164.4	-175.7	76.2	45.4	-23.2	0	0	0	118.9
666	F	37	Very low	38.1	Very low	185 Å²	185	127.9 Å²	127.9	81%	0.811	78%	0.776	S	S	*	*			trans	55.6	136.2	156.8	-54.2	-49.9	0	0	0	120.9
667	S	34.5	Very low	38.3	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	79%	0.785	S	S	*	*			cis	90.5	154.4	38.6	-59	0	0	0	0	114.8
668	P	45.8	Very low	38.6	Very low	127 Å²	127	128.1 Å²	128.1	83%	0.825	79%	0.786	S	S	*	*			cis	-144.7	174.6	-37.1	41.3	-24.1	0	0	0	116.6
669	G	34	Very low	38.8	Very low	71 Å²	71	130 Å²	130	73%	0.732	79%	0.791	S	S	*	*			trans	111.9	169.1	139.9	0	0	0	0	0	122.7
670	I	38.7	Very low	38.9	Very low	180 Å²	180	130.1 Å²	130.1	92%	0.923	79%	0.792	S	S	*	*			trans	78.5	147.3	170	-49.9	176.1	0	0	0	117
671	A	36.4	Very low	39.1	Very low	86 Å²	86	127.6 Å²	127.6	71%	0.711	79%	0.792	S	S	*	*				-174.7	168.5	-50.9	0	0	0	0	0	111.2
672	A	38	Very low	39.1	Very low	97 Å²	97	128.2 Å²	128.2	80%	0.802	79%	0.792	S	S	*	*			trans	66.9	138.8	176.6	0	0	0	0	0	116.9
673	S	35.4	Very low	39	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	80%	0.803	S	S	*	*			cis	94.1	107.2	12.1	-165.1	0	0	0	0	117.6
674	T	39.6	Very low	39.3	Very low	142 Å²	142	131.8 Å²	131.8	87%	0.871	80%	0.799	S	S	*	*			trans	-161.3	150.8	145.3	25.2	0	0	0	0	110
675	N	33.3	Very low	39.4	Very low	166 Å²	166	138 Å²	138	89%	0.888	81%	0.808	S	S	*	*			trans	-95.8	167.8	175.2	-60.8	-29.1	0	0	0	111.6
676	G	37.4	Very low	39.2	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	83%	0.825	S	S	*	*			trans	-170.7	112.6	167.9	0	0	0	0	0	113.7
677	D	39.8	Very low	39.3	Very low	152 Å²	152	140.5 Å²	140.5	81%	0.813	82%	0.824	S	S	*	*			trans	-83.7	152.9	177.8	-54	-88.6	0	0	0	113.2
678	T	43.7	Very low	39.4	Very low	142 Å²	142	143.5 Å²	143.5	87%	0.871	82%	0.823	S	S	*	*				177.4	142.5	129.4	21.8	0	0	0	0	113.6
679	P	45.7	Very low	38.9	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	82%	0.822	S	S	*	*			trans	-114.8	-165.6	168	42	-32.9	0	0	0	113.6
680	D	39.4	Very low	39.1	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	82%	0.82	S	S	*	*			trans	80.7	116.4	167.7	-88.9	-41.8	0	0	0	121.3
681	A	41.1	Very low	39	Very low	101 Å²	101	145 Å²	145	84%	0.835	81%	0.812	S	S	*	*			trans	-164.1	61.7	156.2	0	0	0	0	0	114.4
682	V	41.2	Very low	39.1	Very low	117 Å²	117	145.5 Å²	145.5	71%	0.709	81%	0.811	S	S	*	*			trans	12.8	122.2	142.1	180	0	0	0	0	119.6
683	R	41.7	Very low	39.2	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	81%	0.809	S	S	*	*				-157.4	141.5	117.6	-135.1	171.6	-174.9	169.6	3.2	114.8
684	Q	44.7	Very low	39.4	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	81%	0.811	S	S	*	*			trans	-103.3	155	-175.5	-58.4	166.7	-12	0	0	112.7
685	R	40.1	Very low	39.4	Very low	257 Å²	257	144.9 Å²	144.9	97%	0.97	81%	0.806	S	S	*	*			trans	-160.8	142	133	-105.8	166.2	-167.6	-150.4	0.5	110
686	R	36.1	Very low	39.9	Very low	256 Å²	256	142 Å²	142	97%	0.966	80%	0.796	S	S	*	*			trans	-153.3	146.7	-170.2	-172	-174.6	-173.6	-145	4	111
687	G	37.9	Very low	39.9	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	80%	0.797	S	S	*	*			trans	101.7	151.9	171.8	0	0	0	0	0	113.9
688	K	36.9	Very low	40.3	Very low	169 Å²	169	143.2 Å²	143.2	74%	0.735	79%	0.791	S	S	*	*			cis	-148.9	157.6	-1.2	-163.3	-161.5	173.6	-144.3	0	109.6	E690	K688-E690 IonicContact NZ-OE1 3.25Å; K688-E690 PolarHBondContact NZ-OE1 3.19Å; K688-E690 IonicContact NZ-OE2 3.32Å; K688-E690 PolarHBondContact NZ-OE2 3.19Å
689	L	36.6	Very low	40.1	Very low	151 Å²	151	147.3 Å²	147.3	79%	0.791	79%	0.792	S	S	*	*			trans	-75.7	158.6	170.2	-62.5	77.3	0	0	0	111.3
690	E	37.1	Very low	39.7	Very low	149 Å²	149	146 Å²	146	70%	0.696	79%	0.791	S	S	*	*				-176.5	155.1	112.3	-95.6	148	178.3	0	0	114.3	K688	K688-E690 IonicContact NZ-OE1 3.25Å; K688-E690 PolarHBondContact NZ-OE1 3.19Å; K688-E690 IonicContact NZ-OE2 3.32Å; K688-E690 PolarHBondContact NZ-OE2 3.19Å
691	S	37.6	Very low	39.6	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	79%	0.79	S	S	*	*			trans	-28.4	165	167.2	37.9	0	0	0	0	120.5
692	S	38.2	Very low	39.5	Very low	97 Å²	97	145.2 Å²	145.2	68%	0.678	79%	0.786	S	S	*	*			cis	-176.2	169.4	-3.8	47.3	0	0	0	0	111.9
693	S	38.6	Very low	39.1	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	79%	0.79	S	S	*	*			trans	63.3	151.5	160.6	38.7	0	0	0	0	118.6
694	S	40	Very low	38.8	Very low	117 Å²	117	138.5 Å²	138.5	82%	0.818	78%	0.781	S	S	*	*			cis	-162.6	158.9	-7.4	44.3	0	0	0	0	112.6
695	S	39.8	Very low	38.5	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	78%	0.777	S	S	*	*			trans	-43.4	173.3	169.5	-72.1	0	0	0	0	118.8
696	P	44.6	Very low	38.5	Very low	105 Å²	105	130.5 Å²	130.5	68%	0.682	77%	0.766	S	S	*	*			cis	-143.1	175.3	-40.1	41.5	-24.3	0	0	0	114.9
697	D	36.9	Very low	38.7	Very low	150 Å²	150	128.2 Å²	128.2	80%	0.802	76%	0.757	S	S	*	*			trans	33.6	160.5	138.3	-66	-5.1	0	0	0	124.5
698	P	48.8	Very low	38.9	Very low	104 Å²	104	136.4 Å²	136.4	68%	0.675	77%	0.765	S	S	*	*			cis	-141.1	-163.2	-28.1	33.5	-10.1	0	0	0	114.9
699	Y	38.4	Very low	39.1	Very low	228 Å²	228	138.1 Å²	138.1	89%	0.894	77%	0.767	S	S	*	*			trans	94.3	146.8	160.8	-85.8	-75.4	0	0	0	123.3
700	A	37.3	Very low	39.3	Very low	87 Å²	87	137.3 Å²	137.3	72%	0.719	76%	0.762	S	S	*	*			trans	79.9	78.6	151.5	0	0	0	0	0	122.6
701	S	38.4	Very low	39.5	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	77%	0.769	S	S	*	*				61.5	149.3	115.2	-163.9	0	0	0	0	124
702	T	37.8	Very low	39.6	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	77%	0.77	S	S	*	*			trans	96.3	95.2	146.9	-11.4	0	0	0	0	120.9
703	C	33.1	Very low	39.5	Very low	116 Å²	116	139 Å²	139	78%	0.784	78%	0.781	S	S	*	*			trans	16	134.2	141.2	-55.7	0	0	0	0	122.6
704	S	35.5	Very low	39.8	Very low	108 Å²	108	140 Å²	140	76%	0.755	79%	0.788	S	S	*	*				154.7	178.2	102.9	64.5	0	0	0	0	114
705	T	39.4	Very low	39.9	Very low	120 Å²	120	138.9 Å²	138.9	74%	0.736	79%	0.786	S	S	*	*			trans	78.7	141.2	162.2	-54.1	0	0	0	0	117.6
706	I	40.2	Very low	40.1	Very low	146 Å²	146	139.1 Å²	139.1	75%	0.749	79%	0.785	S	S	*	*			cis	-162.3	154	-47.6	-110.7	157.2	0	0	0	110.7
707	R	39.7	Very low	40.5	Very low	207 Å²	207	140.7 Å²	140.7	78%	0.781	79%	0.787	S	S	*	*			trans	-20.1	154	170.7	-58.7	170.8	170	168	-3.5	120
708	R	42.4	Very low	41	Very low	248 Å²	248	139.4 Å²	139.4	94%	0.936	79%	0.786	S	S	*	*			trans	-140.5	156.1	132.2	-143	170.1	-71.5	-172.1	0.4	112.1
709	R	41.1	Very low	41	Very low	206 Å²	206	140 Å²	140	78%	0.777	79%	0.792	S	S	*	*			trans	-103.8	-172.9	-177.8	-67.1	162.1	145.2	-177.8	-6.6	109.4
710	L	40.4	Very low	41.8	Very low	133 Å²	133	136.4 Å²	136.4	70%	0.696	79%	0.788	S	S	*	*			cis	-173.7	151.1	28.1	-167.2	71.9	0	0	0	112.8
711	V	41	Very low	43.2	Very low	140 Å²	140	137.4 Å²	137.4	85%	0.848	79%	0.787	S	S	*	*			trans	50.1	155.2	157.7	-69.2	0	0	0	0	123.7
712	G	39.3	Very low	44.4	Very low	74 Å²	74	138.1 Å²	138.1	76%	0.763	79%	0.789	S	S	*	*			trans	-178.9	-15.7	169.7	0	0	0	0	0	122.5
713	L	37.9	Very low	45.9	Very low	175 Å²	175	138.7 Å²	138.7	92%	0.916	79%	0.792	S	S	*	*			trans	27.6	106.9	173.2	-70.3	175.6	0	0	0	121.2
714	S	43.2	Very low	47.8	Very low	132 Å²	132	138 Å²	138	92%	0.923	79%	0.786	S	S	*	*			trans	-177.4	168.3	134.1	33.6	0	0	0	0	111.1
715	A	43.2	Very low	49.5	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	79%	0.786	S	S	*	*			trans	-139.5	173.1	-173.4	0	0	0	0	0	110.1
716	P	43.4	Very low	51.1	Low	115 Å²	115	138.7 Å²	138.7	75%	0.747	79%	0.79	S	S	*	*			cis	-131	-172	2.9	42.7	-26.1	0	0	0	114.2
717	I	52.9	Low	52.4	Low	138 Å²	138	136 Å²	136	71%	0.708	79%	0.79	S	S	*	*			trans	150.1	129.5	145.8	-80.9	159.2	0	0	0	108.3
718	P	48.7	Very low	53.7	Low	123 Å²	123	131.8 Å²	131.8	80%	0.799	79%	0.789	S	S	*	*			trans	-75.3	125.9	171.7	31	-32.3	0	0	0	110.3
719	C	47.9	Very low	54.8	Low	116 Å²	116	126 Å²	126	78%	0.784	78%	0.783	S	S	*	*			trans	-108.2	130.8	166.3	-65.8	0	0	0	0	108.5
720	D	56	Low	55.4	Low	152 Å²	152	123.9 Å²	123.9	81%	0.813	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.3	151.3	-179.8	-69.5	-58.6	0	0	0	112.7
721	P	66.2	Low	56.1	Low	109 Å²	109	122.7 Å²	122.7	71%	0.708	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.6	147.4	173.5	27.9	-34.9	0	0	0	111.1	V723	P721-V723 PolarHBondContact O-N 2.99Å
722	P	63.8	Low	56.6	Low	126 Å²	126	121.6 Å²	121.6	82%	0.818	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.4	135.7	-175.5	26.2	-34.7	0	0	0	112.1
723	V	69.4	Low	56.6	Low	134 Å²	134	127.7 Å²	127.7	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-61.5	131	179.6	-176.5	0	0	0	0	110.2	P721	P721-V723 PolarHBondContact O-N 2.99Å
724	P	72.3	Confident	56.5	Low	103 Å²	103	127.2 Å²	127.2	67%	0.669	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.7	149.9	175.7	27.6	-34.9	0	0	0	111.3
725	P	71.2	Confident	56	Low	115 Å²	115	128.1 Å²	128.1	75%	0.747	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-61.2	146.4	-179.4	26.3	-34.7	0	0	0	111.5
726	P	73.1	Confident	55.5	Low	127 Å²	127	128.5 Å²	128.5	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.8	141.2	-179.2	26.3	-34.6	0	0	0	111.1
727	A	66.7	Low	54.8	Low	90 Å²	90	131.1 Å²	131.1	74%	0.744	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60	144.8	176	0	0	0	0	0	111
728	P	66.9	Low	53.8	Low	117 Å²	117	129.6 Å²	129.6	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-60.4	147.9	175.2	26.8	-34.7	0	0	0	110.5	L730	P728-L730 PolarHBondContact O-N 2.87Å
729	P	67	Low	52.9	Low	126 Å²	126	129.7 Å²	129.7	82%	0.818	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-60.4	135.2	-178.5	25.4	-34.2	0	0	0	110.8
730	L	54.1	Low	52	Low	163 Å²	163	129.2 Å²	129.2	85%	0.853	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.7	137.3	173.5	-72.4	164.2	0	0	0	109.8	P728	P728-L730 PolarHBondContact O-N 2.87Å
731	P	54.6	Low	50.8	Low	107 Å²	107	126.7 Å²	126.7	70%	0.695	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-59.6	146.3	171.3	26.8	-33.9	0	0	0	109.7	K733	P731-K733 PolarHBondContact O-N 2.92Å
732	P	51.3	Low	49.6	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-60.1	138.9	-177.6	25.4	-34.2	0	0	0	110.5	L734	P732-L734 PolarHBondContact O-N 3.11Å; P732-L734 VanDerWaalsContact O-N 3.09Å
733	K	38.5	Very low	48.5	Very low	201 Å²	201	124.6 Å²	124.6	87%	0.874	76%	0.76	S	S	*	*			trans	-63.1	112.5	170	-72.7	-177.8	176	-177.8	0	108.5	P731	P731-K733 PolarHBondContact O-N 2.92Å
734	L	35.6	Very low	47.3	Very low	165 Å²	165	120 Å²	120	86%	0.864	73%	0.729	S	S	*	*			trans	-73.5	126.7	159.3	-70.2	168.2	0	0	0	107.5	P732 A736	P732-L734 PolarHBondContact O-N 3.11Å; P732-L734 VanDerWaalsContact O-N 3.09Å; L734-A736 PolarHBondContact O-N 3.38Å
735	D	32.7	Very low	45.8	Very low	151 Å²	151	121.3 Å²	121.3	81%	0.807	73%	0.73	S	S	*	*			trans	-67.6	118.2	178.8	-73.3	-56.5	0	0	0	110.3	Q737	D735-Q737 PolarHBondContact O-N 2.89Å
736	A	32.7	Very low	44.4	Very low	102 Å²	102	126.7 Å²	126.7	84%	0.843	74%	0.735	S	S	*	*			trans	-76.4	88.1	-173.7	0	0	0	0	0	111.8	L734	L734-A736 PolarHBondContact O-N 3.38Å
737	Q	30.2	Very low	43	Very low	171 Å²	171	123 Å²	123	80%	0.799	71%	0.706	S	S	*	*			trans	-126.1	131.8	162.4	-62.7	-171.7	2.4	0	0	108.5	D735	D735-Q737 PolarHBondContact O-N 2.89Å
738	S	30.6	Very low	41.9	Very low	106 Å²	106	121.7 Å²	121.7	74%	0.741	68%	0.682	S	S	*	*			trans	65.7	150.7	-161.7	82.9	0	0	0	0	113.4
739	E	29.6	Very low	40.7	Very low	124 Å²	124	122.2 Å²	122.2	58%	0.579	68%	0.678	S	S	*	*			cis	-153	158.8	-12.1	-125.3	165.3	-141.4	0	0	110.7	K448	K448-E739 WeakPolarHBondContact CE-OE1 3.07Å; K448-E739 VanDerWaalsContact CE-OE2 3.32Å; K448-E739 WeakPolarHBondContact CE-OE2 3.27Å; K448-E739 IonicContact NZ-OE1 2.67Å; K448-E739 PolarHBondContact NZ-OE1 2.7Å; K448-E739 IonicContact NZ-OE2 3.67Å; K448-E739 PolarHBondContact NZ-OE2 3.42Å
740	S	30.4	Very low	39.6	Very low	106 Å²	106	122 Å²	122	74%	0.741	67%	0.667	S	S	*	*			trans	30	92.7	165.1	56.9	0	0	0	0	119.7	P742	S740-P742 WeakPolarHBondContact O-CD 3.28Å
741	A	30.6	Very low	39.1	Very low	99 Å²	99	117 Å²	117	82%	0.818	64%	0.639	S	S	*	*			trans	-77.2	121	161.4	0	0	0	0	0	111.1	V743	A741-V743 PolarHBondContact O-N 3.02Å; A741-V743 VanDerWaalsContact O-N 3.16Å
742	P	40.1	Very low	38.3	Very low	87 Å²	87	114.8 Å²	114.8	57%	0.565	63%	0.63	S	S	*	*			trans	-83.1	96.8	-172.2	31.5	-34.9	0	0	0	113.5	S740 F744	S740-P742 WeakPolarHBondContact O-CD 3.28Å; P742-F744 VanDerWaalsContact C-N 3.28Å; P742-F744 WeakPolarHBondContact O-CD2 3.47Å; P742-F744 PolarHBondContact O-N 3.37Å
743	V	41.8	Very low	37.8	Very low	105 Å²	105	115.2 Å²	115.2	64%	0.636	62%	0.623	S	S	*	*	S	Bend	trans	58.4	-29.6	142.8	-172.7	0	0	0	0	121	A741 L745 R746	A741-V743 PolarHBondContact O-N 3.02Å; A741-V743 VanDerWaalsContact O-N 3.16Å; V743-L745 PolarHBondContact O-N 2.71Å; V743-R746 PolarHBondContact O-N 2.72Å
744	F	43	Very low	38.1	Very low	36 Å²	36	109.5 Å²	109.5	16%	0.158	60%	0.599	C	S	.	*	H	α-helix	trans	-51.3	-46.4	-167.2	-84.7	-80.7	0	0	0	115.3	V228 N232 P742 R746 K747	V228-F744 HydrophobicContact CG1-CE2 3.59Å; V228-F744 HydrophobicContact CG1-CZ 3.81Å; N232-F744 WeakPolarHBondContact ND2-CE2 3.37Å; N232-F744 WeakPolarHBondContact ND2-CZ 3.35Å; N232-F744 WeakPolarHBondContact OD1-CE1 3.45Å; P742-F744 VanDerWaalsContact C-N 3.28Å; P742-F744 WeakPolarHBondContact O-CD2 3.47Å; P742-F744 PolarHBondContact O-N 3.37Å; F744-R746 VanDerWaalsContact C-N 3.28Å; F744-R746 PolarHBondContact O-N 3.45Å; F744-K747 PolarHBondContact O-N 3.23Å
745	L	41.1	Very low	38.6	Very low	131 Å²	131	107.6 Å²	107.6	69%	0.686	59%	0.585	S	S	*	*	H	α-helix	trans	-65.1	-23	-172.2	-96.5	156.3	0	0	0	114.7	V743	V743-L745 PolarHBondContact O-N 2.71Å
746	R	41.3	Very low	38.8	Very low	228 Å²	228	107.5 Å²	107.5	86%	0.86	58%	0.577	S	S	*	*	H	α-helix	trans	-76.7	-27.9	-176.9	-108.4	-173	179.1	-163.9	0.7	114.1	V743 F744	V743-R746 PolarHBondContact O-N 2.72Å; F744-R746 VanDerWaalsContact C-N 3.28Å; F744-R746 PolarHBondContact O-N 3.45Å
747	K	45.4	Very low	39.1	Very low	50 Å²	50	105.9 Å²	105.9	22%	0.217	57%	0.571	C	S	.	*	H	α-helix	trans	-77.7	-31.7	176.8	-69.4	-176.8	175.7	-177.5	0	112.6	D236 F744 L749 M750 F751	D236-K747 WeakPolarHBondContact OD1-CE 3.4Å; D236-K747 IonicContact OD1-NZ 2.71Å; D236-K747 PolarHBondContact OD1-NZ 3.05Å; D236-K747 IonicContact OD2-NZ 3.21Å; D236-K747 PolarHBondContact OD2-NZ 2.81Å; F744-K747 PolarHBondContact O-N 3.23Å; K747-L749 PolarHBondContact O-N 3.03Å; K747-M750 PolarHBondContact O-N 3.01Å; K747-F751 PolarHBondContact O-N 3.3Å
748	Y	43	Very low	39.6	Very low	62 Å²	62	104.4 Å²	104.4	24%	0.243	57%	0.565	C	S	.	*	H	α-helix	trans	-54.7	-38.8	-178	-110.7	-101.1	0	0	0	113.5	P321 L326 F329 M750 F751 A752	P321-Y748 HydrophobicContact CB-CE1 4.05Å; P321-Y748 HydrophobicContact CB-CE2 4.22Å; P321-Y748 VanDerWaalsContact CB-OH 3.31Å; P321-Y748 WeakPolarHBondContact CB-OH 3.38Å; P321-Y748 HydrophobicContact CG-CD2 4.4Å; P321-Y748 HydrophobicContact CG-CE1 4.24Å; P321-Y748 HydrophobicContact CG-CE2 3.52Å; P321-Y748 VanDerWaalsContact CG-CZ 3.43Å; P321-Y748 VanDerWaalsContact CG-OH 3.3Å; P321-Y748 WeakPolarHBondContact CG-OH 3.36Å; L326-Y748 HydrophobicContact CD2-CE2 4.07Å; L326-Y748 WeakPolarHBondContact CD2-OH 3.36Å; F329-Y748 HydrophobicContact CD2-CE1 4.21Å; F329-Y748 AromaticContact CD2-CZ 3.93Å; F329-Y748 WeakPolarHBondContact CD2-OH 3.26Å; F329-Y748 AromaticContact CE2-CE1 3.72Å; F329-Y748 HydrophobicContact CE2-CE1 3.72Å; F329-Y748 AromaticContact CE2-CZ 3.89Å; F329-Y748 WeakPolarHBondContact CE2-OH 3.23Å; F329-Y748 HydrophobicContact CZ-CE1 4.23Å; Y748-M750 VanDerWaalsContact C-N 3.35Å; Y748-M750 PolarHBondContact O-N 3.32Å; Y748-F751 PolarHBondContact O-N 2.61Å; Y748-A752 PolarHBondContact O-N 3.49Å
749	L	41.5	Very low	40.5	Very low	128 Å²	128	101.2 Å²	101.2	67%	0.67	54%	0.54	S	S	*	.	H	α-helix	trans	-72.5	-25.1	-179.3	-142.6	74.1	0	0	0	113.5	K747 M753	K747-L749 PolarHBondContact O-N 3.03Å; L749-M753 WeakPolarHBondContact O-CE 3.32Å; L749-M753 WeakPolarHBondContact O-CG 3.26Å
750	M	43.9	Very low	41.6	Very low	121 Å²	121	98.3 Å²	98.3	60%	0.596	53%	0.528	S	S	*	.	H	α-helix	trans	-80.2	-42	170.9	-81.8	-176.8	166.2	0	0	111.7	K747 Y748 A752 M753	K747-M750 PolarHBondContact O-N 3.01Å; Y748-M750 VanDerWaalsContact C-N 3.35Å; Y748-M750 PolarHBondContact O-N 3.32Å; M750-A752 PolarHBondContact O-N 3.47Å; M750-M753 WeakPolarHBondContact O-CB 3.31Å; M750-M753 PolarHBondContact O-N 3.32Å
751	F	42.7	Very low	42.5	Very low	58 Å²	58	100.7 Å²	100.7	25%	0.254	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-30.7	175	-109.8	-95.8	0	0	0	112.6	E239 K747 Y748 M753 F754	E239-F751 HydrophobicContact CB-CE2 4.02Å; E239-F751 HydrophobicContact CB-CZ 4.29Å; E239-F751 HydrophobicContact CG-CE2 3.9Å; E239-F751 HydrophobicContact CG-CZ 4.42Å; K747-F751 PolarHBondContact O-N 3.3Å; Y748-F751 PolarHBondContact O-N 2.61Å; F751-M753 VanDerWaalsContact C-N 3.27Å; F751-M753 PolarHBondContact O-N 2.83Å; F751-F754 PolarHBondContact O-N 3.31Å
752	A	39.6	Very low	43.5	Very low	61 Å²	61	98.7 Å²	98.7	50%	0.504	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.5	170.9	0	0	0	0	0	113.8	Y748 M750	Y748-A752 PolarHBondContact O-N 3.49Å; M750-A752 PolarHBondContact O-N 3.47Å
753	M	40.5	Very low	44.1	Very low	128 Å²	128	94.8 Å²	94.8	63%	0.631	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-76.1	-30.6	178.7	-54.8	-173.6	-164.5	0	0	112.5	L749 M750 F751 H755 K756	L749-M753 WeakPolarHBondContact O-CE 3.32Å; L749-M753 WeakPolarHBondContact O-CG 3.26Å; M750-M753 WeakPolarHBondContact O-CB 3.31Å; M750-M753 PolarHBondContact O-N 3.32Å; F751-M753 VanDerWaalsContact C-N 3.27Å; F751-M753 PolarHBondContact O-N 2.83Å; M753-H755 PolarHBondContact O-N 3.49Å; M753-K756 PolarHBondContact O-N 2.96Å
754	F	44.6	Very low	44.7	Very low	81 Å²	81	92.2 Å²	92.2	36%	0.355	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-56.2	-19.2	174.2	-92.8	-94.9	0	0	0	113.5	V242 F751	V242-F754 HydrophobicContact CG1-CE1 4.44Å; F751-F754 PolarHBondContact O-N 3.31Å
755	H	45.9	Very low	45.3	Very low	125 Å²	125	95.1 Å²	95.1	58%	0.579	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-104.4	5.4	-170.2	-122.5	-77.4	0	0	0	115.6	M753	M753-H755 PolarHBondContact O-N 3.49Å
756	K	37.4	Very low	46	Very low	149 Å²	149	89.3 Å²	89.3	65%	0.648	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	-1	-169.7	-110.2	-178.1	179.9	175.9	0	117.9	T599 M753	T599-K756 PolarHBondContact OG1-NZ 3.33Å; M753-K756 PolarHBondContact O-N 2.96Å
757	G	37.8	Very low	46.6	Very low	68 Å²	68	78.9 Å²	78.9	70%	0.701	40%	0.402	S	S	*	.	S	Bend	trans	-110	-78	-172.1	0	0	0	0	0	115.4
758	M	40.4	Very low	47.2	Very low	139 Å²	139	84 Å²	84	69%	0.685	42%	0.424	S	S	*	.	S	Bend	trans	-151.1	-175.1	-167.9	-91	161.2	52.6	0	0	109.9	N760	M758-N760 PolarHBondContact O-N 3.33Å; M758-N760 VanDerWaalsContact O-N 3.1Å
759	L	50.6	Low	47.7	Very low	39 Å²	39	87 Å²	87	20%	0.204	44%	0.44	C	S	.	.	S	Bend	trans	72.4	-22.7	163.8	-59	-179.6	0	0	0	119.6	I250 L763	I250-L759 HydrophobicContact CD1-CD1 4Å; I250-L759 HydrophobicContact CD1-CD2 4.29Å; I250-L759 HydrophobicContact CG1-CD2 4.28Å; L759-L763 WeakPolarHBondContact O-CA 3.49Å; L759-L763 WeakPolarHBondContact O-CB 3.25Å; L759-L763 PolarHBondContact O-N 3.18Å
760	N	52.2	Low	48.1	Very low	64 Å²	64	81 Å²	81	34%	0.342	41%	0.409	S	S	.	.	H	α-helix	trans	-70.9	-61.5	-178.9	-152.2	-17.3	0	0	0	112.1	M758 E762 L763 H764	M758-N760 PolarHBondContact O-N 3.33Å; M758-N760 VanDerWaalsContact O-N 3.1Å; N760-E762 VanDerWaalsContact C-N 3.26Å; N760-E762 PolarHBondContact O-N 2.8Å; N760-L763 PolarHBondContact O-N 3.29Å; N760-H764 PolarHBondContact O-N 2.9Å; N760-H764 PolarHBondContact O-ND1 3.11Å; N760-H764 PolarHBondContact OD1-CE1 3.21Å; N760-H764 VanDerWaalsContact OD1-CE1 3.22Å; N760-H764 PolarHBondContact OD1-ND1 2.72Å
761	E	50.2	Low	48.1	Very low	156 Å²	156	83.5 Å²	83.5	73%	0.729	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-36.4	170.9	-65.7	-168.4	157.3	0	0	112.2	L763 H764 Q765	E761-L763 PolarHBondContact O-N 3.13Å; E761-H764 PolarHBondContact O-N 2.85Å; E761-Q765 WeakPolarHBondContact O-CG 3.37Å; E761-Q765 PolarHBondContact O-N 3.37Å
762	E	51.2	Low	47.9	Very low	56 Å²	56	83.3 Å²	83.3	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-35.7	179.4	-97.7	-170.1	-95	0	0	113.5	R253 N760 Q765 T766	R253-E762 IonicContact CZ-OE2 3.66Å; R253-E762 IonicContact NH1-OE2 3.65Å; R253-E762 PolarHBondContact NH1-OE2 2.95Å; R253-E762 IonicContact NH2-OE2 2.87Å; R253-E762 PolarHBondContact NH2-OE2 2.95Å; N760-E762 VanDerWaalsContact C-N 3.26Å; N760-E762 PolarHBondContact O-N 2.8Å; E762-Q765 PolarHBondContact O-N 3.43Å; E762-T766 VanDerWaalsContact O-CB 3.32Å; E762-T766 WeakPolarHBondContact O-CB 3.35Å; E762-T766 PolarHBondContact O-N 3.43Å; E762-T766 PolarHBondContact O-OG1 3.42Å
763	L	51.4	Low	47.7	Very low	6 Å²	6	83.7 Å²	83.7	3%	0.031	43%	0.43	C	S	.	.	H	α-helix	trans	-67.4	-46.9	173.1	-175.2	88.7	0	0	0	109.6	I245 Q246 A249 I336 L759 N760 E761 Q765 T766 L767	I245-L763 HydrophobicContact CG2-CD1 4.45Å; I245-L763 HydrophobicContact CG2-CD2 4.37Å; Q246-L763 HydrophobicContact CG-CD1 4.3Å; A249-L763 HydrophobicContact CB-CD1 3.33Å; I336-L763 HydrophobicContact CG2-CD2 3.67Å; L759-L763 WeakPolarHBondContact O-CA 3.49Å; L759-L763 WeakPolarHBondContact O-CB 3.25Å; L759-L763 PolarHBondContact O-N 3.18Å; N760-L763 PolarHBondContact O-N 3.29Å; E761-L763 PolarHBondContact O-N 3.13Å; L763-Q765 PolarHBondContact O-N 2.72Å; L763-T766 PolarHBondContact O-N 2.86Å; L763-T766 VanDerWaalsContact O-N 3.13Å; L763-L767 HydrophobicContact CD2-CD1 4.23Å; L763-L767 HydrophobicContact CG-CD1 3.97Å; L763-L767 HydrophobicContact CG-CG 4.38Å; L763-L767 WeakPolarHBondContact O-CB 3.38Å; L763-L767 WeakPolarHBondContact O-CG 3.15Å; L763-L767 PolarHBondContact O-N 3.12Å
764	H	54.9	Low	47.4	Very low	50 Å²	50	80.5 Å²	80.5	23%	0.231	43%	0.43	C	S	.	.	H	α-helix	trans	-59.3	-36.9	175.6	-70.5	85.5	0	0	0	111.6	D339 N760 E761 K768	D339-H764 IonicContact OD2-CD2 3.52Å; D339-H764 IonicContact OD2-NE2 2.92Å; N760-H764 PolarHBondContact O-N 2.9Å; N760-H764 PolarHBondContact O-ND1 3.11Å; N760-H764 PolarHBondContact OD1-CE1 3.21Å; N760-H764 VanDerWaalsContact OD1-CE1 3.22Å; N760-H764 PolarHBondContact OD1-ND1 2.72Å; E761-H764 PolarHBondContact O-N 2.85Å; H764-K768 VanDerWaalsContact O-CB 3.26Å; H764-K768 WeakPolarHBondContact O-CB 3.3Å; H764-K768 VanDerWaalsContact O-CD 3.29Å; H764-K768 WeakPolarHBondContact O-CD 3.45Å; H764-K768 WeakPolarHBondContact O-CG 3.25Å; H764-K768 PolarHBondContact O-N 3.18Å; H764-K768 VanDerWaalsContact O-N 3.17Å
765	Q	56.3	Low	47	Very low	98 Å²	98	81.8 Å²	81.8	46%	0.458	44%	0.44	S	S	.	.	H	α-helix	trans	-70.2	-44.4	172.4	-73.5	-178.5	49.3	0	0	112.4	E761 E762 L763 K768 Q769	E761-Q765 WeakPolarHBondContact O-CG 3.37Å; E761-Q765 PolarHBondContact O-N 3.37Å; E762-Q765 PolarHBondContact O-N 3.43Å; L763-Q765 PolarHBondContact O-N 2.72Å; Q765-K768 CarbonylContact O-C 3.59Å; Q765-K768 PolarHBondContact O-N 3.07Å; Q765-Q769 WeakPolarHBondContact O-CB 3.31Å; Q765-Q769 VanDerWaalsContact O-CG 3.23Å; Q765-Q769 WeakPolarHBondContact O-CG 3.27Å; Q765-Q769 PolarHBondContact O-N 3.02Å
766	T	54.5	Low	46.5	Very low	8 Å²	8	80.6 Å²	80.6	5%	0.049	44%	0.437	C	S	.	.	H	α-helix	trans	-62.8	-50.4	-177.6	-53.9	0	0	0	0	110.5	A249 R253 E762 L763 K768 Q769 S770	A249-T766 HydrophobicContact CB-CG2 4.32Å; A249-T766 WeakPolarHBondContact O-CG2 3.41Å; R253-T766 HydrophobicContact CB-CG2 4.02Å; R253-T766 PolarHBondContact NE-OG1 2.9Å; R253-T766 PolarHBondContact NH2-OG1 3.3Å; E762-T766 VanDerWaalsContact O-CB 3.32Å; E762-T766 WeakPolarHBondContact O-CB 3.35Å; E762-T766 PolarHBondContact O-N 3.43Å; E762-T766 PolarHBondContact O-OG1 3.42Å; L763-T766 PolarHBondContact O-N 2.86Å; L763-T766 VanDerWaalsContact O-N 3.13Å; T766-K768 PolarHBondContact O-N 3.24Å; T766-Q769 PolarHBondContact O-N 3.26Å; T766-Q769 VanDerWaalsContact O-N 3.07Å; T766-S770 PolarHBondContact O-N 3.04Å; T766-S770 PolarHBondContact O-OG 3.31Å; T766-S770 VanDerWaalsContact O-OG 3.05Å
767	L	55.6	Low	46.2	Very low	10 Å²	10	79.6 Å²	79.6	5%	0.052	43%	0.433	C	S	.	.	H	α-helix	trans	-56.8	-48.5	173.1	-64.7	170.5	0	0	0	110.5	W343 L763 Q769 S770	W343-L767 HydrophobicContact CD2-CB 4.36Å; W343-L767 HydrophobicContact CD2-CD2 3.79Å; W343-L767 HydrophobicContact CE3-CD2 3.82Å; W343-L767 HydrophobicContact CG-CB 4.12Å; W343-L767 HydrophobicContact CG-CD2 4.23Å; W343-L767 HydrophobicContact CH2-CD2 4.43Å; W343-L767 HydrophobicContact CZ2-CD2 4.4Å; W343-L767 HydrophobicContact CZ3-CD2 4.16Å; W343-L767 PolarHBondContact NE1-O 3.37Å; L763-L767 HydrophobicContact CD2-CD1 4.23Å; L763-L767 HydrophobicContact CG-CD1 3.97Å; L763-L767 HydrophobicContact CG-CG 4.38Å; L763-L767 WeakPolarHBondContact O-CB 3.38Å; L763-L767 WeakPolarHBondContact O-CG 3.15Å; L763-L767 PolarHBondContact O-N 3.12Å; L767-Q769 PolarHBondContact O-N 3.19Å; L767-Q769 VanDerWaalsContact O-N 3.13Å; L767-S770 PolarHBondContact O-N 3.01Å
768	K	56.3	Low	46.1	Very low	156 Å²	156	83.6 Å²	83.6	68%	0.678	43%	0.433	S	S	*	.	H	α-helix	trans	-61.9	-22.8	177.9	-75.1	171.2	-173.3	173	0	114.2	H764 Q765 T766	H764-K768 VanDerWaalsContact O-CB 3.26Å; H764-K768 WeakPolarHBondContact O-CB 3.3Å; H764-K768 VanDerWaalsContact O-CD 3.29Å; H764-K768 WeakPolarHBondContact O-CD 3.45Å; H764-K768 WeakPolarHBondContact O-CG 3.25Å; H764-K768 PolarHBondContact O-N 3.18Å; H764-K768 VanDerWaalsContact O-N 3.17Å; Q765-K768 CarbonylContact O-C 3.59Å; Q765-K768 PolarHBondContact O-N 3.07Å; T766-K768 PolarHBondContact O-N 3.24Å
769	Q	53.6	Low	45.4	Very low	126 Å²	126	86.3 Å²	86.3	59%	0.589	44%	0.441	S	S	*	.	H	α-helix	trans	-91.2	-34.9	179.5	-72.7	171.4	26.8	0	0	113.2	Q765 T766 L767 Q771	Q765-Q769 WeakPolarHBondContact O-CB 3.31Å; Q765-Q769 VanDerWaalsContact O-CG 3.23Å; Q765-Q769 WeakPolarHBondContact O-CG 3.27Å; Q765-Q769 PolarHBondContact O-N 3.02Å; T766-Q769 PolarHBondContact O-N 3.26Å; T766-Q769 VanDerWaalsContact O-N 3.07Å; L767-Q769 PolarHBondContact O-N 3.19Å; L767-Q769 VanDerWaalsContact O-N 3.13Å; Q769-Q771 VanDerWaalsContact C-N 3.35Å; Q769-Q771 PolarHBondContact O-N 2.84Å
770	S	50	Low	44.3	Very low	2 Å²	2	90.1 Å²	90.1	1%	0.014	47%	0.468	C	S	.	.			trans	-78.8	70.3	-167.7	53.7	0	0	0	0	114.8	Q252 E256 W343 T766 L767 I772	Q252-S770 PolarHBondContact OE1-OG 3.37Å; Q252-S770 VanDerWaalsContact OE1-OG 3.11Å; E256-S770 WeakPolarHBondContact OE1-CA 3.36Å; E256-S770 WeakPolarHBondContact OE1-CB 3.49Å; W343-S770 WeakPolarHBondContact CZ2-O 3.27Å; W343-S770 WeakPolarHBondContact CZ2-OG 3.4Å; T766-S770 PolarHBondContact O-N 3.04Å; T766-S770 PolarHBondContact O-OG 3.31Å; T766-S770 VanDerWaalsContact O-OG 3.05Å; L767-S770 PolarHBondContact O-N 3.01Å; S770-I772 PolarHBondContact O-N 3.38Å
771	Q	44.4	Very low	43.1	Very low	173 Å²	173	92.4 Å²	92.4	81%	0.808	49%	0.489	S	S	*	.			trans	-71.4	42.3	-178.3	-62.3	-168.7	6	0	0	115.1	Q769 G773	Q769-Q771 VanDerWaalsContact C-N 3.35Å; Q769-Q771 PolarHBondContact O-N 2.84Å; Q771-G773 VanDerWaalsContact C-N 3.33Å; Q771-G773 PolarHBondContact O-N 2.84Å
772	I	38.5	Very low	42	Very low	55 Å²	55	89.5 Å²	89.5	28%	0.282	49%	0.486	S	S	.	.			trans	-96.4	33.9	-179.9	-42.7	-171.5	0	0	0	111.9	E256 S770 G774 I775	E256-I772 HydrophobicContact CG-CD1 3.69Å; E256-I772 VanDerWaalsContact OE1-CD1 3.29Å; E256-I772 WeakPolarHBondContact OE1-CD1 3.4Å; E256-I772 WeakPolarHBondContact OE1-CG1 3.39Å; S770-I772 PolarHBondContact O-N 3.38Å; I772-G774 PolarHBondContact O-N 2.64Å; I772-I775 HydrophobicContact CG2-CB 4.09Å; I772-I775 HydrophobicContact CG2-CD1 3.59Å; I772-I775 HydrophobicContact CG2-CG1 3.76Å
773	G	35.1	Very low	40.9	Very low	69 Å²	69	98.1 Å²	98.1	71%	0.711	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	11.2	172.1	0	0	0	0	0	115.6	Q771	Q771-G773 VanDerWaalsContact C-N 3.33Å; Q771-G773 PolarHBondContact O-N 2.84Å
774	G	33.7	Very low	39.7	Very low	61 Å²	61	103.6 Å²	103.6	63%	0.629	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-13.2	-176.6	0	0	0	0	0	116.1	I772	I772-G774 PolarHBondContact O-N 2.64Å
775	I	37.1	Very low	38.5	Very low	108 Å²	108	107.2 Å²	107.2	55%	0.554	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-33.5	-170.4	-60.3	-174.5	0	0	0	113.1	I772 K777	I772-I775 HydrophobicContact CG2-CB 4.09Å; I772-I775 HydrophobicContact CG2-CD1 3.59Å; I772-I775 HydrophobicContact CG2-CG1 3.76Å; I775-K777 PolarHBondContact O-N 2.75Å; I775-K777 VanDerWaalsContact O-N 3.15Å
776	L	34.9	Very low	37.3	Very low	99 Å²	99	109.5 Å²	109.5	52%	0.518	59%	0.594	S	S	.	*			trans	-80.4	15.4	-179.3	-67	174.6	0	0	0	114.8	Q290 Q778	Q290-L776 HydrophobicContact CG-CD1 4.25Å; Q290-L776 HydrophobicContact CG-CD2 3.86Å; L776-Q778 PolarHBondContact O-N 2.74Å
777	K	32.5	Very low	36.5	Very low	129 Å²	129	113 Å²	113	56%	0.561	62%	0.616	S	S	*	*			trans	-82.2	67	171.2	-69.2	-171	-179.3	-178.4	0	111.2	I775 K779 M786	I775-K777 PolarHBondContact O-N 2.75Å; I775-K777 VanDerWaalsContact O-N 3.15Å; K777-K779 PolarHBondContact O-N 3.33Å; K777-M786 PolarHBondContact NZ-SD 2.92Å
778	Q	33.7	Very low	35.8	Very low	152 Å²	152	121 Å²	121	71%	0.71	65%	0.65	S	S	*	*			trans	-54.4	137.3	151.1	-79.1	-165	-6.2	0	0	108	L776 P780	L776-Q778 PolarHBondContact O-N 2.74Å; Q778-P780 VanDerWaalsContact O-CD 3.28Å; Q778-P780 WeakPolarHBondContact O-CD 3.43Å
779	K	25.8	Very low	35.4	Very low	195 Å²	195	119.9 Å²	119.9	85%	0.848	65%	0.65	S	S	*	*			trans	-94.1	108.8	-155.3	176.1	-174.2	175.1	-173.1	0	111.3	K777	K777-K779 PolarHBondContact O-N 3.33Å
780	P	27.6	Very low	35.4	Very low	119 Å²	119	115.9 Å²	115.9	77%	0.773	64%	0.635	S	S	*	*			trans	-64.7	144.2	166.1	-11.7	28.8	0	0	0	108.8	Q778 S782	Q778-P780 VanDerWaalsContact O-CD 3.28Å; Q778-P780 WeakPolarHBondContact O-CD 3.43Å; P780-S782 PolarHBondContact O-N 3.27Å
781	S	27.8	Very low	36.2	Very low	112 Å²	112	122 Å²	122	78%	0.783	66%	0.664	S	S	*	*	S	Bend	trans	-76	124	179.6	-167.7	0	0	0	0	111.6
782	S	27.9	Very low	37.7	Very low	96 Å²	96	113.9 Å²	113.9	67%	0.671	63%	0.626	S	S	*	*	S	Bend	trans	75.3	142.6	161.8	84	0	0	0	0	119.4	P780	P780-S782 PolarHBondContact O-N 3.27Å
783	R	26.8	Very low	39.4	Very low	236 Å²	236	112.9 Å²	112.9	89%	0.891	62%	0.624	S	S	*	*			trans	58.8	68.9	157.9	-58.6	-177	-175.7	-168.8	2.1	119.2
784	C	26.3	Very low	41.5	Very low	122 Å²	122	113.7 Å²	113.7	82%	0.824	61%	0.605	S	S	*	*			trans	-167.8	131.9	131.5	-113.7	0	0	0	0	111.3	M786	C784-M786 PolarHBondContact O-N 3.05Å
785	P	29.9	Very low	43.8	Very low	126 Å²	126	118.2 Å²	118.2	82%	0.818	61%	0.613	S	S	*	*			trans	-81.3	103.5	177.5	31.6	-31.9	0	0	0	111.1	V787	P785-V787 PolarHBondContact O-N 3.31Å
786	M	31.1	Very low	45.9	Very low	146 Å²	146	113.5 Å²	113.5	72%	0.719	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-71.7	116.7	166.2	-84.9	-160.6	77.2	0	0	110.4	K777 C784 K788	K777-M786 PolarHBondContact NZ-SD 2.92Å; C784-M786 PolarHBondContact O-N 3.05Å; M786-K788 PolarHBondContact O-N 3.48Å
787	V	37.5	Very low	48.4	Very low	81 Å²	81	112.4 Å²	112.4	49%	0.491	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-56.2	132.9	167.1	177.6	0	0	0	0	109.5	P785 D803	P785-V787 PolarHBondContact O-N 3.31Å; V787-D803 HydrophobicContact CG1-CB 4.13Å
788	K	41.1	Very low	50.9	Low	179 Å²	179	110.7 Å²	110.7	78%	0.778	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-74.2	129.9	164.9	-76.4	-179.8	176.6	177.5	0	107.4	M786 C790	M786-K788 PolarHBondContact O-N 3.48Å; K788-C790 VanDerWaalsContact C-N 3.34Å; K788-C790 PolarHBondContact O-N 2.95Å
789	I	47.2	Very low	53.1	Low	131 Å²	131	109 Å²	109	67%	0.672	57%	0.572	S	S	*	*			trans	-67.8	97.1	172.5	-57.8	176.9	0	0	0	107.7	A807	I789-A807 HydrophobicContact CD1-CB 4.44Å; I789-A807 HydrophobicContact CG1-CB 4.18Å; I789-A807 HydrophobicContact CG2-CB 4.19Å
790	C	54.2	Low	55.7	Low	42 Å²	42	101.4 Å²	101.4	28%	0.284	54%	0.541	S	S	.	.			trans	-67.4	132.1	174.9	-77.4	0	0	0	0	109.9	K788 L792 D800	K788-C790 VanDerWaalsContact C-N 3.34Å; K788-C790 PolarHBondContact O-N 2.95Å; C790-L792 PolarHBondContact O-N 3.07Å; C790-D800 HydrophobicContact CB-CB 4.28Å; C790-D800 WeakPolarHBondContact CB-OD1 3.49Å; C790-D800 PolarHBondContact SG-OD1 3.12Å
791	E	66.8	Low	58.5	Low	132 Å²	132	95.8 Å²	95.8	62%	0.617	50%	0.504	S	S	*	.			trans	-82.6	102.4	-176.9	-127	-161.1	-136.3	0	0	109.7	S793 R875	E791-S793 PolarHBondContact O-N 3.34Å; E791-R875 VanDerWaalsContact C-NH2 3.33Å; E791-R875 PolarHBondContact O-NH2 2.88Å; E791-R875 IonicContact OE1-NH1 2.75Å; E791-R875 IonicContact OE2-CZ 2.7Å; E791-R875 IonicContact OE2-NH1 2.81Å; E791-R875 PolarHBondContact OE2-NH1 3.32Å; E791-R875 IonicContact OE2-NH2 2.65Å; E791-R875 PolarHBondContact OE2-NH2 3.36Å
792	L	76.6	Confident	61.1	Low	1 Å²	1	91.1 Å²	91.1	1%	0.005	47%	0.473	C	S	.	.			trans	-49.1	126.7	-170.9	-170	74.3	0	0	0	112.6	C790 V801 W804 L872 R875	C790-L792 PolarHBondContact O-N 3.07Å; L792-V801 HydrophobicContact CD1-CG2 3.77Å; L792-W804 HydrophobicContact CB-CD2 4.02Å; L792-W804 HydrophobicContact CB-CG 3.89Å; L792-W804 HydrophobicContact CD1-CB 4.47Å; L792-W804 HydrophobicContact CD1-CG 4.45Å; L792-W804 HydrophobicContact CD2-CD2 3.99Å; L792-W804 HydrophobicContact CD2-CE3 3.99Å; L792-W804 HydrophobicContact CD2-CH2 4.18Å; L792-W804 HydrophobicContact CD2-CZ2 4.17Å; L792-W804 HydrophobicContact CD2-CZ3 4.09Å; L792-W804 HydrophobicContact CG-CD2 4.42Å; L792-L872 HydrophobicContact CD2-CD2 3.83Å; L792-R875 VanDerWaalsContact O-CZ 3.26Å; L792-R875 PolarHBondContact O-NE 3.34Å; L792-R875 PolarHBondContact O-NH2 3.02Å
793	S	74.4	Confident	63.4	Low	34 Å²	34	88 Å²	88	24%	0.238	45%	0.449	C	S	.	.			trans	-145.5	172.2	-171.8	72.6	0	0	0	0	111.3	E791 I795 S796 G845	E791-S793 PolarHBondContact O-N 3.34Å; S793-I795 PolarHBondContact O-N 3.26Å; S793-I795 VanDerWaalsContact O-N 3.09Å; S793-I795 VanDerWaalsContact OG-CG1 3.31Å; S793-I795 WeakPolarHBondContact OG-CG1 3.41Å; S793-I795 PolarHBondContact OG-N 3.11Å; S793-S796 PolarHBondContact N-OG 3.2Å; S793-S796 WeakPolarHBondContact O-CB 3.45Å; S793-S796 PolarHBondContact O-N 2.68Å; S793-S796 PolarHBondContact O-OG 3.25Å; S793-S796 PolarHBondContact OG-N 3.37Å; S793-S796 PolarHBondContact OG-OG 3.39Å; S793-G845 WeakPolarHBondContact O-CA 3.46Å
794	R	79.3	Confident	66.1	Low	87 Å²	87	77.4 Å²	77.4	33%	0.328	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.4	176.5	-157.8	178.5	-166.9	138	11.9	113.9	E846 F881 V882	R794-E846 HydrophobicContact CG-CB 3.95Å; R794-E846 HydrophobicContact CG-CG 4.08Å; R794-E846 IonicContact CZ-OE1 2.68Å; R794-E846 IonicContact NE-OE1 2.7Å; R794-E846 PolarHBondContact NE-OE1 3.03Å; R794-E846 IonicContact NH2-OE1 3.74Å; R794-E846 PolarHBondContact NH2-OE1 3.11Å; R794-F881 HydrophobicContact CG-CE2 4.45Å; R794-V882 PolarHBondContact NH1-O 2.93Å
795	I	81.4	Confident	68.9	Low	155 Å²	155	71.7 Å²	71.7	80%	0.795	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	5.9	177.2	62.8	170.2	0	0	0	113.3	S793	S793-I795 PolarHBondContact O-N 3.26Å; S793-I795 VanDerWaalsContact O-N 3.09Å; S793-I795 VanDerWaalsContact OG-CG1 3.31Å; S793-I795 WeakPolarHBondContact OG-CG1 3.41Å; S793-I795 PolarHBondContact OG-N 3.11Å
796	S	81.4	Confident	71.2	Confident	9 Å²	9	70.6 Å²	70.6	6%	0.063	35%	0.354	C	S	.	.			trans	-69.2	131.7	178.3	-72.2	0	0	0	0	111.3	S793 G845	S793-S796 PolarHBondContact N-OG 3.2Å; S793-S796 WeakPolarHBondContact O-CB 3.45Å; S793-S796 PolarHBondContact O-N 2.68Å; S793-S796 PolarHBondContact O-OG 3.25Å; S793-S796 PolarHBondContact OG-N 3.37Å; S793-S796 PolarHBondContact OG-OG 3.39Å; S796-G845 PolarHBondContact O-N 3.31Å
797	T	86.2	Confident	73.2	Confident	76 Å²	76	66.2 Å²	66.2	47%	0.466	34%	0.341	S	S	.	.			trans	-73.2	170.3	178.3	69.6	0	0	0	0	111.9	Q799 D800 V801	T797-Q799 PolarHBondContact O-N 2.61Å; T797-Q799 PolarHBondContact OG1-N 3.49Å; T797-D800 VanDerWaalsContact CB-OD2 3.3Å; T797-D800 WeakPolarHBondContact CB-OD2 3.41Å; T797-D800 WeakPolarHBondContact CG2-OD2 3.41Å; T797-D800 PolarHBondContact N-OD2 3.3Å; T797-D800 PolarHBondContact O-N 2.75Å; T797-D800 VanDerWaalsContact O-N 3.12Å; T797-D800 PolarHBondContact OG1-N 3.15Å; T797-D800 PolarHBondContact OG1-OD2 2.75Å; T797-V801 WeakPolarHBondContact O-CG2 3.46Å; T797-V801 PolarHBondContact O-N 2.88Å
798	K	85.9	Confident	75.1	Confident	94 Å²	94	66.5 Å²	66.5	41%	0.409	34%	0.335	S	S	.	.	H	α-helix	trans	-52.6	-34.6	169	-68.3	-174.4	175	-167.2	0	113	A802 D842	K798-A802 PolarHBondContact O-N 3.49Å; K798-A802 VanDerWaalsContact O-N 3.1Å; K798-D842 WeakPolarHBondContact CE-O 3.49Å; K798-D842 PolarHBondContact NZ-O 3.29Å; K798-D842 IonicContact NZ-OD1 3.39Å; K798-D842 PolarHBondContact NZ-OD1 3.22Å
799	Q	79	Confident	76.6	Confident	117 Å²	117	59.7 Å²	59.7	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-73.3	-43.2	177.2	-169	63	48.4	0	0	111.3	T797 V801 A802 D803	T797-Q799 PolarHBondContact O-N 2.61Å; T797-Q799 PolarHBondContact OG1-N 3.49Å; Q799-V801 PolarHBondContact O-N 3.37Å; Q799-A802 PolarHBondContact O-N 3.19Å; Q799-A802 VanDerWaalsContact O-N 3.13Å; Q799-D803 PolarHBondContact NE2-OD1 2.94Å; Q799-D803 WeakPolarHBondContact O-CB 3.3Å; Q799-D803 VanDerWaalsContact O-CG 3.29Å; Q799-D803 PolarHBondContact O-N 3.3Å
800	D	82.3	Confident	77.8	Confident	35 Å²	35	53.5 Å²	53.5	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-34.5	174.5	-61.4	-75.8	0	0	0	111.9	C790 T797 W804	C790-D800 HydrophobicContact CB-CB 4.28Å; C790-D800 WeakPolarHBondContact CB-OD1 3.49Å; C790-D800 PolarHBondContact SG-OD1 3.12Å; T797-D800 VanDerWaalsContact CB-OD2 3.3Å; T797-D800 WeakPolarHBondContact CB-OD2 3.41Å; T797-D800 WeakPolarHBondContact CG2-OD2 3.41Å; T797-D800 PolarHBondContact N-OD2 3.3Å; T797-D800 PolarHBondContact O-N 2.75Å; T797-D800 VanDerWaalsContact O-N 3.12Å; T797-D800 PolarHBondContact OG1-N 3.15Å; T797-D800 PolarHBondContact OG1-OD2 2.75Å; D800-W804 WeakPolarHBondContact O-CB 3.42Å; D800-W804 PolarHBondContact O-N 3.45Å
801	V	85.4	Confident	78.2	Confident	1 Å²	1	53 Å²	53	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-48.6	173	168.7	0	0	0	0	111	L792 T797 Q799 W804 L805 Y843 V848	L792-V801 HydrophobicContact CD1-CG2 3.77Å; T797-V801 WeakPolarHBondContact O-CG2 3.46Å; T797-V801 PolarHBondContact O-N 2.88Å; Q799-V801 PolarHBondContact O-N 3.37Å; V801-W804 PolarHBondContact O-N 2.93Å; V801-L805 HydrophobicContact CG1-CD1 4.02Å; V801-L805 WeakPolarHBondContact O-CB 3.44Å; V801-L805 VanDerWaalsContact O-CG 3.3Å; V801-L805 WeakPolarHBondContact O-CG 3.11Å; V801-L805 PolarHBondContact O-N 3.42Å; V801-Y843 WeakPolarHBondContact CG2-O 3.38Å; V801-V848 HydrophobicContact CG1-CG2 3.88Å; V801-V848 HydrophobicContact CG2-CG2 4.14Å
802	A	81.9	Confident	77.4	Confident	14 Å²	14	47.5 Å²	47.5	12%	0.116	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-46.9	178.1	0	0	0	0	0	112.1	K798 Q799 W804 L805 Q806	K798-A802 PolarHBondContact O-N 3.49Å; K798-A802 VanDerWaalsContact O-N 3.1Å; Q799-A802 PolarHBondContact O-N 3.19Å; Q799-A802 VanDerWaalsContact O-N 3.13Å; A802-W804 VanDerWaalsContact C-N 3.34Å; A802-W804 PolarHBondContact O-N 2.91Å; A802-L805 PolarHBondContact O-N 2.84Å; A802-Q806 WeakPolarHBondContact O-CB 3.45Å; A802-Q806 PolarHBondContact O-N 2.97Å
803	D	76.6	Confident	75.6	Confident	31 Å²	31	58.4 Å²	58.4	17%	0.166	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-39.7	177.6	-69.8	4.8	0	0	0	111.3	V787 Q799 Q806 A807	V787-D803 HydrophobicContact CG1-CB 4.13Å; Q799-D803 PolarHBondContact NE2-OD1 2.94Å; Q799-D803 WeakPolarHBondContact O-CB 3.3Å; Q799-D803 VanDerWaalsContact O-CG 3.29Å; Q799-D803 PolarHBondContact O-N 3.3Å; D803-Q806 PolarHBondContact O-N 3.13Å; D803-A807 VanDerWaalsContact O-CB 3.27Å; D803-A807 WeakPolarHBondContact O-CB 3.27Å; D803-A807 PolarHBondContact O-N 2.87Å
804	W	83.5	Confident	73.6	Confident	12 Å²	12	62.1 Å²	62.1	5%	0.045	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-42.2	175.8	-179.3	89.4	0	0	0	112.3	L792 D800 V801 A802 A807 K808 L868 Q871 L872	L792-W804 HydrophobicContact CB-CD2 4.02Å; L792-W804 HydrophobicContact CB-CG 3.89Å; L792-W804 HydrophobicContact CD1-CB 4.47Å; L792-W804 HydrophobicContact CD1-CG 4.45Å; L792-W804 HydrophobicContact CD2-CD2 3.99Å; L792-W804 HydrophobicContact CD2-CE3 3.99Å; L792-W804 HydrophobicContact CD2-CH2 4.18Å; L792-W804 HydrophobicContact CD2-CZ2 4.17Å; L792-W804 HydrophobicContact CD2-CZ3 4.09Å; L792-W804 HydrophobicContact CG-CD2 4.42Å; D800-W804 WeakPolarHBondContact O-CB 3.42Å; D800-W804 PolarHBondContact O-N 3.45Å; V801-W804 PolarHBondContact O-N 2.93Å; A802-W804 VanDerWaalsContact C-N 3.34Å; A802-W804 PolarHBondContact O-N 2.91Å; W804-A807 PolarHBondContact O-N 2.65Å; W804-K808 HydrophobicContact CD2-CG 3.97Å; W804-K808 HydrophobicContact CE3-CG 4.31Å; W804-K808 HydrophobicContact CG-CG 4.47Å; W804-K808 HydrophobicContact CH2-CG 4.37Å; W804-K808 HydrophobicContact CZ2-CD 4.4Å; W804-K808 HydrophobicContact CZ2-CG 4.01Å; W804-K808 HydrophobicContact CZ3-CG 4.5Å; W804-K808 VanDerWaalsContact O-CB 3.27Å; W804-K808 WeakPolarHBondContact O-CB 3.33Å; W804-K808 WeakPolarHBondContact O-CG 3.39Å; W804-K808 PolarHBondContact O-N 2.7Å; W804-L868 HydrophobicContact CH2-CD1 4.37Å; W804-L868 HydrophobicContact CZ3-CD1 3.9Å; W804-Q871 HydrophobicContact CH2-CB 3.93Å; W804-Q871 HydrophobicContact CZ2-CB 4.44Å; W804-L872 HydrophobicContact CH2-CD2 4.16Å
805	L	84.7	Confident	71.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-42.5	174.9	-75.3	169.5	0	0	0	111.4	V801 A802 K808 G809 F810 T836 V837 M840 L868	V801-L805 HydrophobicContact CG1-CD1 4.02Å; V801-L805 WeakPolarHBondContact O-CB 3.44Å; V801-L805 VanDerWaalsContact O-CG 3.3Å; V801-L805 WeakPolarHBondContact O-CG 3.11Å; V801-L805 PolarHBondContact O-N 3.42Å; A802-L805 PolarHBondContact O-N 2.84Å; L805-K808 CarbonylContact O-C 3.59Å; L805-K808 PolarHBondContact O-N 3.21Å; L805-G809 PolarHBondContact O-N 3.24Å; L805-F810 HydrophobicContact CB-CB 4.2Å; L805-F810 HydrophobicContact CD2-CB 4.11Å; L805-F810 HydrophobicContact CD2-CD2 3.69Å; L805-F810 HydrophobicContact CD2-CE2 4.27Å; L805-F810 HydrophobicContact CD2-CG 3.94Å; L805-F810 PolarHBondContact O-N 3.3Å; L805-T836 HydrophobicContact CD2-CG2 4.44Å; L805-V837 HydrophobicContact CB-CG2 3.55Å; L805-V837 HydrophobicContact CD1-CG2 4.3Å; L805-M840 HydrophobicContact CD1-CB 3.45Å; L805-M840 VanDerWaalsContact CD1-CB 3.45Å; L805-M840 HydrophobicContact CD1-CG 4.04Å; L805-L868 HydrophobicContact CD2-CD1 3.73Å; L805-L868 HydrophobicContact CD2-CD2 4.38Å
806	Q	78.3	Confident	69	Low	103 Å²	103	65.5 Å²	65.5	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-48.3	174.6	-163.4	-179.9	32.9	0	0	111.1	A802 D803 K808 G809 S811	A802-Q806 WeakPolarHBondContact O-CB 3.45Å; A802-Q806 PolarHBondContact O-N 2.97Å; D803-Q806 PolarHBondContact O-N 3.13Å; Q806-K808 PolarHBondContact O-N 2.81Å; Q806-G809 PolarHBondContact O-N 3.12Å; Q806-G809 VanDerWaalsContact O-N 3.12Å; Q806-S811 WeakPolarHBondContact CG-OG 3.21Å
807	A	73.9	Confident	66.5	Low	55 Å²	55	71.3 Å²	71.3	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-64.6	-25	176.4	0	0	0	0	0	113.8	I789 D803 W804	I789-A807 HydrophobicContact CD1-CB 4.44Å; I789-A807 HydrophobicContact CG1-CB 4.18Å; I789-A807 HydrophobicContact CG2-CB 4.19Å; D803-A807 VanDerWaalsContact O-CB 3.27Å; D803-A807 WeakPolarHBondContact O-CB 3.27Å; D803-A807 PolarHBondContact O-N 2.87Å; W804-A807 PolarHBondContact O-N 2.65Å
808	K	77	Confident	64.1	Low	86 Å²	86	76.7 Å²	76.7	37%	0.374	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.3	175.6	-73.1	-72.2	-174.1	165.7	0	114.2	W804 L805 Q806 F810	W804-K808 HydrophobicContact CD2-CG 3.97Å; W804-K808 HydrophobicContact CE3-CG 4.31Å; W804-K808 HydrophobicContact CG-CG 4.47Å; W804-K808 HydrophobicContact CH2-CG 4.37Å; W804-K808 HydrophobicContact CZ2-CD 4.4Å; W804-K808 HydrophobicContact CZ2-CG 4.01Å; W804-K808 HydrophobicContact CZ3-CG 4.5Å; W804-K808 VanDerWaalsContact O-CB 3.27Å; W804-K808 WeakPolarHBondContact O-CB 3.33Å; W804-K808 WeakPolarHBondContact O-CG 3.39Å; W804-K808 PolarHBondContact O-N 2.7Å; L805-K808 CarbonylContact O-C 3.59Å; L805-K808 PolarHBondContact O-N 3.21Å; Q806-K808 PolarHBondContact O-N 2.81Å; K808-F810 HydrophobicContact CB-CD2 3.71Å; K808-F810 HydrophobicContact CB-CE2 3.8Å
809	G	72.3	Confident	61.6	Low	36 Å²	36	81 Å²	81	37%	0.371	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	22.9	176.8	0	0	0	0	0	114.8	L805 Q806 S811	L805-G809 PolarHBondContact O-N 3.24Å; Q806-G809 PolarHBondContact O-N 3.12Å; Q806-G809 VanDerWaalsContact O-N 3.12Å; G809-S811 PolarHBondContact O-N 2.89Å
810	F	73.5	Confident	59.5	Low	2 Å²	2	78.4 Å²	78.4	1%	0.009	41%	0.414	C	S	.	.			trans	-86.1	37.5	167.6	-63	-86	0	0	0	111.3	L805 K808 T833 T836 V837 E864 R867 L868 Q871	L805-F810 HydrophobicContact CB-CB 4.2Å; L805-F810 HydrophobicContact CD2-CB 4.11Å; L805-F810 HydrophobicContact CD2-CD2 3.69Å; L805-F810 HydrophobicContact CD2-CE2 4.27Å; L805-F810 HydrophobicContact CD2-CG 3.94Å; L805-F810 PolarHBondContact O-N 3.3Å; K808-F810 HydrophobicContact CB-CD2 3.71Å; K808-F810 HydrophobicContact CB-CE2 3.8Å; F810-T833 CarbonylContact C-O 3.44Å; F810-T836 HydrophobicContact CB-CG2 4.13Å; F810-T836 HydrophobicContact CD1-CG2 3.96Å; F810-T836 HydrophobicContact CG-CG2 4.29Å; F810-V837 WeakPolarHBondContact O-CG2 3.31Å; F810-E864 WeakPolarHBondContact CD1-OE2 3.47Å; F810-R867 HydrophobicContact CE1-CB 4.36Å; F810-R867 HydrophobicContact CE1-CG 4.23Å; F810-R867 HydrophobicContact CZ-CG 4.33Å; F810-L868 HydrophobicContact CE1-CB 3.97Å; F810-L868 HydrophobicContact CE2-CD1 4.26Å; F810-L868 HydrophobicContact CZ-CB 4.03Å; F810-L868 HydrophobicContact CZ-CD1 4.14Å; F810-Q871 HydrophobicContact CE2-CG 4.26Å; F810-Q871 HydrophobicContact CZ-CG 4.24Å
811	S	63	Low	57.2	Low	32 Å²	32	85.9 Å²	85.9	22%	0.224	45%	0.445	C	S	.	.	S	Bend	trans	-155.6	130.1	-179.5	63	0	0	0	0	111.3	Q806 G809	Q806-S811 WeakPolarHBondContact CG-OG 3.21Å; G809-S811 PolarHBondContact O-N 2.89Å
812	G	49.4	Very low	54.9	Low	15 Å²	15	95.3 Å²	95.3	16%	0.155	49%	0.486	C	S	.	.			trans	-65.6	146.9	162.7	0	0	0	0	0	111	S814 C834	G812-S814 PolarHBondContact O-N 2.96Å; G812-C834 PolarHBondContact N-SG 3.21Å; G812-C834 VanDerWaalsContact N-SG 3.39Å
813	R	37.5	Very low	52.7	Low	230 Å²	230	98.3 Å²	98.3	87%	0.868	51%	0.506	S	S	*	.			trans	-67.4	116	175.8	-81.8	-173.2	171	-161.7	-1.2	110.1	F815	R813-F815 VanDerWaalsContact C-N 3.3Å; R813-F815 PolarHBondContact O-N 3.46Å
814	S	32.6	Very low	51	Low	112 Å²	112	102.9 Å²	102.9	78%	0.783	54%	0.537	S	S	*	.	S	Bend	trans	-76.1	74.6	175.5	57.2	0	0	0	0	111.9	G812	G812-S814 PolarHBondContact O-N 2.96Å
815	F	29	Very low	49	Very low	193 Å²	193	110.5 Å²	110.5	85%	0.846	57%	0.573	S	S	*	*			trans	-154.7	80.6	162.4	-159.3	-88.6	0	0	0	110.3	R813	R813-F815 VanDerWaalsContact C-N 3.3Å; R813-F815 PolarHBondContact O-N 3.46Å
816	I	35	Very low	47	Very low	120 Å²	120	115 Å²	115	62%	0.615	60%	0.6	S	S	*	*			trans	-133.6	133.7	166.6	-59.2	-178.6	0	0	0	106.6	A820 F830	I816-A820 HydrophobicContact CG2-CB 3.75Å; I816-F830 HydrophobicContact CD1-CE1 4.41Å; I816-F830 HydrophobicContact CD1-CZ 4.07Å
817	D	30.4	Very low	45.3	Very low	131 Å²	131	115 Å²	115	70%	0.701	60%	0.603	S	S	*	*			trans	-70	159.1	-177.4	-139.8	-36.5	0	0	0	112.1	Q819	D817-Q819 PolarHBondContact O-N 2.92Å
818	E	34.1	Very low	43.9	Very low	190 Å²	190	119.2 Å²	119.2	89%	0.888	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	2.4	-164.4	-147.8	169	-162.6	0	0	114.5
819	Q	35	Very low	42.2	Very low	183 Å²	183	120.3 Å²	120.3	86%	0.855	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-2.7	-171.4	-59.9	-173.9	0.9	0	0	114.9	D817 F821	D817-Q819 PolarHBondContact O-N 2.92Å; Q819-F821 VanDerWaalsContact C-N 3.3Å; Q819-F821 PolarHBondContact O-N 3.06Å
820	A	35.2	Very low	40.7	Very low	64 Å²	64	123 Å²	123	53%	0.529	63%	0.627	S	S	.	*			trans	-81.7	8	-172.6	0	0	0	0	0	115.9	I816 F822	I816-A820 HydrophobicContact CG2-CB 3.75Å; A820-F822 VanDerWaalsContact C-N 3.27Å; A820-F822 PolarHBondContact O-N 3.09Å; A820-F822 VanDerWaalsContact O-N 3.09Å
821	F	33.8	Very low	39.2	Very low	191 Å²	191	127.2 Å²	127.2	84%	0.838	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	2	-161.9	-141.3	-94	0	0	0	116.6	Q819	Q819-F821 VanDerWaalsContact C-N 3.3Å; Q819-F821 PolarHBondContact O-N 3.06Å
822	F	36.1	Very low	38.4	Very low	200 Å²	200	129 Å²	129	88%	0.877	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	28.1	-169	-86	-81.3	0	0	0	115.3	A820	A820-F822 VanDerWaalsContact C-N 3.27Å; A820-F822 PolarHBondContact O-N 3.09Å; A820-F822 VanDerWaalsContact O-N 3.09Å
823	S	36.8	Very low	38.6	Very low	76 Å²	76	129.3 Å²	129.3	53%	0.531	66%	0.659	S	S	.	*			trans	-114.1	119.5	179.4	-167.9	0	0	0	0	113.1	H825	S823-H825 PolarHBondContact O-N 2.81Å
824	P	40.6	Very low	39.5	Very low	128 Å²	128	120.8 Å²	120.8	83%	0.831	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	20.4	-171.4	33.1	-37.7	0	0	0	115
825	H	41.2	Very low	41.2	Very low	172 Å²	172	122.7 Å²	122.7	80%	0.796	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	15.5	-174.6	-96.6	-62.7	0	0	0	114.8	S823 N827	S823-H825 PolarHBondContact O-N 2.81Å; H825-N827 PolarHBondContact O-N 3.22Å
826	V	42.6	Very low	43.3	Very low	95 Å²	95	113.5 Å²	113.5	58%	0.576	58%	0.583	S	S	*	*			trans	-66.1	118.4	177	-175.9	0	0	0	0	110.7	M828 F830 V831	V826-M828 PolarHBondContact O-N 3.43Å; V826-F830 HydrophobicContact CG1-CD1 4.41Å; V826-V831 HydrophobicContact CG1-CG2 4.22Å
827	N	42.3	Very low	45.3	Very low	103 Å²	103	109.4 Å²	109.4	55%	0.551	56%	0.564	S	S	*	*			trans	-66.6	122.3	-178.6	-174.9	-28.8	0	0	0	110.9	H825 N829 F830	H825-N827 PolarHBondContact O-N 3.22Å; N827-N829 PolarHBondContact O-N 3.32Å; N827-N829 PolarHBondContact OD1-N 2.83Å; N827-N829 PolarHBondContact OD1-ND2 3.36Å; N827-F830 VanDerWaalsContact O-CB 3.22Å; N827-F830 WeakPolarHBondContact O-CB 3.34Å; N827-F830 PolarHBondContact O-N 3.17Å
828	M	44.7	Very low	47.5	Very low	145 Å²	145	108.2 Å²	108.2	71%	0.714	56%	0.557	S	S	*	*	H	α-helix	trans	-48.4	-33.4	-178.4	-91.4	-74	-171.4	0	0	114.5	V826 F830 V831 L832	V826-M828 PolarHBondContact O-N 3.43Å; M828-F830 PolarHBondContact O-N 3.01Å; M828-V831 PolarHBondContact O-N 3.47Å; M828-V831 VanDerWaalsContact O-N 3.15Å; M828-L832 PolarHBondContact O-N 3.2Å; M828-L832 VanDerWaalsContact O-N 3.15Å
829	N	42.1	Very low	49.8	Very low	109 Å²	109	101.8 Å²	101.8	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-25.9	178	-63.1	-75.9	0	0	0	113.4	N827 T833	N827-N829 PolarHBondContact O-N 3.32Å; N827-N829 PolarHBondContact OD1-N 2.83Å; N827-N829 PolarHBondContact OD1-ND2 3.36Å; N829-T833 PolarHBondContact O-N 3.14Å; N829-T833 PolarHBondContact O-OG1 3.4Å
830	F	39	Very low	52	Low	92 Å²	92	93.1 Å²	93.1	40%	0.404	49%	0.488	S	S	.	.	H	α-helix	trans	-72.6	-33.3	175.7	-168.9	-100.1	0	0	0	112	I816 V826 N827 M828 T833	I816-F830 HydrophobicContact CD1-CE1 4.41Å; I816-F830 HydrophobicContact CD1-CZ 4.07Å; V826-F830 HydrophobicContact CG1-CD1 4.41Å; N827-F830 VanDerWaalsContact O-CB 3.22Å; N827-F830 WeakPolarHBondContact O-CB 3.34Å; N827-F830 PolarHBondContact O-N 3.17Å; M828-F830 PolarHBondContact O-N 3.01Å; F830-T833 PolarHBondContact O-OG1 2.95Å
831	V	42.7	Very low	54	Low	90 Å²	90	97.9 Å²	97.9	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-76.5	-40.2	178.1	-174.8	0	0	0	0	111	V826 M828	V826-V831 HydrophobicContact CG1-CG2 4.22Å; M828-V831 PolarHBondContact O-N 3.47Å; M828-V831 VanDerWaalsContact O-N 3.15Å
832	L	45.7	Very low	56.2	Low	70 Å²	70	93.8 Å²	93.8	37%	0.366	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-44.6	179.3	-77.2	162.4	0	0	0	113	M828 C834 R835 E864	M828-L832 PolarHBondContact O-N 3.2Å; M828-L832 VanDerWaalsContact O-N 3.15Å; L832-C834 VanDerWaalsContact C-N 3.35Å; L832-C834 PolarHBondContact O-N 3.22Å; L832-R835 VanDerWaalsContact O-CB 3.22Å; L832-R835 WeakPolarHBondContact O-CB 3.17Å; L832-R835 PolarHBondContact O-N 3.29Å; L832-E864 HydrophobicContact CB-CG 4.43Å
833	T	53.7	Low	58.5	Low	22 Å²	22	86.8 Å²	86.8	14%	0.135	45%	0.447	C	S	.	.	H	α-helix	trans	-63.5	-36.1	-177	42.4	0	0	0	0	113.2	F810 N829 F830 R835	F810-T833 CarbonylContact C-O 3.44Å; N829-T833 PolarHBondContact O-N 3.14Å; N829-T833 PolarHBondContact O-OG1 3.4Å; F830-T833 PolarHBondContact O-OG1 2.95Å; T833-R835 PolarHBondContact O-N 3.1Å
834	C	57.7	Low	60.9	Low	50 Å²	50	86.2 Å²	86.2	34%	0.338	44%	0.438	S	S	.	.	H	α-helix	trans	-68.7	-14.3	174.4	-71.1	0	0	0	0	114.2	G812 L832 N838	G812-C834 PolarHBondContact N-SG 3.21Å; G812-C834 VanDerWaalsContact N-SG 3.39Å; L832-C834 VanDerWaalsContact C-N 3.35Å; L832-C834 PolarHBondContact O-N 3.22Å; C834-N838 PolarHBondContact O-ND2 3.02Å
835	R	68.2	Low	62.8	Low	153 Å²	153	80.1 Å²	80.1	58%	0.577	40%	0.399	S	S	*	.	H	α-helix	trans	-77.6	-40.9	178.7	-168.7	174.3	175.8	148.3	-2.1	112	L832 T833 N838 I839	L832-R835 VanDerWaalsContact O-CB 3.22Å; L832-R835 WeakPolarHBondContact O-CB 3.17Å; L832-R835 PolarHBondContact O-N 3.29Å; T833-R835 PolarHBondContact O-N 3.1Å; R835-N838 PolarHBondContact O-N 3.32Å; R835-I839 HydrophobicContact CG-CD1 3.7Å; R835-I839 HydrophobicContact CG-CG1 4.36Å; R835-I839 WeakPolarHBondContact O-CG1 3.45Å; R835-I839 PolarHBondContact O-N 3.17Å
836	T	73.2	Confident	64.7	Low	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-48.2	-175.2	-61.2	0	0	0	0	113	L805 F810 N838 I839 M840 E864 L868	L805-T836 HydrophobicContact CD2-CG2 4.44Å; F810-T836 HydrophobicContact CB-CG2 4.13Å; F810-T836 HydrophobicContact CD1-CG2 3.96Å; F810-T836 HydrophobicContact CG-CG2 4.29Å; T836-N838 VanDerWaalsContact C-N 3.3Å; T836-N838 PolarHBondContact O-N 2.85Å; T836-I839 PolarHBondContact O-N 3.35Å; T836-M840 HydrophobicContact CG2-CG 4.15Å; T836-M840 WeakPolarHBondContact O-CB 3.46Å; T836-M840 VanDerWaalsContact O-CG 3.27Å; T836-M840 WeakPolarHBondContact O-CG 3.27Å; T836-M840 PolarHBondContact O-N 2.89Å; T836-E864 WeakPolarHBondContact CB-OE2 3.34Å; T836-E864 PolarHBondContact OG1-OE2 3.25Å; T836-L868 HydrophobicContact CG2-CD2 4.14Å
837	V	76.9	Confident	66.6	Low	33 Å²	33	75.5 Å²	75.5	20%	0.2	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-35.7	176.7	155.6	0	0	0	0	112.6	L805 F810 R841	L805-V837 HydrophobicContact CB-CG2 3.55Å; L805-V837 HydrophobicContact CD1-CG2 4.3Å; F810-V837 WeakPolarHBondContact O-CG2 3.31Å; V837-R841 PolarHBondContact O-N 3.17Å
838	N	76.1	Confident	68.7	Low	106 Å²	106	70.7 Å²	70.7	57%	0.567	34%	0.344	S	S	*	.	H	α-helix	trans	-69.8	-41	177.7	-79.9	-49.4	0	0	0	112.5	C834 R835 T836 R841	C834-N838 PolarHBondContact O-ND2 3.02Å; R835-N838 PolarHBondContact O-N 3.32Å; T836-N838 VanDerWaalsContact C-N 3.3Å; T836-N838 PolarHBondContact O-N 2.85Å; N838-R841 WeakPolarHBondContact O-CB 3.46Å
839	I	81.9	Confident	70.6	Confident	56 Å²	56	63.8 Å²	63.8	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-72.8	-40.4	179.6	-68	179.7	0	0	0	111.6	R835 T836 R841 Y843 A859	R835-I839 HydrophobicContact CG-CD1 3.7Å; R835-I839 HydrophobicContact CG-CG1 4.36Å; R835-I839 WeakPolarHBondContact O-CG1 3.45Å; R835-I839 PolarHBondContact O-N 3.17Å; T836-I839 PolarHBondContact O-N 3.35Å; I839-R841 VanDerWaalsContact C-N 3.27Å; I839-R841 PolarHBondContact O-N 2.82Å; I839-Y843 WeakPolarHBondContact O-CE2 3.11Å; I839-A859 WeakPolarHBondContact CD1-O 3.3Å; I839-A859 HydrophobicContact CG2-CB 4.14Å
840	M	81.5	Confident	72.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-79.2	-6.1	-178.1	-62.5	-58.9	-61.4	0	0	113.9	L805 T836 D842 Y843 V848 M851 L856 L868	L805-M840 HydrophobicContact CD1-CB 3.45Å; L805-M840 VanDerWaalsContact CD1-CB 3.45Å; L805-M840 HydrophobicContact CD1-CG 4.04Å; T836-M840 HydrophobicContact CG2-CG 4.15Å; T836-M840 WeakPolarHBondContact O-CB 3.46Å; T836-M840 VanDerWaalsContact O-CG 3.27Å; T836-M840 WeakPolarHBondContact O-CG 3.27Å; T836-M840 PolarHBondContact O-N 2.89Å; M840-D842 PolarHBondContact O-N 2.92Å; M840-D842 VanDerWaalsContact O-N 3.1Å; M840-Y843 HydrophobicContact CE-CD1 4.31Å; M840-Y843 HydrophobicContact CE-CD2 4.4Å; M840-Y843 HydrophobicContact CE-CG 4.09Å; M840-Y843 PolarHBondContact O-N 3.43Å; M840-Y843 VanDerWaalsContact O-N 3.07Å; M840-Y843 HydrophobicContact SD-CD2 4.46Å; M840-V848 HydrophobicContact CE-CB 4.34Å; M840-V848 HydrophobicContact CE-CG1 3.99Å; M840-V848 HydrophobicContact CE-CG2 3.58Å; M840-M851 HydrophobicContact CE-SD 4.1Å; M840-L856 HydrophobicContact CE-CD2 4.26Å; M840-L856 HydrophobicContact SD-CD2 4.47Å; M840-L868 HydrophobicContact CE-CD2 4.3Å; M840-L868 HydrophobicContact CG-CD2 4.15Å; M840-L868 HydrophobicContact SD-CD2 4.24Å
841	R	77.1	Confident	74.7	Confident	164 Å²	164	58.4 Å²	58.4	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29	-177.4	-170.5	176.4	-177.2	-179.9	0.4	114.3	V837 N838 I839	V837-R841 PolarHBondContact O-N 3.17Å; N838-R841 WeakPolarHBondContact O-CB 3.46Å; I839-R841 VanDerWaalsContact C-N 3.27Å; I839-R841 PolarHBondContact O-N 2.82Å
842	D	80	Confident	76.8	Confident	104 Å²	104	57.2 Å²	57.2	56%	0.556	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	8.6	-178.3	-88	-58.8	0	0	0	115.1	K798 M840	K798-D842 WeakPolarHBondContact CE-O 3.49Å; K798-D842 PolarHBondContact NZ-O 3.29Å; K798-D842 IonicContact NZ-OD1 3.39Å; K798-D842 PolarHBondContact NZ-OD1 3.22Å; M840-D842 PolarHBondContact O-N 2.92Å; M840-D842 VanDerWaalsContact O-N 3.1Å
843	Y	85.6	Confident	78.7	Confident	53 Å²	53	58.5 Å²	58.5	21%	0.208	28%	0.284	C	S	.	.			trans	-105.9	136.4	179.7	-64.1	-113.5	0	0	0	110.5	V801 I839 M840 K847 V848 M851	V801-Y843 WeakPolarHBondContact CG2-O 3.38Å; I839-Y843 WeakPolarHBondContact O-CE2 3.11Å; M840-Y843 HydrophobicContact CE-CD1 4.31Å; M840-Y843 HydrophobicContact CE-CD2 4.4Å; M840-Y843 HydrophobicContact CE-CG 4.09Å; M840-Y843 PolarHBondContact O-N 3.43Å; M840-Y843 VanDerWaalsContact O-N 3.07Å; M840-Y843 HydrophobicContact SD-CD2 4.46Å; Y843-K847 HydrophobicContact CD1-CB 4.26Å; Y843-K847 HydrophobicContact CD1-CD 3.72Å; Y843-K847 HydrophobicContact CD1-CG 3.78Å; Y843-K847 HydrophobicContact CE1-CD 4.25Å; Y843-K847 HydrophobicContact CE1-CG 4.39Å; Y843-K847 HydrophobicContact CG-CD 4.3Å; Y843-V848 VanDerWaalsContact CB-CG2 3.46Å; Y843-V848 HydrophobicContact CG-CG2 4.41Å; Y843-M851 HydrophobicContact CD1-SD 3.67Å; Y843-M851 HydrophobicContact CE1-CE 4.06Å; Y843-M851 HydrophobicContact CE1-SD 3.43Å; Y843-M851 WeakPolarHBondContact CE1-SD 3.3Å
844	D	85.5	Confident	80.2	Confident	65 Å²	65	61.3 Å²	61.3	35%	0.348	30%	0.304	S	S	.	.			trans	-90.6	172.4	169.8	59.5	68.9	0	0	0	111.7	E846 K847 V848	D844-E846 VanDerWaalsContact C-N 3.33Å; D844-E846 PolarHBondContact O-N 3.48Å; D844-E846 PolarHBondContact OD1-N 3.31Å; D844-K847 PolarHBondContact O-N 3.45Å; D844-K847 VanDerWaalsContact O-N 3.17Å; D844-K847 PolarHBondContact OD1-N 3.43Å; D844-V848 WeakPolarHBondContact O-CG2 3.23Å; D844-V848 PolarHBondContact O-N 3.44Å
845	G	81.3	Confident	81.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-32.9	-177.4	0	0	0	0	0	115.1	S793 S796 L849	S793-G845 WeakPolarHBondContact O-CA 3.46Å; S796-G845 PolarHBondContact O-N 3.31Å; G845-L849 VanDerWaalsContact O-CB 3.23Å; G845-L849 WeakPolarHBondContact O-CB 3.37Å; G845-L849 WeakPolarHBondContact O-CD1 2.99Å; G845-L849 WeakPolarHBondContact O-CG 3.46Å; G845-L849 PolarHBondContact O-N 2.68Å; G845-L849 VanDerWaalsContact O-N 3.11Å
846	E	80.7	Confident	82.3	Confident	66 Å²	66	55.9 Å²	55.9	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-72.7	-40.1	174.7	-178.2	160.8	-147.7	0	0	110.8	R794 D844 L849 T850 K884	R794-E846 HydrophobicContact CG-CB 3.95Å; R794-E846 HydrophobicContact CG-CG 4.08Å; R794-E846 IonicContact CZ-OE1 2.68Å; R794-E846 IonicContact NE-OE1 2.7Å; R794-E846 PolarHBondContact NE-OE1 3.03Å; R794-E846 IonicContact NH2-OE1 3.74Å; R794-E846 PolarHBondContact NH2-OE1 3.11Å; D844-E846 VanDerWaalsContact C-N 3.33Å; D844-E846 PolarHBondContact O-N 3.48Å; D844-E846 PolarHBondContact OD1-N 3.31Å; E846-L849 PolarHBondContact O-N 3.09Å; E846-T850 HydrophobicContact CG-CG2 4.46Å; E846-T850 WeakPolarHBondContact O-CB 3.47Å; E846-T850 WeakPolarHBondContact O-CG2 3.47Å; E846-T850 PolarHBondContact O-N 3.06Å; E846-T850 PolarHBondContact O-OG1 2.97Å; E846-K884 IonicContact OE1-NZ 3.81Å; E846-K884 PolarHBondContact OE1-NZ 3.17Å
847	K	83.2	Confident	82.9	Confident	103 Å²	103	58.1 Å²	58.1	45%	0.448	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-44.8	178.4	-152.9	176.9	-176.9	-176.5	0	112.1	Y843 D844 T850 M851	Y843-K847 HydrophobicContact CD1-CB 4.26Å; Y843-K847 HydrophobicContact CD1-CD 3.72Å; Y843-K847 HydrophobicContact CD1-CG 3.78Å; Y843-K847 HydrophobicContact CE1-CD 4.25Å; Y843-K847 HydrophobicContact CE1-CG 4.39Å; Y843-K847 HydrophobicContact CG-CD 4.3Å; D844-K847 PolarHBondContact O-N 3.45Å; D844-K847 VanDerWaalsContact O-N 3.17Å; D844-K847 PolarHBondContact OD1-N 3.43Å; K847-T850 WeakPolarHBondContact CA-OG1 3.34Å; K847-T850 PolarHBondContact O-N 2.85Å; K847-T850 PolarHBondContact O-OG1 2.73Å; K847-T850 VanDerWaalsContact O-OG1 3.1Å; K847-M851 WeakPolarHBondContact O-CG 3.43Å; K847-M851 PolarHBondContact O-N 2.74Å
848	V	86.7	Confident	83.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-38.7	175.3	-177.4	0	0	0	0	111.6	V801 M840 Y843 D844 T850 L872	V801-V848 HydrophobicContact CG1-CG2 3.88Å; V801-V848 HydrophobicContact CG2-CG2 4.14Å; M840-V848 HydrophobicContact CE-CB 4.34Å; M840-V848 HydrophobicContact CE-CG1 3.99Å; M840-V848 HydrophobicContact CE-CG2 3.58Å; Y843-V848 VanDerWaalsContact CB-CG2 3.46Å; Y843-V848 HydrophobicContact CG-CG2 4.41Å; D844-V848 WeakPolarHBondContact O-CG2 3.23Å; D844-V848 PolarHBondContact O-N 3.44Å; V848-T850 VanDerWaalsContact C-N 3.31Å; V848-T850 PolarHBondContact O-N 3.27Å; V848-L872 HydrophobicContact CG1-CD1 3.76Å; V848-L872 HydrophobicContact CG1-CD2 3.7Å; V848-L872 HydrophobicContact CG1-CG 4.36Å
849	L	84.6	Confident	83.4	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-74.5	-16.2	177.5	-70.8	169.1	0	0	0	113.8	G845 E846 L872 K876 F881	G845-L849 VanDerWaalsContact O-CB 3.23Å; G845-L849 WeakPolarHBondContact O-CB 3.37Å; G845-L849 WeakPolarHBondContact O-CD1 2.99Å; G845-L849 WeakPolarHBondContact O-CG 3.46Å; G845-L849 PolarHBondContact O-N 2.68Å; G845-L849 VanDerWaalsContact O-N 3.11Å; E846-L849 PolarHBondContact O-N 3.09Å; L849-L872 HydrophobicContact CD2-CD2 4.05Å; L849-K876 HydrophobicContact CD2-CG 4.09Å; L849-K876 WeakPolarHBondContact O-CE 3.45Å; L849-K876 PolarHBondContact O-NZ 3.44Å; L849-F881 HydrophobicContact CB-CD2 4.16Å; L849-F881 HydrophobicContact CB-CE1 4.34Å; L849-F881 HydrophobicContact CB-CE2 3.64Å; L849-F881 HydrophobicContact CB-CZ 3.74Å; L849-F881 HydrophobicContact CD1-CD2 4.01Å; L849-F881 HydrophobicContact CD1-CE2 4.05Å; L849-F881 HydrophobicContact CG-CE2 4.44Å; L849-F881 WeakPolarHBondContact O-CE1 3.43Å
850	T	83.8	Confident	83.3	Confident	74 Å²	74	57.7 Å²	57.7	45%	0.454	29%	0.286	S	S	.	.	H	α-helix	trans	-93.1	-19.4	176.3	44.7	0	0	0	0	114.4	E846 K847 V848 F881	E846-T850 HydrophobicContact CG-CG2 4.46Å; E846-T850 WeakPolarHBondContact O-CB 3.47Å; E846-T850 WeakPolarHBondContact O-CG2 3.47Å; E846-T850 PolarHBondContact O-N 3.06Å; E846-T850 PolarHBondContact O-OG1 2.97Å; K847-T850 WeakPolarHBondContact CA-OG1 3.34Å; K847-T850 PolarHBondContact O-N 2.85Å; K847-T850 PolarHBondContact O-OG1 2.73Å; K847-T850 VanDerWaalsContact O-OG1 3.1Å; V848-T850 VanDerWaalsContact C-N 3.31Å; V848-T850 PolarHBondContact O-N 3.27Å; T850-F881 HydrophobicContact CG2-CZ 4.09Å
851	M	82.6	Confident	83.1	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.069	30%	0.302	C	S	.	.			trans	-59.2	141.2	-179.8	-74.9	173.7	80.1	0	0	114.1	M840 Y843 K847 Q855 L856 A859	M840-M851 HydrophobicContact CE-SD 4.1Å; Y843-M851 HydrophobicContact CD1-SD 3.67Å; Y843-M851 HydrophobicContact CE1-CE 4.06Å; Y843-M851 HydrophobicContact CE1-SD 3.43Å; Y843-M851 WeakPolarHBondContact CE1-SD 3.3Å; K847-M851 WeakPolarHBondContact O-CG 3.43Å; K847-M851 PolarHBondContact O-N 2.74Å; M851-Q855 HydrophobicContact CB-CB 4.45Å; M851-Q855 HydrophobicContact CE-CB 3.81Å; M851-Q855 WeakPolarHBondContact CE-O 3.22Å; M851-L856 HydrophobicContact CB-CD1 4.36Å; M851-L856 HydrophobicContact CB-CD2 4.14Å; M851-L856 HydrophobicContact CB-CG 3.98Å; M851-L856 HydrophobicContact CE-CD2 3.66Å; M851-L856 HydrophobicContact CE-CG 4.07Å; M851-L856 HydrophobicContact SD-CD2 3.81Å; M851-A859 HydrophobicContact CE-CB 4.3Å
852	T	86.3	Confident	83	Confident	64 Å²	64	61.2 Å²	61.2	39%	0.393	31%	0.31	S	S	.	.			trans	-79.9	164.9	172.6	73.2	0	0	0	0	111.4	S854 Q855 L856	T852-S854 VanDerWaalsContact C-N 3.27Å; T852-S854 PolarHBondContact O-N 3.01Å; T852-S854 PolarHBondContact OG1-N 3.42Å; T852-Q855 PolarHBondContact O-N 2.89Å; T852-Q855 WeakPolarHBondContact OG1-CG 3.27Å; T852-Q855 PolarHBondContact OG1-N 3.39Å; T852-Q855 PolarHBondContact OG1-OE1 2.65Å; T852-L856 PolarHBondContact O-N 3.45Å
853	K	86.8	Confident	82.6	Confident	98 Å²	98	60 Å²	60	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-55.1	-43.7	173.5	-176.6	-176.1	166.2	-173.9	0	111.8	Q855 L856 E857 Y869	K853-Q855 PolarHBondContact O-N 2.92Å; K853-L856 PolarHBondContact O-N 2.68Å; K853-E857 WeakPolarHBondContact CE-OE1 3.35Å; K853-E857 WeakPolarHBondContact CE-OE2 3.17Å; K853-E857 HydrophobicContact CG-CG 4.38Å; K853-E857 IonicContact NZ-OE1 3.07Å; K853-E857 PolarHBondContact NZ-OE1 3Å; K853-E857 PolarHBondContact O-N 2.86Å; K853-Y869 HydrophobicContact CB-CD1 4.11Å; K853-Y869 HydrophobicContact CB-CD2 3.82Å; K853-Y869 HydrophobicContact CB-CE1 4.17Å; K853-Y869 HydrophobicContact CB-CE2 3.88Å; K853-Y869 HydrophobicContact CB-CG 3.94Å; K853-Y869 HydrophobicContact CD-CD1 4.33Å; K853-Y869 HydrophobicContact CG-CD1 4.1Å; K853-Y869 HydrophobicContact CG-CD2 4.46Å; K853-Y869 HydrophobicContact CG-CE1 4.49Å; K853-Y869 HydrophobicContact CG-CG 4.09Å
854	S	83.7	Confident	82.1	Confident	81 Å²	81	58.1 Å²	58.1	57%	0.566	31%	0.307	S	S	*	.	H	α-helix	trans	-60.8	-46.7	-178.9	-161	0	0	0	0	111.6	T852 L856 E857 E858	T852-S854 VanDerWaalsContact C-N 3.27Å; T852-S854 PolarHBondContact O-N 3.01Å; T852-S854 PolarHBondContact OG1-N 3.42Å; S854-L856 VanDerWaalsContact C-N 3.28Å; S854-L856 PolarHBondContact O-N 3.22Å; S854-E857 PolarHBondContact O-N 3.27Å; S854-E858 VanDerWaalsContact O-CB 3.25Å; S854-E858 WeakPolarHBondContact O-CB 3.34Å; S854-E858 PolarHBondContact O-N 3.33Å
855	Q	85.2	Confident	82	Confident	88 Å²	88	55 Å²	55	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-31.2	179.9	-69.5	164.5	-19.8	0	0	112.7	M851 T852 K853 A859	M851-Q855 HydrophobicContact CB-CB 4.45Å; M851-Q855 HydrophobicContact CE-CB 3.81Å; M851-Q855 WeakPolarHBondContact CE-O 3.22Å; T852-Q855 PolarHBondContact O-N 2.89Å; T852-Q855 WeakPolarHBondContact OG1-CG 3.27Å; T852-Q855 PolarHBondContact OG1-N 3.39Å; T852-Q855 PolarHBondContact OG1-OE1 2.65Å; K853-Q855 PolarHBondContact O-N 2.92Å; Q855-A859 VanDerWaalsContact O-CB 3.22Å; Q855-A859 WeakPolarHBondContact O-CB 3.43Å; Q855-A859 PolarHBondContact O-N 3Å
856	L	85.2	Confident	82	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-77.4	-38.9	175.5	-68.2	166	0	0	0	112.1	M840 M851 T852 K853 S854 E858 C860 G865 L868 Y869 L872	M840-L856 HydrophobicContact CE-CD2 4.26Å; M840-L856 HydrophobicContact SD-CD2 4.47Å; M851-L856 HydrophobicContact CB-CD1 4.36Å; M851-L856 HydrophobicContact CB-CD2 4.14Å; M851-L856 HydrophobicContact CB-CG 3.98Å; M851-L856 HydrophobicContact CE-CD2 3.66Å; M851-L856 HydrophobicContact CE-CG 4.07Å; M851-L856 HydrophobicContact SD-CD2 3.81Å; T852-L856 PolarHBondContact O-N 3.45Å; K853-L856 PolarHBondContact O-N 2.68Å; S854-L856 VanDerWaalsContact C-N 3.28Å; S854-L856 PolarHBondContact O-N 3.22Å; L856-E858 VanDerWaalsContact C-N 3.33Å; L856-C860 WeakPolarHBondContact O-CB 3.46Å; L856-C860 PolarHBondContact O-N 3.15Å; L856-G865 VanDerWaalsContact O-CA 3.27Å; L856-G865 WeakPolarHBondContact O-CA 3.27Å; L856-L868 HydrophobicContact CD2-CD2 3.89Å; L856-L868 HydrophobicContact CD2-CG 4.21Å; L856-Y869 HydrophobicContact CD1-CD2 3.98Å; L856-Y869 HydrophobicContact CD1-CG 4.44Å; L856-L872 HydrophobicContact CD1-CD1 3.8Å; L856-L872 HydrophobicContact CD2-CD1 4.46Å
857	E	87.2	Confident	82.3	Confident	48 Å²	48	58.8 Å²	58.8	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-31.8	174	-71.4	-173.5	159	0	0	112.3	K853 S854 G861 R862	K853-E857 WeakPolarHBondContact CE-OE1 3.35Å; K853-E857 WeakPolarHBondContact CE-OE2 3.17Å; K853-E857 HydrophobicContact CG-CG 4.38Å; K853-E857 IonicContact NZ-OE1 3.07Å; K853-E857 PolarHBondContact NZ-OE1 3Å; K853-E857 PolarHBondContact O-N 2.86Å; S854-E857 PolarHBondContact O-N 3.27Å; E857-G861 CarbonylContact O-C 3.17Å; E857-G861 WeakPolarHBondContact O-CA 3.31Å; E857-G861 PolarHBondContact O-N 3.26Å; E857-R862 PolarHBondContact O-N 3.01Å
858	E	83.1	Confident	82.5	Confident	159 Å²	159	53.9 Å²	53.9	74%	0.743	29%	0.285	S	S	*	.	H	α-helix	trans	-69.9	-49.8	172.1	-177.3	179.2	-169	0	0	111.7	S854 L856	S854-E858 VanDerWaalsContact O-CB 3.25Å; S854-E858 WeakPolarHBondContact O-CB 3.34Å; S854-E858 PolarHBondContact O-N 3.33Å; L856-E858 VanDerWaalsContact C-N 3.33Å
859	A	79.6	Confident	82.6	Confident	24 Å²	24	57.3 Å²	57.3	20%	0.198	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-46.8	-178.5	0	0	0	0	0	113.4	I839 M851 Q855	I839-A859 WeakPolarHBondContact CD1-O 3.3Å; I839-A859 HydrophobicContact CG2-CB 4.14Å; M851-A859 HydrophobicContact CE-CB 4.3Å; Q855-A859 VanDerWaalsContact O-CB 3.22Å; Q855-A859 WeakPolarHBondContact O-CB 3.43Å; Q855-A859 PolarHBondContact O-N 3Å
860	C	79.6	Confident	82.6	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-102.1	-8.5	-171.3	-57.8	0	0	0	0	113.6	L856 E864	L856-C860 WeakPolarHBondContact O-CB 3.46Å; L856-C860 PolarHBondContact O-N 3.15Å; C860-E864 HydrophobicContact CB-CB 4.02Å
861	G	78.3	Confident	82.6	Confident	33 Å²	33	59.7 Å²	59.7	34%	0.34	31%	0.312	S	S	.	.			trans	85.7	152.4	-168.5	0	0	0	0	0	112.5	E857 A863 E864 G865	E857-G861 CarbonylContact O-C 3.17Å; E857-G861 WeakPolarHBondContact O-CA 3.31Å; E857-G861 PolarHBondContact O-N 3.26Å; G861-A863 VanDerWaalsContact C-N 3.32Å; G861-A863 PolarHBondContact O-N 3.36Å; G861-A863 VanDerWaalsContact O-N 3.11Å; G861-E864 PolarHBondContact O-N 3.03Å; G861-G865 PolarHBondContact O-N 3.26Å
862	R	74	Confident	82.7	Confident	206 Å²	206	59 Å²	59	78%	0.777	31%	0.309	S	S	*	.	H	α-helix	trans	-50.6	-41.9	-167.3	-151.1	-177.7	-151.4	179.5	9.6	115.3	E857 G866	E857-R862 PolarHBondContact O-N 3.01Å; R862-G866 PolarHBondContact O-N 3.37Å
863	A	71.6	Confident	82.5	Confident	77 Å²	77	60.7 Å²	60.7	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-76.3	-52.9	-177.5	0	0	0	0	0	112.7	G861 R867	G861-A863 VanDerWaalsContact C-N 3.32Å; G861-A863 PolarHBondContact O-N 3.36Å; G861-A863 VanDerWaalsContact O-N 3.11Å; A863-R867 VanDerWaalsContact O-CB 3.3Å; A863-R867 WeakPolarHBondContact O-CB 3.46Å; A863-R867 PolarHBondContact O-N 3.33Å
864	E	74.8	Confident	82.1	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.065	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-44	179.5	-78.3	-78.6	110.4	0	0	111.4	F810 L832 T836 C860 G861 R867 L868	F810-E864 WeakPolarHBondContact CD1-OE2 3.47Å; L832-E864 HydrophobicContact CB-CG 4.43Å; T836-E864 WeakPolarHBondContact CB-OE2 3.34Å; T836-E864 PolarHBondContact OG1-OE2 3.25Å; C860-E864 HydrophobicContact CB-CB 4.02Å; G861-E864 PolarHBondContact O-N 3.03Å; E864-R867 WeakPolarHBondContact O-CB 3.49Å; E864-R867 PolarHBondContact O-N 3.37Å; E864-R867 IonicContact OE1-NH1 2.8Å; E864-L868 VanDerWaalsContact O-CB 3.31Å; E864-L868 WeakPolarHBondContact O-CB 3.28Å; E864-L868 PolarHBondContact O-N 2.89Å
865	G	83.1	Confident	81.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-43.5	177	0	0	0	0	0	113.2	L856 G861 L868 Y869	L856-G865 VanDerWaalsContact O-CA 3.27Å; L856-G865 WeakPolarHBondContact O-CA 3.27Å; G861-G865 PolarHBondContact O-N 3.26Å; G865-L868 PolarHBondContact O-N 3.22Å; G865-Y869 WeakPolarHBondContact O-CB 3.45Å; G865-Y869 PolarHBondContact O-N 2.93Å
866	G	82.1	Confident	81.4	Confident	16 Å²	16	57.3 Å²	57.3	17%	0.165	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-37.8	173.2	0	0	0	0	0	113.3	R862 S870	R862-G866 PolarHBondContact O-N 3.37Å; G866-S870 PolarHBondContact O-N 2.82Å; G866-S870 PolarHBondContact O-OG 3.1Å; G866-S870 VanDerWaalsContact O-OG 3.09Å
867	R	86.3	Confident	80.6	Confident	129 Å²	129	61.4 Å²	61.4	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-40.1	176.4	-168.1	178.9	-173.1	-138.5	-0	112.1	F810 A863 E864 S870 Q871	F810-R867 HydrophobicContact CE1-CB 4.36Å; F810-R867 HydrophobicContact CE1-CG 4.23Å; F810-R867 HydrophobicContact CZ-CG 4.33Å; A863-R867 VanDerWaalsContact O-CB 3.3Å; A863-R867 WeakPolarHBondContact O-CB 3.46Å; A863-R867 PolarHBondContact O-N 3.33Å; E864-R867 WeakPolarHBondContact O-CB 3.49Å; E864-R867 PolarHBondContact O-N 3.37Å; E864-R867 IonicContact OE1-NH1 2.8Å; R867-S870 PolarHBondContact O-N 3.07Å; R867-Q871 PolarHBondContact O-N 3.1Å
868	L	87.9	Confident	79.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67.6	-44.7	174.3	179.9	51.3	0	0	0	111.4	W804 L805 F810 T836 M840 L856 E864 G865 S870 Q871 L872	W804-L868 HydrophobicContact CH2-CD1 4.37Å; W804-L868 HydrophobicContact CZ3-CD1 3.9Å; L805-L868 HydrophobicContact CD2-CD1 3.73Å; L805-L868 HydrophobicContact CD2-CD2 4.38Å; F810-L868 HydrophobicContact CE1-CB 3.97Å; F810-L868 HydrophobicContact CE2-CD1 4.26Å; F810-L868 HydrophobicContact CZ-CB 4.03Å; F810-L868 HydrophobicContact CZ-CD1 4.14Å; T836-L868 HydrophobicContact CG2-CD2 4.14Å; M840-L868 HydrophobicContact CE-CD2 4.3Å; M840-L868 HydrophobicContact CG-CD2 4.15Å; M840-L868 HydrophobicContact SD-CD2 4.24Å; L856-L868 HydrophobicContact CD2-CD2 3.89Å; L856-L868 HydrophobicContact CD2-CG 4.21Å; E864-L868 VanDerWaalsContact O-CB 3.31Å; E864-L868 WeakPolarHBondContact O-CB 3.28Å; E864-L868 PolarHBondContact O-N 2.89Å; G865-L868 PolarHBondContact O-N 3.22Å; L868-S870 VanDerWaalsContact C-N 3.3Å; L868-S870 PolarHBondContact O-N 3.32Å; L868-Q871 PolarHBondContact O-N 2.61Å; L868-Q871 VanDerWaalsContact O-N 3.17Å; L868-L872 HydrophobicContact CD1-CD1 4.03Å; L868-L872 HydrophobicContact CD1-CG 4.18Å; L868-L872 HydrophobicContact CG-CD1 3.99Å; L868-L872 WeakPolarHBondContact O-CG 3.49Å; L868-L872 PolarHBondContact O-N 3.34Å
869	Y	88	Confident	78.6	Confident	75 Å²	75	57.3 Å²	57.3	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-41.2	173.8	-178.2	-100.7	0	0	0	112.2	K853 L856 G865 L872 L873	K853-Y869 HydrophobicContact CB-CD1 4.11Å; K853-Y869 HydrophobicContact CB-CD2 3.82Å; K853-Y869 HydrophobicContact CB-CE1 4.17Å; K853-Y869 HydrophobicContact CB-CE2 3.88Å; K853-Y869 HydrophobicContact CB-CG 3.94Å; K853-Y869 HydrophobicContact CD-CD1 4.33Å; K853-Y869 HydrophobicContact CG-CD1 4.1Å; K853-Y869 HydrophobicContact CG-CD2 4.46Å; K853-Y869 HydrophobicContact CG-CE1 4.49Å; K853-Y869 HydrophobicContact CG-CG 4.09Å; L856-Y869 HydrophobicContact CD1-CD2 3.98Å; L856-Y869 HydrophobicContact CD1-CG 4.44Å; G865-Y869 WeakPolarHBondContact O-CB 3.45Å; G865-Y869 PolarHBondContact O-N 2.93Å; Y869-L872 PolarHBondContact O-N 3.03Å; Y869-L873 WeakPolarHBondContact O-CB 3.31Å; Y869-L873 PolarHBondContact O-N 2.86Å
870	S	84.5	Confident	77.6	Confident	68 Å²	68	63 Å²	63	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-42.9	174.9	-64.6	0	0	0	0	113.1	G866 R867 L868 L872 L873 L874	G866-S870 PolarHBondContact O-N 2.82Å; G866-S870 PolarHBondContact O-OG 3.1Å; G866-S870 VanDerWaalsContact O-OG 3.09Å; R867-S870 PolarHBondContact O-N 3.07Å; L868-S870 VanDerWaalsContact C-N 3.3Å; L868-S870 PolarHBondContact O-N 3.32Å; S870-L872 VanDerWaalsContact C-N 3.34Å; S870-L873 PolarHBondContact O-N 3.22Å; S870-L874 WeakPolarHBondContact O-CG 3.36Å; S870-L874 PolarHBondContact O-N 3.28Å
871	Q	84	Confident	76.2	Confident	56 Å²	56	64.4 Å²	64.4	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-37.9	174.2	-72.7	-76.5	-12.8	0	0	111.9	W804 F810 R867 L868 R875	W804-Q871 HydrophobicContact CH2-CB 3.93Å; W804-Q871 HydrophobicContact CZ2-CB 4.44Å; F810-Q871 HydrophobicContact CE2-CG 4.26Å; F810-Q871 HydrophobicContact CZ-CG 4.24Å; R867-Q871 PolarHBondContact O-N 3.1Å; L868-Q871 PolarHBondContact O-N 2.61Å; L868-Q871 VanDerWaalsContact O-N 3.17Å; Q871-R875 WeakPolarHBondContact O-CB 3.31Å; Q871-R875 PolarHBondContact O-N 3.03Å
872	L	86.3	Confident	75.1	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-35.5	177.5	-68.5	167.3	0	0	0	112.2	L792 W804 V848 L849 L856 L868 Y869 S870 R875 K876	L792-L872 HydrophobicContact CD2-CD2 3.83Å; W804-L872 HydrophobicContact CH2-CD2 4.16Å; V848-L872 HydrophobicContact CG1-CD1 3.76Å; V848-L872 HydrophobicContact CG1-CD2 3.7Å; V848-L872 HydrophobicContact CG1-CG 4.36Å; L849-L872 HydrophobicContact CD2-CD2 4.05Å; L856-L872 HydrophobicContact CD1-CD1 3.8Å; L856-L872 HydrophobicContact CD2-CD1 4.46Å; L868-L872 HydrophobicContact CD1-CD1 4.03Å; L868-L872 HydrophobicContact CD1-CG 4.18Å; L868-L872 HydrophobicContact CG-CD1 3.99Å; L868-L872 WeakPolarHBondContact O-CG 3.49Å; L868-L872 PolarHBondContact O-N 3.34Å; Y869-L872 PolarHBondContact O-N 3.03Å; S870-L872 VanDerWaalsContact C-N 3.34Å; L872-R875 PolarHBondContact O-N 3.21Å; L872-R875 VanDerWaalsContact O-N 3.17Å; L872-K876 VanDerWaalsContact O-CG 3.27Å; L872-K876 WeakPolarHBondContact O-CG 3.31Å; L872-K876 PolarHBondContact O-N 3.39Å
873	L	80.6	Confident	74	Confident	98 Å²	98	60.6 Å²	60.6	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-46.4	174.4	-174.4	64.2	0	0	0	111.4	Y869 S870 R875 K876 S877	Y869-L873 WeakPolarHBondContact O-CB 3.31Å; Y869-L873 PolarHBondContact O-N 2.86Å; S870-L873 PolarHBondContact O-N 3.22Å; L873-R875 PolarHBondContact O-N 3.34Å; L873-K876 PolarHBondContact O-N 2.93Å; L873-S877 PolarHBondContact O-N 3.23Å; L873-S877 PolarHBondContact O-OG 3.32Å
874	L	79	Confident	72.9	Confident	117 Å²	117	65.1 Å²	65.1	61%	0.613	35%	0.35	S	S	*	.	H	α-helix	trans	-61.6	-31.9	172.9	-68.2	171.1	0	0	0	112.4	S870 S877 A878	S870-L874 WeakPolarHBondContact O-CG 3.36Å; S870-L874 PolarHBondContact O-N 3.28Å; L874-S877 PolarHBondContact O-OG 3.34Å; L874-S877 VanDerWaalsContact O-OG 3.07Å; L874-A878 WeakPolarHBondContact O-CB 3.48Å; L874-A878 PolarHBondContact O-N 3.45Å
875	R	78.9	Confident	71.5	Confident	32 Å²	32	66.1 Å²	66.1	12%	0.121	36%	0.359	C	S	.	.	H	α-helix	trans	-77.6	-35.8	177.2	-170.6	55.6	179.6	160.4	5.6	113.1	E791 L792 Q871 L872 L873 A878 T879	E791-R875 VanDerWaalsContact C-NH2 3.33Å; E791-R875 PolarHBondContact O-NH2 2.88Å; E791-R875 IonicContact OE1-NH1 2.75Å; E791-R875 IonicContact OE2-CZ 2.7Å; E791-R875 IonicContact OE2-NH1 2.81Å; E791-R875 PolarHBondContact OE2-NH1 3.32Å; E791-R875 IonicContact OE2-NH2 2.65Å; E791-R875 PolarHBondContact OE2-NH2 3.36Å; L792-R875 VanDerWaalsContact O-CZ 3.26Å; L792-R875 PolarHBondContact O-NE 3.34Å; L792-R875 PolarHBondContact O-NH2 3.02Å; Q871-R875 WeakPolarHBondContact O-CB 3.31Å; Q871-R875 PolarHBondContact O-N 3.03Å; L872-R875 PolarHBondContact O-N 3.21Å; L872-R875 VanDerWaalsContact O-N 3.17Å; L873-R875 PolarHBondContact O-N 3.34Å; R875-A878 PolarHBondContact O-N 3.03Å; R875-T879 HydrophobicContact CG-CG2 4.42Å; R875-T879 WeakPolarHBondContact O-CB 3.48Å; R875-T879 WeakPolarHBondContact O-CG2 3.22Å; R875-T879 PolarHBondContact O-N 2.84Å; R875-T879 VanDerWaalsContact O-N 3.11Å; R875-T879 PolarHBondContact O-OG1 3.41Å
876	K	75.9	Confident	70.2	Confident	48 Å²	48	71.6 Å²	71.6	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-64	-41.8	175.9	-72.8	175.7	-163.7	-164.7	0	111.7	L849 L872 L873 T879 N880 F881	L849-K876 HydrophobicContact CD2-CG 4.09Å; L849-K876 WeakPolarHBondContact O-CE 3.45Å; L849-K876 PolarHBondContact O-NZ 3.44Å; L872-K876 VanDerWaalsContact O-CG 3.27Å; L872-K876 WeakPolarHBondContact O-CG 3.31Å; L872-K876 PolarHBondContact O-N 3.39Å; L873-K876 PolarHBondContact O-N 2.93Å; K876-T879 PolarHBondContact O-N 2.86Å; K876-N880 PolarHBondContact O-N 3.33Å; K876-F881 HydrophobicContact CB-CB 4.05Å; K876-F881 HydrophobicContact CD-CD1 4.12Å; K876-F881 HydrophobicContact CG-CB 4.01Å; K876-F881 HydrophobicContact CG-CD1 3.98Å; K876-F881 HydrophobicContact CG-CG 4.16Å; K876-F881 PolarHBondContact O-N 2.95Å; K876-F881 VanDerWaalsContact O-N 3.14Å
877	S	68.6	Low	69.1	Low	86 Å²	86	76.2 Å²	76.2	60%	0.601	41%	0.409	S	S	*	.	H	α-helix	trans	-67.6	-37.2	174.5	59.6	0	0	0	0	112.7	L873 L874 T879	L873-S877 PolarHBondContact O-N 3.23Å; L873-S877 PolarHBondContact O-OG 3.32Å; L874-S877 PolarHBondContact O-OG 3.34Å; L874-S877 VanDerWaalsContact O-OG 3.07Å; S877-T879 VanDerWaalsContact C-N 3.29Å; S877-T879 PolarHBondContact O-N 3.04Å
878	A	63.7	Low	67.7	Low	70 Å²	70	75.4 Å²	75.4	58%	0.579	41%	0.411	S	S	*	.	H	α-helix	trans	-70.5	-18.7	175.9	0	0	0	0	0	114.6	L874 R875	L874-A878 WeakPolarHBondContact O-CB 3.48Å; L874-A878 PolarHBondContact O-N 3.45Å; R875-A878 PolarHBondContact O-N 3.03Å
879	T	63.9	Low	66	Low	50 Å²	50	80 Å²	80	31%	0.307	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	4.6	-174	51.9	0	0	0	0	114.3	R875 K876 S877 F881	R875-T879 HydrophobicContact CG-CG2 4.42Å; R875-T879 WeakPolarHBondContact O-CB 3.48Å; R875-T879 WeakPolarHBondContact O-CG2 3.22Å; R875-T879 PolarHBondContact O-N 2.84Å; R875-T879 VanDerWaalsContact O-N 3.11Å; R875-T879 PolarHBondContact O-OG1 3.41Å; K876-T879 PolarHBondContact O-N 2.86Å; S877-T879 VanDerWaalsContact C-N 3.29Å; S877-T879 PolarHBondContact O-N 3.04Å; T879-F881 PolarHBondContact O-N 2.83Å
880	N	58	Low	64.9	Low	144 Å²	144	81.1 Å²	81.1	77%	0.77	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	44.4	-171	-69	-31.9	0	0	0	112.1	K876 V882	K876-N880 PolarHBondContact O-N 3.33Å; N880-V882 PolarHBondContact O-N 2.72Å
881	F	51.9	Low	64.3	Low	32 Å²	32	83.2 Å²	83.2	14%	0.14	45%	0.451	C	S	.	.			trans	-71.8	101.1	-176.8	-177	-91.8	0	0	0	111.4	R794 L849 T850 K876 T879	R794-F881 HydrophobicContact CG-CE2 4.45Å; L849-F881 HydrophobicContact CB-CD2 4.16Å; L849-F881 HydrophobicContact CB-CE1 4.34Å; L849-F881 HydrophobicContact CB-CE2 3.64Å; L849-F881 HydrophobicContact CB-CZ 3.74Å; L849-F881 HydrophobicContact CD1-CD2 4.01Å; L849-F881 HydrophobicContact CD1-CE2 4.05Å; L849-F881 HydrophobicContact CG-CE2 4.44Å; L849-F881 WeakPolarHBondContact O-CE1 3.43Å; T850-F881 HydrophobicContact CG2-CZ 4.09Å; K876-F881 HydrophobicContact CB-CB 4.05Å; K876-F881 HydrophobicContact CD-CD1 4.12Å; K876-F881 HydrophobicContact CG-CB 4.01Å; K876-F881 HydrophobicContact CG-CD1 3.98Å; K876-F881 HydrophobicContact CG-CG 4.16Å; K876-F881 PolarHBondContact O-N 2.95Å; K876-F881 VanDerWaalsContact O-N 3.14Å; T879-F881 PolarHBondContact O-N 2.83Å
882	V	53.8	Low	63.4	Low	99 Å²	99	84.7 Å²	84.7	60%	0.6	46%	0.46	S	S	*	.			trans	-90.2	122.3	172.4	-174	0	0	0	0	109.9	R794 N880	R794-V882 PolarHBondContact NH1-O 2.93Å; N880-V882 PolarHBondContact O-N 2.72Å
883	P	51.3	Low	62.7	Low	61 Å²	61	89.1 Å²	89.1	40%	0.396	48%	0.484	S	S	.	.			trans	-69.9	155.4	173.2	30.8	-34.6	0	0	0	111.2	S885	P883-S885 PolarHBondContact O-N 3.04Å
884	K	48.5	Very low	62.3	Low	171 Å²	171	87.2 Å²	87.2	74%	0.743	48%	0.482	S	S	*	.	S	Bend	trans	-82.9	52.5	-179	-72.8	172.5	176.1	159	0	112.4	E846	E846-K884 IonicContact OE1-NZ 3.81Å; E846-K884 PolarHBondContact OE1-NZ 3.17Å
885	S	45.9	Very low	62.2	Low	36 Å²	36	84.4 Å²	84.4	25%	0.252	48%	0.475	S	S	.	.			trans	-165.6	114.9	165.5	-179.7	0	0	0	0	110.5	P883 D887 E888	P883-S885 PolarHBondContact O-N 3.04Å; S885-D887 VanDerWaalsContact C-N 3.26Å; S885-D887 WeakPolarHBondContact OG-CB 3.17Å; S885-D887 PolarHBondContact OG-N 3.26Å; S885-D887 PolarHBondContact OG-OD2 3.09Å; S885-E888 PolarHBondContact OG-N 2.97Å
886	D	54.7	Low	61.9	Low	114 Å²	114	91.3 Å²	91.3	61%	0.61	50%	0.501	S	S	*	.	H	α-helix	trans	-71.9	-25.2	165.6	-75.7	-44.5	0	0	0	111	L889 N890	D886-L889 PolarHBondContact O-N 3.49Å; D886-N890 WeakPolarHBondContact O-CB 3.47Å; D886-N890 PolarHBondContact O-N 2.86Å; D886-N890 PolarHBondContact O-ND2 3.37Å
887	D	59.3	Low	61.9	Low	114 Å²	114	95.9 Å²	95.9	61%	0.61	52%	0.521	S	S	*	.	H	α-helix	trans	-64.9	-41.2	178.7	-43	-70.2	0	0	0	111.8	S885 N890 N891	S885-D887 VanDerWaalsContact C-N 3.26Å; S885-D887 WeakPolarHBondContact OG-CB 3.17Å; S885-D887 PolarHBondContact OG-N 3.26Å; S885-D887 PolarHBondContact OG-OD2 3.09Å; D887-N890 PolarHBondContact O-N 3.25Å; D887-N891 VanDerWaalsContact O-CB 3.31Å; D887-N891 WeakPolarHBondContact O-CB 3.48Å; D887-N891 VanDerWaalsContact O-CG 3.23Å; D887-N891 PolarHBondContact O-N 3.15Å; D887-N891 PolarHBondContact O-ND2 2.92Å
888	E	58.1	Low	62.2	Low	112 Å²	112	95.1 Å²	95.1	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-41.8	178.3	-168.8	174.7	-135.8	0	0	111.4	S885 N891 I892	S885-E888 PolarHBondContact OG-N 2.97Å; E888-N891 PolarHBondContact O-N 3.11Å; E888-I892 HydrophobicContact CG-CD1 4.21Å; E888-I892 WeakPolarHBondContact O-CD1 3.46Å; E888-I892 VanDerWaalsContact O-CG1 3.28Å; E888-I892 WeakPolarHBondContact O-CG1 3.4Å; E888-I892 PolarHBondContact O-N 2.96Å
889	L	51.4	Low	62.6	Low	97 Å²	97	94.7 Å²	94.7	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-65.8	-43.5	175.2	-173.8	65.1	0	0	0	111.6	D886 I892 L893	D886-L889 PolarHBondContact O-N 3.49Å; L889-I892 PolarHBondContact O-N 3.02Å; L889-L893 HydrophobicContact CG-CD1 4.15Å; L889-L893 WeakPolarHBondContact O-CB 3.38Å; L889-L893 VanDerWaalsContact O-CG 3.31Å; L889-L893 WeakPolarHBondContact O-CG 3.22Å; L889-L893 PolarHBondContact O-N 3.03Å
890	N	65.4	Low	62.9	Low	98 Å²	98	96.3 Å²	96.3	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176.4	-79.6	-54.6	0	0	0	112.1	D886 D887 L893 A894	D886-N890 WeakPolarHBondContact O-CB 3.47Å; D886-N890 PolarHBondContact O-N 2.86Å; D886-N890 PolarHBondContact O-ND2 3.37Å; D887-N890 PolarHBondContact O-N 3.25Å; N890-L893 PolarHBondContact O-N 3.27Å; N890-A894 VanDerWaalsContact O-CB 3.31Å; N890-A894 WeakPolarHBondContact O-CB 3.05Å; N890-A894 PolarHBondContact O-N 3.19Å
891	N	71	Confident	63.4	Low	111 Å²	111	93.4 Å²	93.4	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-42	175	-77.3	-38.3	0	0	0	112	D887 E888 A894 A895	D887-N891 VanDerWaalsContact O-CB 3.31Å; D887-N891 WeakPolarHBondContact O-CB 3.48Å; D887-N891 VanDerWaalsContact O-CG 3.23Å; D887-N891 PolarHBondContact O-N 3.15Å; D887-N891 PolarHBondContact O-ND2 2.92Å; E888-N891 PolarHBondContact O-N 3.11Å; N891-A894 PolarHBondContact O-N 3.25Å; N891-A895 WeakPolarHBondContact O-CB 3.46Å; N891-A895 PolarHBondContact O-N 3.49Å
892	I	65.7	Low	64.2	Low	87 Å²	87	96.3 Å²	96.3	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-38.9	176	-69.5	165.8	0	0	0	111.5	E888 L889 R896	E888-I892 HydrophobicContact CG-CD1 4.21Å; E888-I892 WeakPolarHBondContact O-CD1 3.46Å; E888-I892 VanDerWaalsContact O-CG1 3.28Å; E888-I892 WeakPolarHBondContact O-CG1 3.4Å; E888-I892 PolarHBondContact O-N 2.96Å; L889-I892 PolarHBondContact O-N 3.02Å; I892-R896 PolarHBondContact O-N 3.33Å
893	L	70.5	Confident	64.4	Low	95 Å²	95	95 Å²	95	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-41.2	175.8	-71.4	169.8	0	0	0	112	L889 N890 R896 K897	L889-L893 HydrophobicContact CG-CD1 4.15Å; L889-L893 WeakPolarHBondContact O-CB 3.38Å; L889-L893 VanDerWaalsContact O-CG 3.31Å; L889-L893 WeakPolarHBondContact O-CG 3.22Å; L889-L893 PolarHBondContact O-N 3.03Å; N890-L893 PolarHBondContact O-N 3.27Å; L893-R896 PolarHBondContact O-N 3.35Å; L893-K897 WeakPolarHBondContact O-CB 3.33Å; L893-K897 PolarHBondContact O-N 3.39Å
894	A	73.5	Confident	64.8	Low	57 Å²	57	97.2 Å²	97.2	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175.1	0	0	0	0	0	111.8	N890 N891 R896 K897 S898	N890-A894 VanDerWaalsContact O-CB 3.31Å; N890-A894 WeakPolarHBondContact O-CB 3.05Å; N890-A894 PolarHBondContact O-N 3.19Å; N891-A894 PolarHBondContact O-N 3.25Å; A894-R896 PolarHBondContact O-N 3.5Å; A894-K897 PolarHBondContact O-N 3.49Å; A894-S898 PolarHBondContact O-N 2.91Å; A894-S898 PolarHBondContact O-OG 3.32Å
895	A	75.6	Confident	65.1	Low	58 Å²	58	99 Å²	99	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-36.9	176.8	0	0	0	0	0	112.8	N891 S898 A899	N891-A895 WeakPolarHBondContact O-CB 3.46Å; N891-A895 PolarHBondContact O-N 3.49Å; A895-S898 PolarHBondContact O-OG 3.07Å; A895-A899 VanDerWaalsContact O-CB 3.26Å; A895-A899 WeakPolarHBondContact O-CB 3.26Å; A895-A899 PolarHBondContact O-N 3.14Å
896	R	72.9	Confident	65	Low	178 Å²	178	105.3 Å²	105.3	67%	0.672	56%	0.557	S	S	*	*	H	α-helix	trans	-66.2	-39.6	170.9	-93.9	-172.8	166.7	130.5	-2.8	112.5	I892 L893 A894 T900	I892-R896 PolarHBondContact O-N 3.33Å; L893-R896 PolarHBondContact O-N 3.35Å; A894-R896 PolarHBondContact O-N 3.5Å; R896-T900 WeakPolarHBondContact O-CB 2.76Å; R896-T900 PolarHBondContact O-N 3.46Å; R896-T900 PolarHBondContact O-OG1 3.37Å
897	K	76.2	Confident	64.3	Low	143 Å²	143	105.4 Å²	105.4	62%	0.622	56%	0.563	S	S	*	*	H	α-helix	trans	-64.5	-50.4	178.8	-169.5	176.2	179.5	-177.4	0	111.2	L893 A894 A899 T900 D901	L893-K897 WeakPolarHBondContact O-CB 3.33Å; L893-K897 PolarHBondContact O-N 3.39Å; A894-K897 PolarHBondContact O-N 3.49Å; K897-A899 PolarHBondContact O-N 3.06Å; K897-T900 WeakPolarHBondContact O-CB 3.47Å; K897-T900 PolarHBondContact O-N 3.16Å; K897-D901 PolarHBondContact O-N 3Å
898	S	74.8	Confident	63.5	Low	71 Å²	71	106.2 Å²	106.2	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-61.8	-41	177	60.3	0	0	0	0	112.5	A894 A895 T900 D901 E902	A894-S898 PolarHBondContact O-N 2.91Å; A894-S898 PolarHBondContact O-OG 3.32Å; A895-S898 PolarHBondContact O-OG 3.07Å; S898-T900 PolarHBondContact O-N 3.3Å; S898-D901 PolarHBondContact O-N 3.45Å; S898-E902 WeakPolarHBondContact O-CB 3.37Å; S898-E902 PolarHBondContact O-N 3.41Å
899	A	71.6	Confident	62.6	Low	61 Å²	61	106.2 Å²	106.2	50%	0.504	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-29	174.4	0	0	0	0	0	113.5	A895 K897 A903	A895-A899 VanDerWaalsContact O-CB 3.26Å; A895-A899 WeakPolarHBondContact O-CB 3.26Å; A895-A899 PolarHBondContact O-N 3.14Å; K897-A899 PolarHBondContact O-N 3.06Å; A899-A903 WeakPolarHBondContact O-CB 3.48Å; A899-A903 PolarHBondContact O-N 3.43Å; A899-A903 VanDerWaalsContact O-N 3.14Å
900	T	70.9	Confident	61.7	Low	84 Å²	84	110.7 Å²	110.7	52%	0.515	60%	0.6	S	S	.	*	H	α-helix	trans	-78.1	-45.3	175.5	-51.4	0	0	0	0	111.2	R896 K897 S898 E902 A903 C904	R896-T900 WeakPolarHBondContact O-CB 2.76Å; R896-T900 PolarHBondContact O-N 3.46Å; R896-T900 PolarHBondContact O-OG1 3.37Å; K897-T900 WeakPolarHBondContact O-CB 3.47Å; K897-T900 PolarHBondContact O-N 3.16Å; S898-T900 PolarHBondContact O-N 3.3Å; T900-E902 VanDerWaalsContact C-N 3.28Å; T900-E902 PolarHBondContact O-N 2.87Å; T900-A903 PolarHBondContact O-N 3.36Å; T900-C904 PolarHBondContact O-N 2.9Å; T900-C904 PolarHBondContact O-SG 2.93Å; T900-C904 VanDerWaalsContact O-SG 3.36Å
901	D	69	Low	60.4	Low	83 Å²	83	111.7 Å²	111.7	44%	0.444	62%	0.615	S	S	.	*	H	α-helix	trans	-62.6	-35.6	175.8	-71.5	-36.9	0	0	0	111.8	K897 S898 R905	K897-D901 PolarHBondContact O-N 3Å; S898-D901 PolarHBondContact O-N 3.45Å; D901-R905 WeakPolarHBondContact O-CB 3.24Å; D901-R905 WeakPolarHBondContact O-CD 3.25Å; D901-R905 VanDerWaalsContact O-CG 3.24Å; D901-R905 WeakPolarHBondContact O-CG 3.13Å; D901-R905 PolarHBondContact O-N 3.25Å
902	E	67.9	Low	58.7	Low	93 Å²	93	113 Å²	113	44%	0.435	63%	0.627	S	S	.	*	H	α-helix	trans	-68.3	-42.5	173.9	178.2	62.4	-158.2	0	0	112	S898 T900 C904 R905 R906	S898-E902 WeakPolarHBondContact O-CB 3.37Å; S898-E902 PolarHBondContact O-N 3.41Å; T900-E902 VanDerWaalsContact C-N 3.28Å; T900-E902 PolarHBondContact O-N 2.87Å; E902-C904 VanDerWaalsContact C-N 3.31Å; E902-C904 PolarHBondContact O-N 2.8Å; E902-R905 PolarHBondContact O-N 3.35Å; E902-R906 IonicContact OE1-CZ 2.99Å; E902-R906 IonicContact OE1-NE 3.36Å; E902-R906 PolarHBondContact OE1-NE 3.07Å; E902-R906 VanDerWaalsContact OE1-NE 3.07Å; E902-R906 IonicContact OE1-NH2 2.73Å; E902-R906 PolarHBondContact OE1-NH2 3.19Å
903	A	59	Low	57.2	Low	71 Å²	71	114 Å²	114	59%	0.587	64%	0.642	S	S	*	*	H	α-helix	trans	-63.5	-37	175	0	0	0	0	0	112.2	A899 T900 R905	A899-A903 WeakPolarHBondContact O-CB 3.48Å; A899-A903 PolarHBondContact O-N 3.43Å; A899-A903 VanDerWaalsContact O-N 3.14Å; T900-A903 PolarHBondContact O-N 3.36Å; A903-R905 VanDerWaalsContact C-N 3.26Å; A903-R905 PolarHBondContact O-N 3.37Å
904	C	59	Low	55.4	Low	108 Å²	108	119 Å²	119	73%	0.73	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-6.7	176.4	-69.5	0	0	0	0	114.5	T900 E902	T900-C904 PolarHBondContact O-N 2.9Å; T900-C904 PolarHBondContact O-SG 2.93Å; T900-C904 VanDerWaalsContact O-SG 3.36Å; E902-C904 VanDerWaalsContact C-N 3.31Å; E902-C904 PolarHBondContact O-N 2.8Å
905	R	54.8	Low	53.6	Low	207 Å²	207	121.8 Å²	121.8	78%	0.781	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-5.8	-176.2	-81.4	176.7	176.9	-136.5	-1.4	115.2	D901 E902 A903	D901-R905 WeakPolarHBondContact O-CB 3.24Å; D901-R905 WeakPolarHBondContact O-CD 3.25Å; D901-R905 VanDerWaalsContact O-CG 3.24Å; D901-R905 WeakPolarHBondContact O-CG 3.13Å; D901-R905 PolarHBondContact O-N 3.25Å; E902-R905 PolarHBondContact O-N 3.35Å; A903-R905 VanDerWaalsContact C-N 3.26Å; A903-R905 PolarHBondContact O-N 3.37Å
906	R	43.7	Very low	51.7	Low	170 Å²	170	123.7 Å²	123.7	64%	0.642	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-83.3	121.3	-177.6	-70.9	176.4	-176.5	-169	-0.7	111	E902	E902-R906 IonicContact OE1-CZ 2.99Å; E902-R906 IonicContact OE1-NE 3.36Å; E902-R906 PolarHBondContact OE1-NE 3.07Å; E902-R906 VanDerWaalsContact OE1-NE 3.07Å; E902-R906 IonicContact OE1-NH2 2.73Å; E902-R906 PolarHBondContact OE1-NH2 3.19Å
907	P	40.9	Very low	50.1	Low	115 Å²	115	121.8 Å²	121.8	75%	0.747	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-68.2	144	174.6	29.5	-34	0	0	0	110.3
908	V	41.3	Very low	48.4	Very low	131 Å²	131	123 Å²	123	79%	0.794	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-73.8	127.8	176	-178.6	0	0	0	0	108.8	E910	V908-E910 PolarHBondContact O-N 3.35Å
909	P	38.8	Very low	46.5	Very low	113 Å²	113	126.1 Å²	126.1	73%	0.734	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-74.1	117.6	173.1	29.4	-32.3	0	0	0	110
910	E	33.6	Very low	45	Very low	191 Å²	191	128.6 Å²	128.6	89%	0.893	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-63.3	136.7	167.6	-64.2	-176	132.4	0	0	110	V908	V908-E910 PolarHBondContact O-N 3.35Å
911	S	37.5	Very low	44.2	Very low	119 Å²	119	130 Å²	130	83%	0.832	73%	0.731	S	S	*	*			trans	-137.2	134.2	166.7	45.8	0	0	0	0	108.8
912	T	34.9	Very low	42.8	Very low	138 Å²	138	133.6 Å²	133.6	85%	0.847	75%	0.749	S	S	*	*			trans	-105.7	155.9	-154.6	44.6	0	0	0	0	113.5
913	S	34.6	Very low	41.7	Very low	109 Å²	109	133 Å²	133	76%	0.762	76%	0.755	S	S	*	*			trans	-85.9	129.9	177.5	55.3	0	0	0	0	112.6
914	F	33.2	Very low	41	Very low	200 Å²	200	136.3 Å²	136.3	88%	0.877	76%	0.763	S	S	*	*			trans	39.4	116.5	147.9	-89.2	-99.2	0	0	0	119.7
915	S	35.9	Very low	40.4	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	76%	0.764	S	S	*	*				-175.6	145.7	115.5	-79.5	0	0	0	0	114.2
916	S	36.5	Very low	39.9	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	77%	0.766	S	S	*	*			trans	52.4	120	152.1	-85	0	0	0	0	124
917	D	38.4	Very low	39.7	Very low	138 Å²	138	130 Å²	130	74%	0.738	77%	0.773	S	S	*	*				61.9	111.3	125.9	-47.3	-44	0	0	0	121.6
918	Q	39.5	Very low	39.6	Very low	169 Å²	169	129.9 Å²	129.9	79%	0.79	78%	0.776	S	S	*	*				167.5	129.7	96.4	-82.8	-162.6	34.4	0	0	115.3
919	I	36.2	Very low	39.6	Very low	136 Å²	136	131 Å²	131	70%	0.697	78%	0.776	S	S	*	*			trans	68.1	95.7	135.7	-57	-179.9	0	0	0	121.3
920	S	39	Very low	39.7	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	78%	0.778	S	S	*	*				82.5	155.5	124.8	-60.4	0	0	0	0	124.7
921	P	54.4	Low	40.3	Very low	115 Å²	115	127.7 Å²	127.7	75%	0.747	77%	0.769	S	S	*	*			trans	-129	-179.4	-167.7	44.5	-28.1	0	0	0	116.2
922	L	40.9	Very low	40.4	Very low	158 Å²	158	126.3 Å²	126.3	83%	0.827	76%	0.759	S	S	*	*			trans	-169.9	139.8	144.2	-114.4	73.9	0	0	0	106.1
923	S	44	Very low	40.7	Very low	81 Å²	81	126.2 Å²	126.2	57%	0.566	75%	0.754	S	S	*	*				76.5	135.9	59.2	121	0	0	0	0	113.2
924	D	44.6	Very low	41	Very low	139 Å²	139	128.4 Å²	128.4	74%	0.743	76%	0.757	S	S	*	*			cis	-156.1	172.5	5.1	-85.4	-47.6	0	0	0	114.7
925	D	45.8	Very low	41.3	Very low	141 Å²	141	127 Å²	127	75%	0.754	75%	0.753	S	S	*	*			trans	98.7	127	131.8	-109.2	-14.8	0	0	0	127.3
926	T	44.6	Very low	41.5	Very low	133 Å²	133	126.3 Å²	126.3	82%	0.816	75%	0.748	S	S	*	*			trans	56	156.2	155.9	64	0	0	0	0	121.5
927	G	39.5	Very low	41.3	Very low	78 Å²	78	131.1 Å²	131.1	80%	0.804	76%	0.757	S	S	*	*			cis	145.3	157	-1.1	0	0	0	0	0	111.1
928	S	39.3	Very low	41.4	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	75%	0.754	S	S	*	*			cis	-170	174.9	-12.7	-166	0	0	0	0	110.9
929	L	40.7	Very low	41.1	Very low	154 Å²	154	129.6 Å²	129.6	81%	0.806	76%	0.756	S	S	*	*			trans	71	134.3	173.4	-60.1	134.9	0	0	0	117.6
930	V	39.8	Very low	41.1	Very low	127 Å²	127	127.4 Å²	127.4	77%	0.77	76%	0.759	S	S	*	*			cis	82.1	135.3	27.9	-178.5	0	0	0	0	113.5
931	P	47.8	Very low	40.8	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	79%	0.785	S	S	*	*			cis	-133.9	-169.3	-4	38.7	-18.6	0	0	0	116.7
932	S	39.5	Very low	40.1	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	79%	0.787	S	S	*	*			trans	85.2	121.8	137.4	-84.8	0	0	0	0	124.5
933	D	40.4	Very low	40.1	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	78%	0.784	S	S	*	*				75.4	112.9	124.9	-48.2	-26.6	0	0	0	123.5
934	D	40.2	Very low	39.9	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	80%	0.797	S	S	*	*			trans	87.5	146.9	132.3	-92.7	-34.8	0	0	0	125.4
935	E	40.2	Very low	39.6	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	80%	0.8	S	S	*	*			trans	55.4	114.9	160.7	-64.5	-123.3	107.7	0	0	122.5
936	S	39.5	Very low	39.2	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	80%	0.803	S	S	*	*				100.7	119.1	128.2	80.2	0	0	0	0	121.6
937	F	34.1	Very low	38.8	Very low	200 Å²	200	136.7 Å²	136.7	88%	0.877	80%	0.802	S	S	*	*			trans	62.5	124.3	134.7	-92.6	-91.3	0	0	0	123.5
938	T	38.8	Very low	38.8	Very low	109 Å²	109	140.9 Å²	140.9	67%	0.669	80%	0.802	S	S	*	*			trans	100	88.9	144.5	-39.5	0	0	0	0	119.1
939	I	33.4	Very low	38.7	Very low	165 Å²	165	142.9 Å²	142.9	85%	0.846	80%	0.802	S	S	*	*				33.7	109.2	126.6	-50	167.1	0	0	0	117.5
940	A	36.2	Very low	38.6	Very low	91 Å²	91	142 Å²	142	75%	0.752	80%	0.801	S	S	*	*			trans	-171.3	81	137.6	0	0	0	0	0	113.2
941	L	33	Very low	38.5	Very low	254 Å²	254	143.4 Å²	143.4	100%	1.33	80%	0.804	S	S	*	*			trans	171	0	141	-94.2	162.2	0	0	0	111.5

Retrieved 941 of 941 residues in 363.4 ms (Link to these results)

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