G4LY72_SCHMA Loading...

Set, putative

AlphaFold DB , UniProt , Accession G4LY72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 254 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	49.8	Very low	234 Å²	234	150.1 Å²	150.1	100%	1.153	83%	0.834	S	S	*	*				0	121.6	0	-74.6	-176.1	172.3	0	0	108.1
2	A	42.9	Very low	49.7	Very low	104 Å²	104	150.4 Å²	150.4	86%	0.86	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-82.2	125.5	177.9	0	0	0	0	0	110.1
3	T	48.6	Very low	49.4	Very low	138 Å²	138	148.5 Å²	148.5	85%	0.847	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.4	124.3	175.5	39.4	0	0	0	0	110.3
4	Q	49.8	Very low	49.3	Very low	179 Å²	179	146.9 Å²	146.9	84%	0.836	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.6	150	174.9	-74.1	-95.8	-5.1	0	0	111.1
5	P	47.9	Very low	49.4	Very low	107 Å²	107	142.7 Å²	142.7	70%	0.695	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.6	135.3	-178	-4.2	20.6	0	0	0	111.9	V7	P5-V7 PolarHBondContact O-N 3.09Å
6	K	57.9	Low	50	Low	178 Å²	178	135 Å²	135	77%	0.774	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.7	118.2	175.8	-115.8	173.9	178.6	175.3	0	110.7	E31	K6-E31 IonicContact NZ-OE1 3.94Å; K6-E31 PolarHBondContact NZ-OE1 3.17Å
7	V	59	Low	50.3	Low	129 Å²	129	135.2 Å²	135.2	78%	0.782	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.8	133.5	171.6	-176.6	0	0	0	0	109.8	P5	P5-V7 PolarHBondContact O-N 3.09Å
8	P	45.9	Very low	50.8	Low	119 Å²	119	131.1 Å²	131.1	77%	0.773	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-73.5	136.7	178.8	-9.7	25.5	0	0	0	111.8
9	R	59	Low	51.4	Low	224 Å²	224	131.8 Å²	131.8	85%	0.845	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-85.3	136.7	-179.9	-154.6	175.3	-165.6	-171.1	4	111.5
10	P	45.2	Very low	51.9	Low	121 Å²	121	129.2 Å²	129.2	79%	0.786	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-76.5	134.9	176.3	30.4	-31.6	0	0	0	111
11	S	46.8	Very low	52.9	Low	118 Å²	118	126.5 Å²	126.5	83%	0.825	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-71.2	119.4	177.2	45.1	0	0	0	0	111.3
12	N	49	Very low	54.8	Low	154 Å²	154	118.2 Å²	118.2	82%	0.824	70%	0.7	S	S	*	*			trans	-124.2	110.9	164.4	-142.7	28.7	0	0	0	108.6
13	D	46.3	Very low	57	Low	125 Å²	125	116 Å²	116	67%	0.668	68%	0.676	S	S	*	*			trans	-106	105.8	-172.9	179	19.3	0	0	0	108.5
14	T	47.9	Very low	58.9	Low	127 Å²	127	113.6 Å²	113.6	78%	0.779	66%	0.658	S	S	*	*	S	Bend	trans	-164.4	104.6	158	42.2	0	0	0	0	109.6
15	G	50.5	Low	60.9	Low	83 Å²	83	108.3 Å²	108.3	86%	0.856	64%	0.638	S	S	*	*	S	Bend	trans	107	5.3	166.5	0	0	0	0	0	116.6
16	A	58.3	Low	63.1	Low	20 Å²	20	107.8 Å²	107.8	17%	0.165	63%	0.629	C	S	.	*			trans	-114.9	5.4	-138.4	0	0	0	0	0	116.7	G18 E19 L20	A16-G18 PolarHBondContact O-N 2.98Å; A16-E19 PolarHBondContact O-N 3.38Å; A16-L20 HydrophobicContact CB-CD1 3.42Å; A16-L20 VanDerWaalsContact CB-CD1 3.42Å; A16-L20 HydrophobicContact CB-CG 3.86Å; A16-L20 WeakPolarHBondContact O-CB 3.45Å; A16-L20 WeakPolarHBondContact O-CD1 3.47Å; A16-L20 WeakPolarHBondContact O-CG 3.47Å; A16-L20 PolarHBondContact O-N 2.98Å
17	D	55.7	Low	64.8	Low	138 Å²	138	102.5 Å²	102.5	74%	0.738	61%	0.609	S	S	*	*	H	α-helix	trans	-63.9	-37.6	-169.2	-73.8	-26	0	0	0	114.8	S21	D17-S21 WeakPolarHBondContact O-CB 3.39Å; D17-S21 PolarHBondContact O-N 3.29Å
18	G	59.3	Low	66.5	Low	61 Å²	61	101.3 Å²	101.3	63%	0.629	60%	0.598	S	S	*	*	H	α-helix	trans	-74.8	-39.5	177.7	0	0	0	0	0	113.4	A16 S22	A16-G18 PolarHBondContact O-N 2.98Å; G18-S22 PolarHBondContact O-N 3.17Å; G18-S22 PolarHBondContact O-OG 3.06Å
19	E	61.3	Low	68.9	Low	146 Å²	146	100.6 Å²	100.6	68%	0.682	58%	0.584	S	S	*	*	H	α-helix	trans	-75.9	-32.9	177.6	-70.9	-176.1	166	0	0	112.4	A16 S22 T23	A16-E19 PolarHBondContact O-N 3.38Å; E19-S22 WeakPolarHBondContact CA-OG 3.45Å; E19-S22 PolarHBondContact O-OG 3.01Å; E19-T23 VanDerWaalsContact O-CB 3.24Å; E19-T23 WeakPolarHBondContact O-CB 3.37Å; E19-T23 PolarHBondContact O-N 3.46Å; E19-T23 PolarHBondContact O-OG1 3.11Å
20	L	62.7	Low	70.7	Confident	78 Å²	78	95.3 Å²	95.3	41%	0.408	57%	0.572	S	S	.	*	H	α-helix	trans	-65.1	-41.8	171.5	-80.9	159.6	0	0	0	110.6	A16 T23 N24	A16-L20 HydrophobicContact CB-CD1 3.42Å; A16-L20 VanDerWaalsContact CB-CD1 3.42Å; A16-L20 HydrophobicContact CB-CG 3.86Å; A16-L20 WeakPolarHBondContact O-CB 3.45Å; A16-L20 WeakPolarHBondContact O-CD1 3.47Å; A16-L20 WeakPolarHBondContact O-CG 3.47Å; A16-L20 PolarHBondContact O-N 2.98Å; L20-T23 PolarHBondContact O-N 3.01Å; L20-N24 WeakPolarHBondContact O-CB 3.11Å; L20-N24 PolarHBondContact O-N 3.42Å; L20-N24 PolarHBondContact O-ND2 2.91Å; L20-N24 VanDerWaalsContact O-ND2 3.11Å
21	S	73.4	Confident	73.2	Confident	73 Å²	73	93.3 Å²	93.3	51%	0.51	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-44.5	176.8	-172.3	0	0	0	0	112	D17 N24 T25	D17-S21 WeakPolarHBondContact O-CB 3.39Å; D17-S21 PolarHBondContact O-N 3.29Å; S21-N24 PolarHBondContact O-N 3.13Å; S21-T25 PolarHBondContact O-N 3.45Å; S21-T25 VanDerWaalsContact O-N 3.13Å; S21-T25 PolarHBondContact O-OG1 2.67Å; S21-T25 VanDerWaalsContact O-OG1 3.09Å
22	S	83.2	Confident	75.6	Confident	61 Å²	61	94.5 Å²	94.5	43%	0.427	54%	0.544	S	S	.	.	H	α-helix	trans	-68.8	-38.3	177.8	61.4	0	0	0	0	112.2	G18 E19 T25 L26	G18-S22 PolarHBondContact O-N 3.17Å; G18-S22 PolarHBondContact O-OG 3.06Å; E19-S22 WeakPolarHBondContact CA-OG 3.45Å; E19-S22 PolarHBondContact O-OG 3.01Å; S22-T25 PolarHBondContact O-N 3.2Å; S22-L26 WeakPolarHBondContact O-CG 3.48Å; S22-L26 PolarHBondContact O-N 2.99Å
23	T	89.1	Confident	77.9	Confident	58 Å²	58	91.4 Å²	91.4	36%	0.356	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.3	-57.8	0	0	0	0	111.3	E19 L20 L26 I27	E19-T23 VanDerWaalsContact O-CB 3.24Å; E19-T23 WeakPolarHBondContact O-CB 3.37Å; E19-T23 PolarHBondContact O-N 3.46Å; E19-T23 PolarHBondContact O-OG1 3.11Å; L20-T23 PolarHBondContact O-N 3.01Å; T23-L26 PolarHBondContact O-N 2.9Å; T23-I27 HydrophobicContact CG2-CD1 4.08Å; T23-I27 WeakPolarHBondContact O-CG1 3.2Å; T23-I27 PolarHBondContact O-N 3.46Å
24	N	89.1	Confident	80.3	Confident	86 Å²	86	89.7 Å²	89.7	46%	0.46	52%	0.519	S	S	.	.	H	α-helix	trans	-64.8	-42.3	177.5	-72.5	-30.5	0	0	0	111.9	L20 S21 L26 I27 D28	L20-N24 WeakPolarHBondContact O-CB 3.11Å; L20-N24 PolarHBondContact O-N 3.42Å; L20-N24 PolarHBondContact O-ND2 2.91Å; L20-N24 VanDerWaalsContact O-ND2 3.11Å; S21-N24 PolarHBondContact O-N 3.13Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 3.4Å; N24-I27 PolarHBondContact O-N 3.48Å; N24-I27 VanDerWaalsContact O-N 3.17Å; N24-D28 PolarHBondContact O-N 3.32Å
25	T	91	Very high	82.7	Confident	69 Å²	69	88.1 Å²	88.1	42%	0.423	51%	0.505	S	S	.	.	H	α-helix	trans	-59.6	-42.5	173.5	-54.4	0	0	0	0	112	S21 S22 I27 D28 E29	S21-T25 PolarHBondContact O-N 3.45Å; S21-T25 VanDerWaalsContact O-N 3.13Å; S21-T25 PolarHBondContact O-OG1 2.67Å; S21-T25 VanDerWaalsContact O-OG1 3.09Å; S22-T25 PolarHBondContact O-N 3.2Å; T25-I27 VanDerWaalsContact C-N 3.33Å; T25-I27 PolarHBondContact O-N 3.18Å; T25-D28 PolarHBondContact O-N 2.96Å; T25-E29 WeakPolarHBondContact O-CG 3.44Å; T25-E29 PolarHBondContact O-N 2.75Å
26	L	93.5	Very high	84.9	Confident	95 Å²	95	86.7 Å²	86.7	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-36.6	175.7	-72.4	170.3	0	0	0	112.6	S22 T23 N24 E29 I30	S22-L26 WeakPolarHBondContact O-CG 3.48Å; S22-L26 PolarHBondContact O-N 2.99Å; T23-L26 PolarHBondContact O-N 2.9Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 3.4Å; L26-E29 PolarHBondContact O-N 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.5Å; L26-I30 WeakPolarHBondContact O-CD1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.48Å; L26-I30 PolarHBondContact O-N 3.48Å
27	I	95.6	Very high	86.8	Confident	68 Å²	68	89.1 Å²	89.1	35%	0.349	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-43.9	175.2	-69.8	165.6	0	0	0	110.4	T23 N24 T25 E29 I30 E31	T23-I27 HydrophobicContact CG2-CD1 4.08Å; T23-I27 WeakPolarHBondContact O-CG1 3.2Å; T23-I27 PolarHBondContact O-N 3.46Å; N24-I27 PolarHBondContact O-N 3.48Å; N24-I27 VanDerWaalsContact O-N 3.17Å; T25-I27 VanDerWaalsContact C-N 3.33Å; T25-I27 PolarHBondContact O-N 3.18Å; I27-E29 VanDerWaalsContact C-N 3.34Å; I27-E29 PolarHBondContact O-N 3.36Å; I27-I30 PolarHBondContact O-N 3.07Å; I27-E31 WeakPolarHBondContact O-CG 3.37Å; I27-E31 PolarHBondContact O-N 3.38Å
28	D	94.4	Very high	88.8	Confident	103 Å²	103	85.9 Å²	85.9	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-61.7	-42.4	177.3	-65.5	-23.3	0	0	0	111.3	N24 T25 E31 E32	N24-D28 PolarHBondContact O-N 3.32Å; T25-D28 PolarHBondContact O-N 2.96Å; D28-E31 PolarHBondContact O-N 3.37Å; D28-E32 PolarHBondContact O-N 2.93Å
29	E	95.6	Very high	90.5	Very high	105 Å²	105	87.8 Å²	87.8	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-40.2	174.1	-72	177.2	-158.6	0	0	112.1	T25 L26 I27 E32 V33	T25-E29 WeakPolarHBondContact O-CG 3.44Å; T25-E29 PolarHBondContact O-N 2.75Å; L26-E29 PolarHBondContact O-N 3.28Å; I27-E29 VanDerWaalsContact C-N 3.34Å; I27-E29 PolarHBondContact O-N 3.36Å; E29-E32 PolarHBondContact O-N 3.48Å; E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 2.84Å
30	I	97.6	Very high	92.3	Very high	113 Å²	113	86 Å²	86	58%	0.579	47%	0.468	S	S	*	.	H	α-helix	trans	-64.3	-42.3	174.7	-70.8	163.1	0	0	0	110.8	L26 I27 E32 V33 Q34	L26-I30 WeakPolarHBondContact O-CB 3.5Å; L26-I30 WeakPolarHBondContact O-CD1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.48Å; L26-I30 PolarHBondContact O-N 3.48Å; I27-I30 PolarHBondContact O-N 3.07Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 PolarHBondContact O-N 2.89Å; I30-V33 PolarHBondContact O-N 3.31Å; I30-Q34 WeakPolarHBondContact O-CB 3.39Å; I30-Q34 PolarHBondContact O-N 3.04Å
31	E	96.5	Very high	93.8	Very high	78 Å²	78	86 Å²	86	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-39.5	176.9	-73.2	-168.2	167.8	0	0	111.4	K6 I27 D28 Q34 N35	K6-E31 IonicContact NZ-OE1 3.94Å; K6-E31 PolarHBondContact NZ-OE1 3.17Å; I27-E31 WeakPolarHBondContact O-CG 3.37Å; I27-E31 PolarHBondContact O-N 3.38Å; D28-E31 PolarHBondContact O-N 3.37Å; E31-Q34 PolarHBondContact O-N 3.49Å; E31-N35 WeakPolarHBondContact O-CB 3.42Å; E31-N35 PolarHBondContact O-N 3.28Å; E31-N35 PolarHBondContact O-ND2 3.2Å
32	E	96.7	Very high	94.8	Very high	144 Å²	144	87.3 Å²	87.3	67%	0.673	47%	0.466	S	S	*	.	H	α-helix	trans	-61.4	-46.2	173.9	-173.2	176	179.7	0	0	112	D28 E29 I30 N35 A36	D28-E32 PolarHBondContact O-N 2.93Å; E29-E32 PolarHBondContact O-N 3.48Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 PolarHBondContact O-N 2.89Å; E32-N35 PolarHBondContact O-N 3.16Å; E32-A36 PolarHBondContact O-N 3.39Å
33	V	97.5	Very high	95.3	Very high	88 Å²	88	89.8 Å²	89.8	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-42.5	176.6	173.2	0	0	0	0	111.3	E29 I30 N35 A36 I37	E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 2.84Å; I30-V33 PolarHBondContact O-N 3.31Å; V33-N35 PolarHBondContact O-N 2.86Å; V33-A36 WeakPolarHBondContact O-CB 3.38Å; V33-A36 PolarHBondContact O-N 2.93Å; V33-I37 HydrophobicContact CG1-CD1 4.01Å; V33-I37 WeakPolarHBondContact O-CG1 3.33Å; V33-I37 PolarHBondContact O-N 3.45Å
34	Q	97.8	Very high	95.6	Very high	90 Å²	90	89.1 Å²	89.1	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-62.6	-42.9	178	-172.4	61.1	55.2	0	0	111.3	I30 E31 A36 I37 D38	I30-Q34 WeakPolarHBondContact O-CB 3.39Å; I30-Q34 PolarHBondContact O-N 3.04Å; E31-Q34 PolarHBondContact O-N 3.49Å; Q34-A36 VanDerWaalsContact C-N 3.28Å; Q34-A36 PolarHBondContact O-N 3.48Å; Q34-I37 WeakPolarHBondContact O-CB 3.18Å; Q34-I37 PolarHBondContact O-N 3.38Å; Q34-I37 VanDerWaalsContact O-N 3.16Å; Q34-D38 PolarHBondContact NE2-OD1 3.04Å; Q34-D38 VanDerWaalsContact O-CG 3.29Å; Q34-D38 PolarHBondContact O-N 2.99Å
35	N	97.3	Very high	95.7	Very high	93 Å²	93	87.4 Å²	87.4	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-60.4	-38.6	174.7	-70.9	-36.9	0	0	0	111.8	E31 E32 V33 N39	E31-N35 WeakPolarHBondContact O-CB 3.42Å; E31-N35 PolarHBondContact O-N 3.28Å; E31-N35 PolarHBondContact O-ND2 3.2Å; E32-N35 PolarHBondContact O-N 3.16Å; V33-N35 PolarHBondContact O-N 2.86Å; N35-N39 WeakPolarHBondContact O-CB 3.46Å; N35-N39 VanDerWaalsContact O-CG 3.23Å; N35-N39 PolarHBondContact O-N 3.11Å; N35-N39 VanDerWaalsContact O-N 3.07Å; N35-N39 PolarHBondContact O-ND2 2.93Å
36	A	97.6	Very high	95.8	Very high	53 Å²	53	88.5 Å²	88.5	44%	0.438	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-39.6	175.5	0	0	0	0	0	112.3	E32 V33 Q34 L40	E32-A36 PolarHBondContact O-N 3.39Å; V33-A36 WeakPolarHBondContact O-CB 3.38Å; V33-A36 PolarHBondContact O-N 2.93Å; Q34-A36 VanDerWaalsContact C-N 3.28Å; Q34-A36 PolarHBondContact O-N 3.48Å; A36-L40 WeakPolarHBondContact O-CG 3.48Å; A36-L40 PolarHBondContact O-N 3.47Å; A36-L40 VanDerWaalsContact O-N 3.12Å
37	I	97.9	Very high	95.8	Very high	71 Å²	71	90.2 Å²	90.2	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-63.9	-47.4	174.9	-69	166.8	0	0	0	110.8	V33 Q34 N39 L40 N41	V33-I37 HydrophobicContact CG1-CD1 4.01Å; V33-I37 WeakPolarHBondContact O-CG1 3.33Å; V33-I37 PolarHBondContact O-N 3.45Å; Q34-I37 WeakPolarHBondContact O-CB 3.18Å; Q34-I37 PolarHBondContact O-N 3.38Å; Q34-I37 VanDerWaalsContact O-N 3.16Å; I37-N39 VanDerWaalsContact C-N 3.29Å; I37-N39 PolarHBondContact O-N 3.32Å; I37-L40 WeakPolarHBondContact O-CB 3.44Å; I37-L40 PolarHBondContact O-N 3.42Å; I37-L40 VanDerWaalsContact O-N 3.09Å; I37-N41 PolarHBondContact O-N 3.48Å; I37-N41 PolarHBondContact O-ND2 2.96Å
38	D	97.2	Very high	95.7	Very high	70 Å²	70	91.6 Å²	91.6	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-61.8	-39.8	-179.4	-67	-13.2	0	0	0	111.2	Q34 L40 N41 E42	Q34-D38 PolarHBondContact NE2-OD1 3.04Å; Q34-D38 VanDerWaalsContact O-CG 3.29Å; Q34-D38 PolarHBondContact O-N 2.99Å; D38-L40 PolarHBondContact O-N 3.3Å; D38-N41 PolarHBondContact O-N 3.02Å; D38-E42 PolarHBondContact O-N 3.27Å
39	N	96.7	Very high	95.4	Very high	101 Å²	101	88 Å²	88	54%	0.54	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-39.4	173.6	-75.2	-37.2	0	0	0	112.9	N35 I37 Q43	N35-N39 WeakPolarHBondContact O-CB 3.46Å; N35-N39 VanDerWaalsContact O-CG 3.23Å; N35-N39 PolarHBondContact O-N 3.11Å; N35-N39 VanDerWaalsContact O-N 3.07Å; N35-N39 PolarHBondContact O-ND2 2.93Å; I37-N39 VanDerWaalsContact C-N 3.29Å; I37-N39 PolarHBondContact O-N 3.32Å; N39-Q43 WeakPolarHBondContact O-CG 3.41Å; N39-Q43 PolarHBondContact O-N 3.46Å; N39-Q43 VanDerWaalsContact O-N 3.15Å
40	L	97.1	Very high	95.3	Very high	110 Å²	110	88.6 Å²	88.6	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-67.8	-39.4	175.4	-74.3	170.6	0	0	0	111.6	A36 I37 D38 Q43 A44	A36-L40 WeakPolarHBondContact O-CG 3.48Å; A36-L40 PolarHBondContact O-N 3.47Å; A36-L40 VanDerWaalsContact O-N 3.12Å; I37-L40 WeakPolarHBondContact O-CB 3.44Å; I37-L40 PolarHBondContact O-N 3.42Å; I37-L40 VanDerWaalsContact O-N 3.09Å; D38-L40 PolarHBondContact O-N 3.3Å; L40-Q43 PolarHBondContact O-N 3.36Å; L40-A44 WeakPolarHBondContact O-CB 3.43Å; L40-A44 PolarHBondContact O-N 3.15Å
41	N	95.5	Very high	95.1	Very high	76 Å²	76	87 Å²	87	41%	0.406	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-38.9	176.7	-71.5	-27.9	0	0	0	112.1	I37 D38 A44 S45	I37-N41 PolarHBondContact O-N 3.48Å; I37-N41 PolarHBondContact O-ND2 2.96Å; D38-N41 PolarHBondContact O-N 3.02Å; N41-A44 PolarHBondContact O-N 2.9Å; N41-S45 WeakPolarHBondContact O-CB 3.33Å; N41-S45 PolarHBondContact O-N 3.12Å; N41-S45 PolarHBondContact O-OG 3.4Å
42	E	93.6	Very high	94.9	Very high	101 Å²	101	87.2 Å²	87.2	47%	0.472	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-45.9	175	-170.2	59.2	-146.3	0	0	111	D38 A44 S45 E46	D38-E42 PolarHBondContact O-N 3.27Å; E42-A44 PolarHBondContact O-N 3.09Å; E42-S45 WeakPolarHBondContact O-CB 3.4Å; E42-S45 PolarHBondContact O-N 2.92Å; E42-S45 VanDerWaalsContact O-N 3.15Å; E42-E46 PolarHBondContact O-N 2.98Å
43	Q	95.1	Very high	94.6	Very high	113 Å²	113	83.6 Å²	83.6	53%	0.528	44%	0.44	S	S	.	.	H	α-helix	trans	-59.1	-45.3	175.7	-72.2	175.1	37	0	0	112.1	N39 L40 S45 E46 E47	N39-Q43 WeakPolarHBondContact O-CG 3.41Å; N39-Q43 PolarHBondContact O-N 3.46Å; N39-Q43 VanDerWaalsContact O-N 3.15Å; L40-Q43 PolarHBondContact O-N 3.36Å; Q43-S45 VanDerWaalsContact C-N 3.33Å; Q43-S45 PolarHBondContact O-N 3.15Å; Q43-E46 PolarHBondContact O-N 3.05Å; Q43-E47 PolarHBondContact O-N 2.92Å
44	A	95.3	Very high	94.4	Very high	45 Å²	45	85.6 Å²	85.6	37%	0.372	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175.7	0	0	0	0	0	111.6	L40 N41 E42 E46 E47 I48	L40-A44 WeakPolarHBondContact O-CB 3.43Å; L40-A44 PolarHBondContact O-N 3.15Å; N41-A44 PolarHBondContact O-N 2.9Å; E42-A44 PolarHBondContact O-N 3.09Å; A44-E46 PolarHBondContact O-N 2.66Å; A44-E47 PolarHBondContact O-N 2.92Å; A44-I48 WeakPolarHBondContact O-CB 3.33Å; A44-I48 VanDerWaalsContact O-CG1 3.29Å; A44-I48 WeakPolarHBondContact O-CG1 3.45Å; A44-I48 PolarHBondContact O-N 3.44Å
45	S	91.4	Very high	94.2	Very high	50 Å²	50	85.6 Å²	85.6	35%	0.35	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-39.3	178.3	-60.3	0	0	0	0	112.2	N41 E42 Q43 L49	N41-S45 WeakPolarHBondContact O-CB 3.33Å; N41-S45 PolarHBondContact O-N 3.12Å; N41-S45 PolarHBondContact O-OG 3.4Å; E42-S45 WeakPolarHBondContact O-CB 3.4Å; E42-S45 PolarHBondContact O-N 2.92Å; E42-S45 VanDerWaalsContact O-N 3.15Å; Q43-S45 VanDerWaalsContact C-N 3.33Å; Q43-S45 PolarHBondContact O-N 3.15Å; S45-L49 WeakPolarHBondContact O-CB 3.34Å; S45-L49 PolarHBondContact O-N 3.33Å
46	E	91.2	Very high	93.9	Very high	91 Å²	91	82.6 Å²	82.6	43%	0.425	43%	0.425	S	S	.	.	H	α-helix	trans	-66.6	-39.9	174.2	-72.5	-171.8	-177.2	0	0	112.9	E42 Q43 A44 K50	E42-E46 PolarHBondContact O-N 2.98Å; Q43-E46 PolarHBondContact O-N 3.05Å; A44-E46 PolarHBondContact O-N 2.66Å; E46-K50 WeakPolarHBondContact O-CG 3.36Å; E46-K50 PolarHBondContact O-N 3.21Å; E46-K50 VanDerWaalsContact O-N 3.11Å; E46-K50 IonicContact OE2-NZ 3.84Å
47	E	94.6	Very high	93.6	Very high	132 Å²	132	87.6 Å²	87.6	62%	0.617	44%	0.437	S	S	*	.	H	α-helix	trans	-67.8	-44.7	178	-73.5	-167.7	177.6	0	0	111.9	Q43 A44 L49 K50 V51	Q43-E47 PolarHBondContact O-N 2.92Å; A44-E47 PolarHBondContact O-N 2.92Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 3.23Å; E47-K50 PolarHBondContact O-N 2.92Å; E47-V51 WeakPolarHBondContact O-CG2 3.42Å; E47-V51 PolarHBondContact O-N 3.35Å
48	I	92.8	Very high	93.5	Very high	96 Å²	96	89.1 Å²	89.1	49%	0.492	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-47	174.1	-70	166.4	0	0	0	109.9	A44 K50 V51 E52	A44-I48 WeakPolarHBondContact O-CB 3.33Å; A44-I48 VanDerWaalsContact O-CG1 3.29Å; A44-I48 WeakPolarHBondContact O-CG1 3.45Å; A44-I48 PolarHBondContact O-N 3.44Å; I48-K50 VanDerWaalsContact C-N 3.32Å; I48-K50 PolarHBondContact O-N 3.32Å; I48-V51 WeakPolarHBondContact O-CA 3.45Å; I48-V51 WeakPolarHBondContact O-CB 3.36Å; I48-V51 PolarHBondContact O-N 3.2Å; I48-E52 HydrophobicContact CG2-CG 4.28Å; I48-E52 WeakPolarHBondContact O-CG 3.3Å; I48-E52 PolarHBondContact O-N 3.22Å
49	L	89.4	Confident	93.4	Very high	27 Å²	27	90.5 Å²	90.5	14%	0.141	44%	0.443	C	S	.	.	H	α-helix	trans	-58	-43	178.3	-177.5	65.5	0	0	0	112.2	S45 E47 V51 E52 Q53 I113 K114	S45-L49 WeakPolarHBondContact O-CB 3.34Å; S45-L49 PolarHBondContact O-N 3.33Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 3.23Å; L49-V51 VanDerWaalsContact C-N 3.31Å; L49-V51 PolarHBondContact O-N 3.04Å; L49-E52 PolarHBondContact O-N 3.45Å; L49-Q53 WeakPolarHBondContact O-CB 3.36Å; L49-Q53 VanDerWaalsContact O-CG 3.3Å; L49-Q53 WeakPolarHBondContact O-CG 3.34Å; L49-Q53 PolarHBondContact O-N 2.76Å; L49-I113 HydrophobicContact CD1-CB 3.87Å; L49-I113 HydrophobicContact CD1-CD1 4.24Å; L49-I113 HydrophobicContact CD1-CG1 4.41Å; L49-K114 HydrophobicContact CD1-CG 4.2Å; L49-K114 HydrophobicContact CD2-CD 4.3Å
50	K	91.7	Very high	93.2	Very high	118 Å²	118	90.7 Å²	90.7	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-62.7	-39.1	176.3	-71.8	163.4	-171	153.1	0	111.7	E46 E47 I48 K54	E46-K50 WeakPolarHBondContact O-CG 3.36Å; E46-K50 PolarHBondContact O-N 3.21Å; E46-K50 VanDerWaalsContact O-N 3.11Å; E46-K50 IonicContact OE2-NZ 3.84Å; E47-K50 PolarHBondContact O-N 2.92Å; I48-K50 VanDerWaalsContact C-N 3.32Å; I48-K50 PolarHBondContact O-N 3.32Å; K50-K54 WeakPolarHBondContact O-CB 3.48Å; K50-K54 PolarHBondContact O-N 3.14Å; K50-K54 VanDerWaalsContact O-N 3.13Å
51	V	94.4	Very high	93.2	Very high	79 Å²	79	88.8 Å²	88.8	48%	0.479	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-48.1	176.1	172.4	0	0	0	0	110.3	E47 I48 L49 Q53 K54 F55	E47-V51 WeakPolarHBondContact O-CG2 3.42Å; E47-V51 PolarHBondContact O-N 3.35Å; I48-V51 WeakPolarHBondContact O-CA 3.45Å; I48-V51 WeakPolarHBondContact O-CB 3.36Å; I48-V51 PolarHBondContact O-N 3.2Å; L49-V51 VanDerWaalsContact C-N 3.31Å; L49-V51 PolarHBondContact O-N 3.04Å; V51-Q53 PolarHBondContact O-N 3.33Å; V51-K54 WeakPolarHBondContact O-CB 3.41Å; V51-K54 PolarHBondContact O-N 2.96Å; V51-F55 HydrophobicContact CG1-CD2 3.74Å; V51-F55 HydrophobicContact CG1-CE2 3.93Å; V51-F55 WeakPolarHBondContact O-CD2 3.42Å; V51-F55 PolarHBondContact O-N 3.21Å
52	E	91.3	Very high	93.3	Very high	84 Å²	84	91.9 Å²	91.9	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-47.9	178.2	-71.1	-178.5	164.2	0	0	111.9	I48 L49 K54 F55 N56 I113	I48-E52 HydrophobicContact CG2-CG 4.28Å; I48-E52 WeakPolarHBondContact O-CG 3.3Å; I48-E52 PolarHBondContact O-N 3.22Å; L49-E52 PolarHBondContact O-N 3.45Å; E52-K54 VanDerWaalsContact C-N 3.28Å; E52-K54 PolarHBondContact O-N 3.29Å; E52-F55 PolarHBondContact O-N 3.13Å; E52-F55 VanDerWaalsContact O-N 3.14Å; E52-N56 WeakPolarHBondContact O-CB 3.45Å; E52-N56 PolarHBondContact O-N 3.44Å; E52-I113 HydrophobicContact CB-CD1 3.63Å
53	Q	90.8	Very high	93.4	Very high	67 Å²	67	89.6 Å²	89.6	31%	0.313	44%	0.436	S	S	.	.	H	α-helix	trans	-56.6	-41.6	175.8	-75	178.3	-15.8	0	0	112.5	L49 V51 K57 I113	L49-Q53 WeakPolarHBondContact O-CB 3.36Å; L49-Q53 VanDerWaalsContact O-CG 3.3Å; L49-Q53 WeakPolarHBondContact O-CG 3.34Å; L49-Q53 PolarHBondContact O-N 2.76Å; V51-Q53 PolarHBondContact O-N 3.33Å; Q53-K57 WeakPolarHBondContact O-CG 3.36Å; Q53-K57 PolarHBondContact O-N 2.93Å; Q53-I113 HydrophobicContact CB-CD1 4.26Å; Q53-I113 HydrophobicContact CG-CD1 3.57Å; Q53-I113 HydrophobicContact CG-CG1 4.2Å
54	K	94	Very high	93.3	Very high	130 Å²	130	89.2 Å²	89.2	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-62.8	-50.2	176	176.8	-173.8	174.2	-173.5	0	110.9	K50 V51 E52 K57 M58	K50-K54 WeakPolarHBondContact O-CB 3.48Å; K50-K54 PolarHBondContact O-N 3.14Å; K50-K54 VanDerWaalsContact O-N 3.13Å; V51-K54 WeakPolarHBondContact O-CB 3.41Å; V51-K54 PolarHBondContact O-N 2.96Å; E52-K54 VanDerWaalsContact C-N 3.28Å; E52-K54 PolarHBondContact O-N 3.29Å; K54-K57 PolarHBondContact O-N 3.46Å; K54-M58 HydrophobicContact CG-SD 4.32Å; K54-M58 WeakPolarHBondContact O-CG 3.46Å; K54-M58 PolarHBondContact O-N 2.81Å
55	F	93.7	Very high	93.4	Very high	91 Å²	91	92 Å²	92	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-73.5	-28.3	-176.3	-81.7	-80.1	0	0	0	113.1	V51 E52 M58 R59	V51-F55 HydrophobicContact CG1-CD2 3.74Å; V51-F55 HydrophobicContact CG1-CE2 3.93Å; V51-F55 WeakPolarHBondContact O-CD2 3.42Å; V51-F55 PolarHBondContact O-N 3.21Å; E52-F55 PolarHBondContact O-N 3.13Å; E52-F55 VanDerWaalsContact O-N 3.14Å; F55-M58 HydrophobicContact CD1-SD 4.26Å; F55-M58 HydrophobicContact CE1-SD 4.36Å; F55-M58 CarbonylContact O-C 3.56Å; F55-M58 PolarHBondContact O-N 3.08Å; F55-R59 WeakPolarHBondContact O-CB 3.49Å; F55-R59 WeakPolarHBondContact O-CG 3.29Å; F55-R59 PolarHBondContact O-N 3.49Å
56	N	90.2	Very high	93.7	Very high	30 Å²	30	92.1 Å²	92.1	16%	0.16	43%	0.43	C	S	.	.	H	α-helix	trans	-59.9	-47.8	170.6	-83.1	-16.4	0	0	0	112.2	E52 M58 R59 Q60 E109 I113	E52-N56 WeakPolarHBondContact O-CB 3.45Å; E52-N56 PolarHBondContact O-N 3.44Å; N56-M58 PolarHBondContact O-N 2.61Å; N56-R59 PolarHBondContact O-N 2.78Å; N56-R59 VanDerWaalsContact O-N 3.14Å; N56-R59 PolarHBondContact OD1-NE 3.42Å; N56-R59 PolarHBondContact OD1-NH2 3.05Å; N56-Q60 PolarHBondContact O-N 2.87Å; N56-E109 PolarHBondContact ND2-OE2 2.85Å; N56-I113 WeakPolarHBondContact ND2-CD1 3.46Å
57	K	92	Very high	93.9	Very high	158 Å²	158	88.2 Å²	88.2	69%	0.687	41%	0.413	S	S	*	.	H	α-helix	trans	-60.2	-36.4	174.6	-69.9	174.6	-178.1	174.8	0	112.1	Q53 K54 P61	Q53-K57 WeakPolarHBondContact O-CG 3.36Å; Q53-K57 PolarHBondContact O-N 2.93Å; K54-K57 PolarHBondContact O-N 3.46Å; K57-P61 WeakPolarHBondContact O-CD 3.27Å
58	M	95.7	Very high	93.9	Very high	103 Å²	103	86 Å²	86	51%	0.507	40%	0.402	S	S	.	.	H	α-helix	trans	-72.4	-35.5	176	-67	178.8	65.5	0	0	112.7	K54 F55 N56 P61 H62	K54-M58 HydrophobicContact CG-SD 4.32Å; K54-M58 WeakPolarHBondContact O-CG 3.46Å; K54-M58 PolarHBondContact O-N 2.81Å; F55-M58 HydrophobicContact CD1-SD 4.26Å; F55-M58 HydrophobicContact CE1-SD 4.36Å; F55-M58 CarbonylContact O-C 3.56Å; F55-M58 PolarHBondContact O-N 3.08Å; N56-M58 PolarHBondContact O-N 2.61Å; M58-P61 WeakPolarHBondContact O-CD 3.45Å; M58-P61 WeakPolarHBondContact O-CG 3.43Å; M58-H62 PolarHBondContact O-CD2 3.38Å; M58-H62 VanDerWaalsContact O-CD2 3.31Å
59	R	95	Very high	94.1	Very high	99 Å²	99	85.6 Å²	85.6	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-72.6	-34.8	177.7	-78.1	-173.1	-73.8	-107.9	9.2	112.8	F55 N56 H62 F63	F55-R59 WeakPolarHBondContact O-CB 3.49Å; F55-R59 WeakPolarHBondContact O-CG 3.29Å; F55-R59 PolarHBondContact O-N 3.49Å; N56-R59 PolarHBondContact O-N 2.78Å; N56-R59 VanDerWaalsContact O-N 3.14Å; N56-R59 PolarHBondContact OD1-NE 3.42Å; N56-R59 PolarHBondContact OD1-NH2 3.05Å; R59-H62 WeakPolarHBondContact O-CA 3.44Å; R59-H62 WeakPolarHBondContact O-CB 3.16Å; R59-H62 PolarHBondContact O-N 2.64Å; R59-F63 HydrophobicContact CB-CD2 4.02Å; R59-F63 HydrophobicContact CB-CE2 3.78Å; R59-F63 HydrophobicContact CB-CZ 4.45Å; R59-F63 HydrophobicContact CG-CE2 4.48Å; R59-F63 PolarHBondContact O-N 3.34Å
60	Q	93	Very high	94.5	Very high	105 Å²	105	84.9 Å²	84.9	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-46.8	-52.3	-176	-172.5	-179.7	-5.7	0	0	114.5	N56 H62 F63 E64	N56-Q60 PolarHBondContact O-N 2.87Å; Q60-H62 PolarHBondContact O-N 3.1Å; Q60-F63 PolarHBondContact O-N 3.43Å; Q60-F63 VanDerWaalsContact O-N 3.14Å; Q60-E64 HydrophobicContact CG-CG 4.47Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.42Å; Q60-E64 PolarHBondContact NE2-OE1 3Å; Q60-E64 WeakPolarHBondContact O-CG 3.41Å; Q60-E64 PolarHBondContact O-N 2.91Å
61	P	96.3	Very high	94.5	Very high	70 Å²	70	82 Å²	82	46%	0.455	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-29.9	178.5	24.5	-35.7	0	0	0	113.4	K57 M58 K65	K57-P61 WeakPolarHBondContact O-CD 3.27Å; M58-P61 WeakPolarHBondContact O-CD 3.45Å; M58-P61 WeakPolarHBondContact O-CG 3.43Å; P61-K65 WeakPolarHBondContact O-CB 3.34Å; P61-K65 PolarHBondContact O-N 3.29Å
62	H	96.9	Very high	94.6	Very high	141 Å²	141	84.6 Å²	84.6	65%	0.653	40%	0.397	S	S	*	.	H	α-helix	trans	-72.4	-40.6	174.9	-63.7	-72.6	0	0	0	111.5	M58 R59 Q60 K65 R66	M58-H62 PolarHBondContact O-CD2 3.38Å; M58-H62 VanDerWaalsContact O-CD2 3.31Å; R59-H62 WeakPolarHBondContact O-CA 3.44Å; R59-H62 WeakPolarHBondContact O-CB 3.16Å; R59-H62 PolarHBondContact O-N 2.64Å; Q60-H62 PolarHBondContact O-N 3.1Å; H62-K65 PolarHBondContact O-N 3.47Å; H62-R66 WeakPolarHBondContact O-CB 3.38Å; H62-R66 PolarHBondContact O-N 2.92Å
63	F	95.8	Very high	94.8	Very high	53 Å²	53	83.9 Å²	83.9	23%	0.232	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-45.4	173.2	-72.7	-41	0	0	0	112	R59 Q60 K65 R66 C67 W213	R59-F63 HydrophobicContact CB-CD2 4.02Å; R59-F63 HydrophobicContact CB-CE2 3.78Å; R59-F63 HydrophobicContact CB-CZ 4.45Å; R59-F63 HydrophobicContact CG-CE2 4.48Å; R59-F63 PolarHBondContact O-N 3.34Å; Q60-F63 PolarHBondContact O-N 3.43Å; Q60-F63 VanDerWaalsContact O-N 3.14Å; F63-K65 VanDerWaalsContact C-N 3.32Å; F63-K65 PolarHBondContact O-N 2.66Å; F63-R66 VanDerWaalsContact CD1-NH2 3.32Å; F63-R66 WeakPolarHBondContact O-CB 3.34Å; F63-R66 PolarHBondContact O-N 3.14Å; F63-C67 PolarHBondContact O-N 2.78Å; F63-C67 PolarHBondContact O-SG 3.31Å; F63-C67 VanDerWaalsContact O-SG 3.34Å; F63-W213 HydrophobicContact CB-CZ2 4.12Å; F63-W213 HydrophobicContact CD1-CZ2 4.04Å; F63-W213 HydrophobicContact CD2-CZ2 4.47Å; F63-W213 AromaticContact CG-CZ2 4Å; F63-W213 HydrophobicContact CG-CZ2 4Å; F63-W213 AromaticContact CZ-NE1 3.86Å
64	E	94.8	Very high	95	Very high	105 Å²	105	85.4 Å²	85.4	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-58.3	-44.9	175.3	-72.6	173.4	-171.5	0	0	111.3	Q60 R66 C67 E68	Q60-E64 HydrophobicContact CG-CG 4.47Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.42Å; Q60-E64 PolarHBondContact NE2-OE1 3Å; Q60-E64 WeakPolarHBondContact O-CG 3.41Å; Q60-E64 PolarHBondContact O-N 2.91Å; E64-R66 PolarHBondContact O-N 2.94Å; E64-C67 PolarHBondContact O-N 3.06Å; E64-E68 PolarHBondContact O-N 3.39Å
65	K	97	Very high	95	Very high	103 Å²	103	82.7 Å²	82.7	45%	0.448	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-41.8	177	-173.6	60.7	-176.4	175.1	0	112.2	P61 H62 F63 E68 L69	P61-K65 WeakPolarHBondContact O-CB 3.34Å; P61-K65 PolarHBondContact O-N 3.29Å; H62-K65 PolarHBondContact O-N 3.47Å; F63-K65 VanDerWaalsContact C-N 3.32Å; F63-K65 PolarHBondContact O-N 2.66Å; K65-E68 IonicContact NZ-OE1 2.8Å; K65-E68 IonicContact NZ-OE2 2.73Å; K65-E68 PolarHBondContact NZ-OE2 3.32Å; K65-E68 PolarHBondContact O-N 2.74Å; K65-L69 HydrophobicContact CG-CD1 4.41Å; K65-L69 WeakPolarHBondContact O-CG 3.41Å; K65-L69 PolarHBondContact O-N 3.49Å; K65-L69 VanDerWaalsContact O-N 3.1Å
66	R	97.4	Very high	95.2	Very high	52 Å²	52	78.6 Å²	78.6	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-61.9	-44.6	175.9	-172.9	-177.1	66	176.8	4.3	111	H62 F63 E64 E68 L69 I70 W213 P214 P216	H62-R66 WeakPolarHBondContact O-CB 3.38Å; H62-R66 PolarHBondContact O-N 2.92Å; F63-R66 VanDerWaalsContact CD1-NH2 3.32Å; F63-R66 WeakPolarHBondContact O-CB 3.34Å; F63-R66 PolarHBondContact O-N 3.14Å; E64-R66 PolarHBondContact O-N 2.94Å; R66-E68 VanDerWaalsContact C-N 3.35Å; R66-E68 PolarHBondContact O-N 2.99Å; R66-L69 PolarHBondContact O-N 2.88Å; R66-I70 HydrophobicContact CG-CD1 3.75Å; R66-I70 HydrophobicContact CG-CG1 4.37Å; R66-I70 WeakPolarHBondContact O-CB 3.42Å; R66-I70 WeakPolarHBondContact O-CG1 3.45Å; R66-I70 PolarHBondContact O-N 2.87Å; R66-W213 PolarHBondContact NH1-O 3.16Å; R66-W213 VanDerWaalsContact NH2-CD2 3.26Å; R66-W213 VanDerWaalsContact NH2-CE2 3.35Å; R66-W213 VanDerWaalsContact NH2-CZ3 3.3Å; R66-W213 PolarHBondContact NH2-O 2.83Å; R66-P214 PolarHBondContact NH1-O 3.29Å; R66-P216 VanDerWaalsContact NH1-CD 3.34Å
67	C	95.2	Very high	95.6	Very high	9 Å²	9	77.3 Å²	77.3	6%	0.061	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-43.8	174.7	-71.8	0	0	0	0	112.3	F63 E64 L69 I70 S71 K104	F63-C67 PolarHBondContact O-N 2.78Å; F63-C67 PolarHBondContact O-SG 3.31Å; F63-C67 VanDerWaalsContact O-SG 3.34Å; E64-C67 PolarHBondContact O-N 3.06Å; C67-L69 VanDerWaalsContact C-N 3.31Å; C67-L69 PolarHBondContact O-N 2.77Å; C67-I70 PolarHBondContact O-N 3.07Å; C67-S71 WeakPolarHBondContact O-CB 3.33Å; C67-S71 PolarHBondContact O-N 2.83Å; C67-K104 HydrophobicContact CB-CD 4.26Å; C67-K104 HydrophobicContact CB-CG 4.49Å
68	E	95	Very high	95.8	Very high	85 Å²	85	70.2 Å²	70.2	40%	0.397	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-40.9	177.7	-164.9	-143.8	138.5	0	0	111.6	E64 K65 R66 S71 K72	E64-E68 PolarHBondContact O-N 3.39Å; K65-E68 IonicContact NZ-OE1 2.8Å; K65-E68 IonicContact NZ-OE2 2.73Å; K65-E68 PolarHBondContact NZ-OE2 3.32Å; K65-E68 PolarHBondContact O-N 2.74Å; R66-E68 VanDerWaalsContact C-N 3.35Å; R66-E68 PolarHBondContact O-N 2.99Å; E68-S71 PolarHBondContact O-OG 3.19Å; E68-K72 WeakPolarHBondContact O-CE 3.42Å; E68-K72 IonicContact OE1-NZ 2.87Å; E68-K72 PolarHBondContact OE1-NZ 3.25Å
69	L	96.9	Very high	95.8	Very high	89 Å²	89	67.4 Å²	67.4	47%	0.466	34%	0.336	S	S	.	.	H	α-helix	trans	-69.8	-48.9	177.6	-67.8	170.4	0	0	0	111.9	K65 R66 C67 S71 K72	K65-L69 HydrophobicContact CG-CD1 4.41Å; K65-L69 WeakPolarHBondContact O-CG 3.41Å; K65-L69 PolarHBondContact O-N 3.49Å; K65-L69 VanDerWaalsContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 2.88Å; C67-L69 VanDerWaalsContact C-N 3.31Å; C67-L69 PolarHBondContact O-N 2.77Å; L69-S71 VanDerWaalsContact C-N 3.25Å; L69-S71 PolarHBondContact O-N 3.34Å; L69-K72 WeakPolarHBondContact O-CB 3.4Å; L69-K72 PolarHBondContact O-N 3.4Å; L69-K72 VanDerWaalsContact O-N 3.11Å
70	I	96.8	Very high	95.9	Very high	11 Å²	11	62.7 Å²	62.7	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-39.4	178.9	-74.3	171.1	0	0	0	111.2	R66 C67 K72 I73 F76 W77 P216	R66-I70 HydrophobicContact CG-CD1 3.75Å; R66-I70 HydrophobicContact CG-CG1 4.37Å; R66-I70 WeakPolarHBondContact O-CB 3.42Å; R66-I70 WeakPolarHBondContact O-CG1 3.45Å; R66-I70 PolarHBondContact O-N 2.87Å; C67-I70 PolarHBondContact O-N 3.07Å; I70-K72 PolarHBondContact O-N 3.14Å; I70-I73 PolarHBondContact O-N 2.85Å; I70-F76 HydrophobicContact CB-CD1 4.32Å; I70-F76 HydrophobicContact CD1-CD1 4.13Å; I70-F76 HydrophobicContact CD1-CE1 3.55Å; I70-F76 HydrophobicContact CD1-CZ 3.85Å; I70-F76 HydrophobicContact CG1-CD1 4.08Å; I70-F76 HydrophobicContact CG1-CD2 4.46Å; I70-F76 HydrophobicContact CG1-CE1 3.83Å; I70-F76 HydrophobicContact CG1-CE2 4.23Å; I70-F76 HydrophobicContact CG1-CG 4.4Å; I70-F76 HydrophobicContact CG1-CZ 3.92Å; I70-F76 HydrophobicContact CG2-CB 3.96Å; I70-F76 HydrophobicContact CG2-CD1 3.34Å; I70-F76 HydrophobicContact CG2-CD2 4.42Å; I70-F76 HydrophobicContact CG2-CE1 3.92Å; I70-F76 HydrophobicContact CG2-CG 3.64Å; I70-W77 HydrophobicContact CD1-CZ2 4.03Å; I70-W77 HydrophobicContact CG2-CZ2 4.31Å; I70-P216 HydrophobicContact CD1-CG 4.17Å
71	S	93	Very high	96.1	Very high	59 Å²	59	57.7 Å²	57.7	41%	0.413	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.5	-179.5	74.2	0	0	0	0	114.6	C67 E68 L69	C67-S71 WeakPolarHBondContact O-CB 3.33Å; C67-S71 PolarHBondContact O-N 2.83Å; E68-S71 PolarHBondContact O-OG 3.19Å; L69-S71 VanDerWaalsContact C-N 3.25Å; L69-S71 PolarHBondContact O-N 3.34Å
72	K	94.8	Very high	96	Very high	133 Å²	133	57.2 Å²	57.2	58%	0.578	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.9	178	-59.7	170.7	-170.7	169.1	0	112.8	E68 L69 I70	E68-K72 WeakPolarHBondContact O-CE 3.42Å; E68-K72 IonicContact OE1-NZ 2.87Å; E68-K72 PolarHBondContact OE1-NZ 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.4Å; L69-K72 PolarHBondContact O-N 3.4Å; L69-K72 VanDerWaalsContact O-N 3.11Å; I70-K72 PolarHBondContact O-N 3.14Å
73	I	95.7	Very high	96	Very high	68 Å²	68	51.8 Å²	51.8	35%	0.349	26%	0.263	S	S	.	.	S	Bend	trans	-101.7	113.3	-179.7	-56	176.8	0	0	0	108.4	I70 F76 Y220	I70-I73 PolarHBondContact O-N 2.85Å; I73-F76 HydrophobicContact CB-CB 4.15Å; I73-F76 HydrophobicContact CB-CD2 4.36Å; I73-F76 HydrophobicContact CD1-CD2 4.12Å; I73-F76 HydrophobicContact CG2-CB 4.1Å; I73-F76 HydrophobicContact CG2-CD2 4.18Å; I73-Y220 HydrophobicContact CG2-CE2 4.24Å; I73-Y220 WeakPolarHBondContact CG2-OH 3.39Å
74	P	94.8	Very high	95.9	Very high	100 Å²	100	49.5 Å²	49.5	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	142.7	176.6	-22.8	34	0	0	0	111.9	F76	P74-F76 PolarHBondContact O-N 3.4Å
75	N	95.2	Very high	95.8	Very high	72 Å²	72	47.1 Å²	47.1	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	13	175.8	-54.6	-31.6	0	0	0	115.9	W77 L78 T79	N75-W77 VanDerWaalsContact C-N 3.34Å; N75-W77 PolarHBondContact O-N 2.89Å; N75-L78 HydrophobicContact CB-CB 4.34Å; N75-L78 HydrophobicContact CB-CD2 4.42Å; N75-L78 WeakPolarHBondContact O-CB 3.46Å; N75-L78 PolarHBondContact O-N 2.81Å; N75-L78 VanDerWaalsContact O-N 3.11Å; N75-T79 PolarHBondContact O-N 2.75Å; N75-T79 PolarHBondContact O-OG1 3.02Å
76	F	97.6	Very high	95.5	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.022	24%	0.244	C	C	.	.	H	α-helix	trans	-51	-51.6	-176.3	-178.7	-85.3	0	0	0	112.8	I70 I73 P74 T79 T80 P216 L217 Y220	I70-F76 HydrophobicContact CB-CD1 4.32Å; I70-F76 HydrophobicContact CD1-CD1 4.13Å; I70-F76 HydrophobicContact CD1-CE1 3.55Å; I70-F76 HydrophobicContact CD1-CZ 3.85Å; I70-F76 HydrophobicContact CG1-CD1 4.08Å; I70-F76 HydrophobicContact CG1-CD2 4.46Å; I70-F76 HydrophobicContact CG1-CE1 3.83Å; I70-F76 HydrophobicContact CG1-CE2 4.23Å; I70-F76 HydrophobicContact CG1-CG 4.4Å; I70-F76 HydrophobicContact CG1-CZ 3.92Å; I70-F76 HydrophobicContact CG2-CB 3.96Å; I70-F76 HydrophobicContact CG2-CD1 3.34Å; I70-F76 HydrophobicContact CG2-CD2 4.42Å; I70-F76 HydrophobicContact CG2-CE1 3.92Å; I70-F76 HydrophobicContact CG2-CG 3.64Å; I73-F76 HydrophobicContact CB-CB 4.15Å; I73-F76 HydrophobicContact CB-CD2 4.36Å; I73-F76 HydrophobicContact CD1-CD2 4.12Å; I73-F76 HydrophobicContact CG2-CB 4.1Å; I73-F76 HydrophobicContact CG2-CD2 4.18Å; P74-F76 PolarHBondContact O-N 3.4Å; F76-T79 PolarHBondContact O-N 2.89Å; F76-T80 WeakPolarHBondContact O-CB 3.44Å; F76-T80 PolarHBondContact O-N 2.8Å; F76-T80 PolarHBondContact O-OG1 3.46Å; F76-P216 HydrophobicContact CE1-CB 3.95Å; F76-P216 HydrophobicContact CE1-CG 4.12Å; F76-P216 HydrophobicContact CZ-CB 4.29Å; F76-P216 HydrophobicContact CZ-CG 4.31Å; F76-L217 HydrophobicContact CE2-CD1 4.1Å; F76-L217 HydrophobicContact CZ-CD1 4.48Å; F76-Y220 HydrophobicContact CB-CD2 4.3Å; F76-Y220 HydrophobicContact CB-CE2 4.25Å; F76-Y220 AromaticContact CD2-CD1 3.92Å; F76-Y220 HydrophobicContact CD2-CD1 3.92Å; F76-Y220 AromaticContact CD2-CD2 3.37Å; F76-Y220 HydrophobicContact CD2-CD2 3.37Å; F76-Y220 HydrophobicContact CD2-CE1 4.18Å; F76-Y220 AromaticContact CD2-CE2 3.67Å; F76-Y220 HydrophobicContact CD2-CE2 3.67Å; F76-Y220 AromaticContact CD2-CG 3.51Å; F76-Y220 HydrophobicContact CD2-CG 3.51Å; F76-Y220 AromaticContact CE2-CD1 3.68Å; F76-Y220 HydrophobicContact CE2-CD1 3.68Å; F76-Y220 AromaticContact CE2-CD2 3.75Å; F76-Y220 HydrophobicContact CE2-CD2 3.75Å; F76-Y220 HydrophobicContact CE2-CE1 4.31Å; F76-Y220 HydrophobicContact CE2-CE2 4.37Å; F76-Y220 AromaticContact CE2-CG 3.36Å; F76-Y220 HydrophobicContact CE2-CG 3.36Å; F76-Y220 AromaticContact CG-CD2 3.9Å; F76-Y220 HydrophobicContact CG-CD2 3.9Å; F76-Y220 HydrophobicContact CG-CE2 4.24Å; F76-Y220 HydrophobicContact CG-CG 4.37Å; F76-Y220 HydrophobicContact CZ-CG 4.11Å
77	W	97.8	Very high	95.2	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.011	24%	0.235	C	C	.	.	H	α-helix	trans	-70.7	-34.7	-179.1	-69.1	108.5	0	0	0	113.2	I70 N75 T80 F81 L102 V105 I212 W213 P216	I70-W77 HydrophobicContact CD1-CZ2 4.03Å; I70-W77 HydrophobicContact CG2-CZ2 4.31Å; N75-W77 VanDerWaalsContact C-N 3.34Å; N75-W77 PolarHBondContact O-N 2.89Å; W77-T80 HydrophobicContact CE3-CG2 4.42Å; W77-T80 PolarHBondContact O-N 2.8Å; W77-F81 HydrophobicContact CE3-CE1 4.14Å; W77-F81 WeakPolarHBondContact O-CB 3.24Å; W77-F81 VanDerWaalsContact O-CG 3.27Å; W77-F81 WeakPolarHBondContact O-CG 3.29Å; W77-F81 PolarHBondContact O-N 2.96Å; W77-L102 HydrophobicContact CB-CD2 3.63Å; W77-L102 HydrophobicContact CB-CG 3.97Å; W77-L102 HydrophobicContact CG-CD2 4.3Å; W77-L102 HydrophobicContact CG-CG 4.38Å; W77-V105 HydrophobicContact CB-CG2 4.31Å; W77-V105 HydrophobicContact CD2-CB 3.78Å; W77-V105 HydrophobicContact CD2-CG2 3.53Å; W77-V105 HydrophobicContact CE3-CB 3.9Å; W77-V105 HydrophobicContact CE3-CG2 3.76Å; W77-V105 HydrophobicContact CG-CB 4.45Å; W77-V105 HydrophobicContact CG-CG2 3.78Å; W77-V105 HydrophobicContact CH2-CB 3.91Å; W77-V105 HydrophobicContact CZ2-CB 3.79Å; W77-V105 HydrophobicContact CZ2-CG2 4.48Å; W77-V105 HydrophobicContact CZ3-CB 3.96Å; W77-V105 HydrophobicContact CZ3-CG2 4.32Å; W77-I212 HydrophobicContact CZ3-CG2 4.13Å; W77-W213 AromaticContact CH2-CE3 3.91Å; W77-W213 HydrophobicContact CH2-CE3 3.91Å; W77-W213 AromaticContact CH2-CZ3 3.9Å; W77-W213 HydrophobicContact CH2-CZ3 3.9Å; W77-W213 HydrophobicContact CZ2-CZ3 4.12Å; W77-P216 HydrophobicContact CH2-CB 3.86Å; W77-P216 HydrophobicContact CH2-CG 3.85Å; W77-P216 HydrophobicContact CZ3-CB 3.64Å; W77-P216 HydrophobicContact CZ3-CG 4.18Å
78	L	96.9	Very high	95	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-52.2	173.5	171.7	62.7	0	0	0	110.5	N75 T80 F81 I82 E96 L99 K100	N75-L78 HydrophobicContact CB-CB 4.34Å; N75-L78 HydrophobicContact CB-CD2 4.42Å; N75-L78 WeakPolarHBondContact O-CB 3.46Å; N75-L78 PolarHBondContact O-N 2.81Å; N75-L78 VanDerWaalsContact O-N 3.11Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 2.83Å; L78-F81 PolarHBondContact O-N 2.87Å; L78-I82 HydrophobicContact CD1-CD1 3.57Å; L78-I82 HydrophobicContact CD1-CG1 4.02Å; L78-I82 HydrophobicContact CG-CD1 3.8Å; L78-I82 WeakPolarHBondContact O-CG1 3.21Å; L78-I82 PolarHBondContact O-N 2.65Å; L78-E96 HydrophobicContact CD1-CB 4.1Å; L78-E96 HydrophobicContact CD1-CG 4.18Å; L78-L99 HydrophobicContact CB-CB 4.46Å; L78-L99 HydrophobicContact CD1-CB 3.76Å; L78-L99 HydrophobicContact CD1-CD1 4.36Å; L78-K100 HydrophobicContact CD2-CB 4.47Å; L78-K100 HydrophobicContact CD2-CG 3.52Å
79	T	96.5	Very high	94.7	Very high	45 Å²	45	46.8 Å²	46.8	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-42.2	177.4	-59.3	0	0	0	0	111.3	N75 F76 F81 I82 N83 Y220	N75-T79 PolarHBondContact O-N 2.75Å; N75-T79 PolarHBondContact O-OG1 3.02Å; F76-T79 PolarHBondContact O-N 2.89Å; T79-F81 VanDerWaalsContact C-N 3.31Å; T79-F81 PolarHBondContact O-N 3.43Å; T79-I82 PolarHBondContact O-N 3.45Å; T79-N83 WeakPolarHBondContact O-CB 3.28Å; T79-N83 PolarHBondContact O-N 3.32Å; T79-N83 PolarHBondContact O-OD1 2.89Å; T79-Y220 HydrophobicContact CG2-CD2 3.94Å; T79-Y220 HydrophobicContact CG2-CE2 4.22Å
80	T	97.1	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-44	175.6	-57.4	0	0	0	0	111.6	F76 W77 L78 H84 I212 P216	F76-T80 WeakPolarHBondContact O-CB 3.44Å; F76-T80 PolarHBondContact O-N 2.8Å; F76-T80 PolarHBondContact O-OG1 3.46Å; W77-T80 HydrophobicContact CE3-CG2 4.42Å; W77-T80 PolarHBondContact O-N 2.8Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 2.83Å; T80-H84 PolarHBondContact O-N 2.99Å; T80-I212 HydrophobicContact CG2-CG2 3.71Å; T80-P216 HydrophobicContact CG2-CB 3.92Å
81	F	96.4	Very high	94.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-75.1	-37.6	-178.5	-68.4	-7.2	0	0	0	112.8	W77 L78 T79 N83 H84 L87 S88 L91 L99 L102 V105 F121 I212	W77-F81 HydrophobicContact CE3-CE1 4.14Å; W77-F81 WeakPolarHBondContact O-CB 3.24Å; W77-F81 VanDerWaalsContact O-CG 3.27Å; W77-F81 WeakPolarHBondContact O-CG 3.29Å; W77-F81 PolarHBondContact O-N 2.96Å; L78-F81 PolarHBondContact O-N 2.87Å; T79-F81 VanDerWaalsContact C-N 3.31Å; T79-F81 PolarHBondContact O-N 3.43Å; F81-N83 VanDerWaalsContact C-N 3.28Å; F81-N83 PolarHBondContact O-N 2.79Å; F81-H84 PolarHBondContact O-N 3.24Å; F81-L87 HydrophobicContact CB-CB 4.44Å; F81-L87 HydrophobicContact CB-CD2 3.92Å; F81-L87 HydrophobicContact CD1-CD2 3.43Å; F81-L87 VanDerWaalsContact CD1-CD2 3.43Å; F81-L87 HydrophobicContact CD2-CD2 4.14Å; F81-L87 HydrophobicContact CE1-CD2 3.87Å; F81-L87 HydrophobicContact CG-CD2 3.58Å; F81-L87 HydrophobicContact CZ-CD2 4.39Å; F81-L87 WeakPolarHBondContact O-CB 3.37Å; F81-S88 PolarHBondContact O-N 3.1Å; F81-L91 HydrophobicContact CB-CD1 3.98Å; F81-L99 HydrophobicContact CD2-CD1 4.23Å; F81-L99 HydrophobicContact CD2-CD2 4.37Å; F81-L99 HydrophobicContact CE2-CD2 4.41Å; F81-L102 HydrophobicContact CE2-CD2 3.94Å; F81-V105 HydrophobicContact CZ-CG2 4.02Å; F81-F121 AromaticContact CE2-CE1 3.88Å; F81-F121 HydrophobicContact CE2-CE1 3.88Å; F81-F121 AromaticContact CZ-CE1 3.87Å; F81-F121 HydrophobicContact CZ-CE1 3.87Å; F81-I212 HydrophobicContact CD1-CD1 4.19Å; F81-I212 HydrophobicContact CE1-CD1 4.23Å; F81-I212 HydrophobicContact CE1-CG2 4.23Å
82	I	95.1	Very high	94.1	Very high	60 Å²	60	43.8 Å²	43.8	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-35.2	174.7	-71.6	171.9	0	0	0	111.3	L78 T79 H84 S88 L91 E96	L78-I82 HydrophobicContact CD1-CD1 3.57Å; L78-I82 HydrophobicContact CD1-CG1 4.02Å; L78-I82 HydrophobicContact CG-CD1 3.8Å; L78-I82 WeakPolarHBondContact O-CG1 3.21Å; L78-I82 PolarHBondContact O-N 2.65Å; T79-I82 PolarHBondContact O-N 3.45Å; I82-H84 VanDerWaalsContact C-N 3.31Å; I82-S88 WeakPolarHBondContact O-CB 3.43Å; I82-L91 HydrophobicContact CG1-CD1 3.93Å; I82-E96 HydrophobicContact CD1-CG 4.14Å
83	N	95.1	Very high	94	Very high	27 Å²	27	41 Å²	41	14%	0.144	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.3	-177.7	-64.5	-0.5	0	0	0	113.3	T79 F81 Y219 P223	T79-N83 WeakPolarHBondContact O-CB 3.28Å; T79-N83 PolarHBondContact O-N 3.32Å; T79-N83 PolarHBondContact O-OD1 2.89Å; F81-N83 VanDerWaalsContact C-N 3.28Å; F81-N83 PolarHBondContact O-N 2.79Å; N83-Y219 WeakPolarHBondContact CB-O 3.46Å; N83-Y219 PolarHBondContact ND2-O 2.82Å; N83-P223 WeakPolarHBondContact ND2-CA 3.2Å
84	H	94.9	Very high	93.9	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.023	23%	0.232	C	C	.	.	S	Bend	trans	-94.9	122.1	179.5	-179	-70.7	0	0	0	109.9	T80 F81 I82 Q86 L87 S88 V207 D211 I212 Y219	T80-H84 PolarHBondContact O-N 2.99Å; F81-H84 PolarHBondContact O-N 3.24Å; I82-H84 VanDerWaalsContact C-N 3.31Å; H84-Q86 VanDerWaalsContact C-N 3.29Å; H84-Q86 PolarHBondContact ND1-N 3.37Å; H84-Q86 PolarHBondContact O-N 2.69Å; H84-Q86 VanDerWaalsContact O-N 3.08Å; H84-L87 HydrophobicContact CB-CB 4.16Å; H84-L87 PolarHBondContact ND1-N 2.86Å; H84-L87 PolarHBondContact O-N 3.04Å; H84-S88 PolarHBondContact O-N 2.71Å; H84-S88 PolarHBondContact O-OG 3.36Å; H84-V207 WeakPolarHBondContact CE1-CG1 3.49Å; H84-V207 WeakPolarHBondContact NE2-CG1 3.14Å; H84-D211 IonicContact CD2-OD2 3.14Å; H84-D211 IonicContact NE2-OD2 2.75Å; H84-D211 PolarHBondContact NE2-OD2 2.8Å; H84-D211 VanDerWaalsContact NE2-OD2 3.14Å; H84-I212 HydrophobicContact CB-CD1 4.32Å; H84-I212 WeakPolarHBondContact CD2-CG1 3.5Å; H84-Y219 HydrophobicContact CB-CD1 4.29Å; H84-Y219 HydrophobicContact CB-CG 4.34Å; H84-Y219 AromaticContact CD2-CD2 3.9Å; H84-Y219 AromaticContact CD2-CE1 3.77Å; H84-Y219 AromaticContact CD2-CE2 3.45Å; H84-Y219 VanDerWaalsContact CD2-CE2 3.45Å; H84-Y219 WeakPolarHBondContact CD2-CE2 3.46Å; H84-Y219 AromaticContact CD2-CZ 3.4Å; H84-Y219 AromaticContact NE2-CZ 3.93Å
85	P	91.9	Very high	93.9	Very high	54 Å²	54	35.9 Å²	35.9	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-53.4	-38.9	-169.5	-30	35	0	0	0	115.1	S88	P85-S88 PolarHBondContact O-OG 3.43Å
86	Q	90.6	Very high	94	Very high	82 Å²	82	35.5 Å²	35.5	38%	0.383	20%	0.197	S	C	.	.	H	α-helix	trans	-83	-24.1	178.6	-60.2	-168.7	-17.6	0	0	114.6	H84 L90 E203	H84-Q86 VanDerWaalsContact C-N 3.29Å; H84-Q86 PolarHBondContact ND1-N 3.37Å; H84-Q86 PolarHBondContact O-N 2.69Å; H84-Q86 VanDerWaalsContact O-N 3.08Å; Q86-L90 WeakPolarHBondContact O-CG 3.36Å; Q86-E203 PolarHBondContact NE2-OE1 2.65Å
87	L	91.7	Very high	93.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-90.1	-34.3	-176.8	-92.2	69.7	0	0	0	111.1	F81 H84 D89 L90 L91 L204 V207 I208 I212	F81-L87 HydrophobicContact CB-CB 4.44Å; F81-L87 HydrophobicContact CB-CD2 3.92Å; F81-L87 HydrophobicContact CD1-CD2 3.43Å; F81-L87 VanDerWaalsContact CD1-CD2 3.43Å; F81-L87 HydrophobicContact CD2-CD2 4.14Å; F81-L87 HydrophobicContact CE1-CD2 3.87Å; F81-L87 HydrophobicContact CG-CD2 3.58Å; F81-L87 HydrophobicContact CZ-CD2 4.39Å; F81-L87 WeakPolarHBondContact O-CB 3.37Å; H84-L87 HydrophobicContact CB-CB 4.16Å; H84-L87 PolarHBondContact ND1-N 2.86Å; H84-L87 PolarHBondContact O-N 3.04Å; L87-D89 VanDerWaalsContact C-N 3.25Å; L87-D89 PolarHBondContact O-N 2.81Å; L87-L90 WeakPolarHBondContact O-CB 3.49Å; L87-L90 PolarHBondContact O-N 3.13Å; L87-L91 WeakPolarHBondContact O-CG 3.34Å; L87-L91 PolarHBondContact O-N 2.87Å; L87-L204 HydrophobicContact CD1-CD1 3.48Å; L87-L204 VanDerWaalsContact CD1-CD1 3.48Å; L87-L204 HydrophobicContact CD2-CD1 4.31Å; L87-L204 HydrophobicContact CG-CD1 3.72Å; L87-V207 HydrophobicContact CD1-CG1 3.61Å; L87-I208 HydrophobicContact CD2-CG1 4.41Å; L87-I212 HydrophobicContact CD1-CD1 3.8Å; L87-I212 HydrophobicContact CD2-CD1 3.48Å; L87-I212 VanDerWaalsContact CD2-CD1 3.48Å; L87-I212 HydrophobicContact CG-CD1 4.25Å
88	S	91.7	Very high	93.9	Very high	39 Å²	39	37 Å²	37	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-51	-47.7	176.4	56.8	0	0	0	0	111.3	F81 I82 H84 P85 L90 L91	F81-S88 PolarHBondContact O-N 3.1Å; I82-S88 WeakPolarHBondContact O-CB 3.43Å; H84-S88 PolarHBondContact O-N 2.71Å; H84-S88 PolarHBondContact O-OG 3.36Å; P85-S88 PolarHBondContact O-OG 3.43Å; S88-L90 PolarHBondContact O-N 2.92Å; S88-L91 PolarHBondContact O-N 2.81Å; S88-L91 VanDerWaalsContact O-N 3.16Å
89	D	88.9	Confident	93.9	Very high	121 Å²	121	36.6 Å²	36.6	65%	0.647	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.1	178.7	-75.1	-9.7	0	0	0	114.1	L87 Q186	L87-D89 VanDerWaalsContact C-N 3.25Å; L87-D89 PolarHBondContact O-N 2.81Å; D89-Q186 PolarHBondContact O-NE2 3.33Å; D89-Q186 PolarHBondContact O-OE1 3.07Å
90	L	87.7	Confident	93.9	Very high	71 Å²	71	39 Å²	39	37%	0.372	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-17.9	178.2	-61.7	176.6	0	0	0	112.7	Q86 L87 S88 Q186 L204	Q86-L90 WeakPolarHBondContact O-CG 3.36Å; L87-L90 WeakPolarHBondContact O-CB 3.49Å; L87-L90 PolarHBondContact O-N 3.13Å; S88-L90 PolarHBondContact O-N 2.92Å; L90-Q186 PolarHBondContact O-NE2 2.93Å; L90-L204 HydrophobicContact CD1-CD1 4.02Å; L90-L204 HydrophobicContact CD1-CD2 4.03Å
91	L	92.5	Very high	93.9	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	22%	0.222	C	C	.	.			trans	-85.5	123.3	-175.3	-63.5	-174.8	0	0	0	112	F81 I82 L87 S88 D95 L99 Q186 F189	F81-L91 HydrophobicContact CB-CD1 3.98Å; I82-L91 HydrophobicContact CG1-CD1 3.93Å; L87-L91 WeakPolarHBondContact O-CG 3.34Å; L87-L91 PolarHBondContact O-N 2.87Å; S88-L91 PolarHBondContact O-N 2.81Å; S88-L91 VanDerWaalsContact O-N 3.16Å; L91-D95 HydrophobicContact CD2-CB 4.14Å; L91-L99 HydrophobicContact CD1-CD1 3.93Å; L91-L99 HydrophobicContact CD2-CD1 3.45Å; L91-L99 VanDerWaalsContact CD2-CD1 3.45Å; L91-L99 HydrophobicContact CG-CD1 4.34Å; L91-Q186 PolarHBondContact O-NE2 2.83Å; L91-F189 HydrophobicContact CD2-CB 3.8Å; L91-F189 HydrophobicContact CD2-CD2 4.1Å; L91-F189 HydrophobicContact CD2-CG 3.98Å
92	T	93	Very high	94	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	22%	0.224	C	C	.	.			trans	-85.5	165.3	167.1	67.6	0	0	0	0	111.5	N94 D95 E96 D183 Q186	T92-N94 PolarHBondContact O-N 3.02Å; T92-D95 WeakPolarHBondContact CB-OD2 3.34Å; T92-D95 WeakPolarHBondContact CG2-OD2 3.15Å; T92-D95 PolarHBondContact N-OD2 3.04Å; T92-D95 WeakPolarHBondContact O-CB 3.5Å; T92-D95 PolarHBondContact O-N 3.26Å; T92-D95 PolarHBondContact OG1-N 2.83Å; T92-D95 PolarHBondContact OG1-OD2 3.06Å; T92-E96 PolarHBondContact O-N 2.79Å; T92-D183 WeakPolarHBondContact CB-OD1 3.21Å; T92-Q186 HydrophobicContact CG2-CB 4.11Å; T92-Q186 HydrophobicContact CG2-CG 4.29Å
93	S	92.8	Very high	94	Very high	74 Å²	74	42.3 Å²	42.3	52%	0.517	23%	0.226	S	C	.	.	H	α-helix	trans	-59.8	-31.2	176.2	-73	0	0	0	0	112.8	S97 D183	S93-S97 PolarHBondContact O-N 3.13Å; S93-S97 PolarHBondContact O-OG 3.42Å; S93-D183 PolarHBondContact N-OD1 3.37Å
94	N	94	Very high	94	Very high	61 Å²	61	43.7 Å²	43.7	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-72.8	-39.9	173.8	-64.5	-54.4	0	0	0	111.4	T92 E96 S97 V98 W128 L161 D183	T92-N94 PolarHBondContact O-N 3.02Å; N94-E96 VanDerWaalsContact C-N 3.35Å; N94-E96 PolarHBondContact O-N 2.96Å; N94-S97 WeakPolarHBondContact O-CA 3.26Å; N94-S97 WeakPolarHBondContact O-CB 3.16Å; N94-S97 PolarHBondContact O-N 3.04Å; N94-V98 WeakPolarHBondContact O-CG2 3.29Å; N94-V98 PolarHBondContact O-N 3.02Å; N94-W128 HydrophobicContact CB-CH2 4.35Å; N94-L161 HydrophobicContact CB-CD1 4.03Å; N94-L161 HydrophobicContact CB-CD2 3.72Å; N94-D183 PolarHBondContact ND2-OD2 2.85Å
95	D	95.3	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-46.7	177.4	-63	-40.3	0	0	0	111.2	L91 T92 S97 V98 L99 S188 F189 F190	L91-D95 HydrophobicContact CD2-CB 4.14Å; T92-D95 WeakPolarHBondContact CB-OD2 3.34Å; T92-D95 WeakPolarHBondContact CG2-OD2 3.15Å; T92-D95 PolarHBondContact N-OD2 3.04Å; T92-D95 WeakPolarHBondContact O-CB 3.5Å; T92-D95 PolarHBondContact O-N 3.26Å; T92-D95 PolarHBondContact OG1-N 2.83Å; T92-D95 PolarHBondContact OG1-OD2 3.06Å; D95-S97 PolarHBondContact O-N 3.43Å; D95-V98 PolarHBondContact O-N 2.75Å; D95-L99 WeakPolarHBondContact O-CB 3.39Å; D95-L99 VanDerWaalsContact O-CG 3.3Å; D95-L99 WeakPolarHBondContact O-CG 3.47Å; D95-L99 PolarHBondContact O-N 3.46Å; D95-S188 WeakPolarHBondContact OD1-CB 3.4Å; D95-S188 PolarHBondContact OD1-OG 3.03Å; D95-S188 WeakPolarHBondContact OD2-CA 3.18Å; D95-F189 HydrophobicContact CB-CB 4.24Å; D95-F189 PolarHBondContact OD2-N 3.26Å; D95-F190 HydrophobicContact CB-CE2 4.35Å; D95-F190 VanDerWaalsContact OD1-CD2 3.22Å; D95-F190 WeakPolarHBondContact OD1-CD2 3.46Å
96	E	95.9	Very high	94.3	Very high	65 Å²	65	42.5 Å²	42.5	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-54.7	-40.7	173.9	-68.9	-177.8	-142	0	0	111.9	L78 I82 T92 N94 V98 L99 K100	L78-E96 HydrophobicContact CD1-CB 4.1Å; L78-E96 HydrophobicContact CD1-CG 4.18Å; I82-E96 HydrophobicContact CD1-CG 4.14Å; T92-E96 PolarHBondContact O-N 2.79Å; N94-E96 VanDerWaalsContact C-N 3.35Å; N94-E96 PolarHBondContact O-N 2.96Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 3.27Å; E96-L99 PolarHBondContact O-N 2.84Å; E96-K100 WeakPolarHBondContact O-CG 3.44Å; E96-K100 PolarHBondContact O-N 2.77Å
97	S	96.4	Very high	94.6	Very high	39 Å²	39	39.2 Å²	39.2	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-66.9	-31.5	179.2	-61.7	0	0	0	0	112.7	S93 N94 D95	S93-S97 PolarHBondContact O-N 3.13Å; S93-S97 PolarHBondContact O-OG 3.42Å; N94-S97 WeakPolarHBondContact O-CA 3.26Å; N94-S97 WeakPolarHBondContact O-CB 3.16Å; N94-S97 PolarHBondContact O-N 3.04Å; D95-S97 PolarHBondContact O-N 3.43Å
98	V	97.2	Very high	94.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-74.5	-45.1	170.5	-168.1	0	0	0	0	111	N94 D95 E96 K100 H101 F123 W128 F129 L161 F190	N94-V98 WeakPolarHBondContact O-CG2 3.29Å; N94-V98 PolarHBondContact O-N 3.02Å; D95-V98 PolarHBondContact O-N 2.75Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 3.27Å; V98-K100 PolarHBondContact O-N 2.89Å; V98-H101 WeakPolarHBondContact O-CB 3.42Å; V98-H101 PolarHBondContact O-N 3.48Å; V98-F123 HydrophobicContact CG1-CE1 4.19Å; V98-W128 HydrophobicContact CB-CG 4.31Å; V98-W128 HydrophobicContact CG1-CB 4.2Å; V98-W128 HydrophobicContact CG1-CG 4.13Å; V98-W128 HydrophobicContact CG2-CB 4.24Å; V98-W128 HydrophobicContact CG2-CD2 3.55Å; V98-W128 HydrophobicContact CG2-CE3 3.93Å; V98-W128 HydrophobicContact CG2-CG 3.66Å; V98-W128 HydrophobicContact CG2-CZ2 4.4Å; V98-F129 HydrophobicContact CG1-CD1 4.37Å; V98-F129 HydrophobicContact CG1-CE1 3.52Å; V98-F129 HydrophobicContact CG1-CZ 4.05Å; V98-L161 HydrophobicContact CG2-CD1 3.55Å; V98-F190 HydrophobicContact CB-CE2 3.63Å; V98-F190 HydrophobicContact CB-CZ 3.6Å; V98-F190 HydrophobicContact CG1-CE1 4.17Å; V98-F190 HydrophobicContact CG1-CE2 3.86Å; V98-F190 HydrophobicContact CG1-CZ 3.37Å; V98-F190 HydrophobicContact CG2-CE2 3.76Å; V98-F190 HydrophobicContact CG2-CZ 4.17Å
99	L	97.3	Very high	94.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-19.2	-175.7	-72.8	173.2	0	0	0	113.3	L78 F81 L91 D95 E96 H101 L102 F123 F190	L78-L99 HydrophobicContact CB-CB 4.46Å; L78-L99 HydrophobicContact CD1-CB 3.76Å; L78-L99 HydrophobicContact CD1-CD1 4.36Å; F81-L99 HydrophobicContact CD2-CD1 4.23Å; F81-L99 HydrophobicContact CD2-CD2 4.37Å; F81-L99 HydrophobicContact CE2-CD2 4.41Å; L91-L99 HydrophobicContact CD1-CD1 3.93Å; L91-L99 HydrophobicContact CD2-CD1 3.45Å; L91-L99 VanDerWaalsContact CD2-CD1 3.45Å; L91-L99 HydrophobicContact CG-CD1 4.34Å; D95-L99 WeakPolarHBondContact O-CB 3.39Å; D95-L99 VanDerWaalsContact O-CG 3.3Å; D95-L99 WeakPolarHBondContact O-CG 3.47Å; D95-L99 PolarHBondContact O-N 3.46Å; E96-L99 PolarHBondContact O-N 2.84Å; L99-H101 PolarHBondContact O-N 2.99Å; L99-H101 VanDerWaalsContact O-N 3.09Å; L99-L102 HydrophobicContact CD2-CB 4.42Å; L99-L102 HydrophobicContact CD2-CD2 3.73Å; L99-L102 WeakPolarHBondContact O-CB 3.37Å; L99-L102 PolarHBondContact O-N 3.08Å; L99-F123 HydrophobicContact CD2-CE1 4.46Å; L99-F123 HydrophobicContact CD2-CZ 4.42Å; L99-F190 HydrophobicContact CD2-CZ 4.5Å
100	K	97.1	Very high	94.4	Very high	97 Å²	97	39.3 Å²	39.3	42%	0.422	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.9	165.1	-75.9	169.6	-171.7	162.1	0	113.2	L78 E96 V98	L78-K100 HydrophobicContact CD2-CB 4.47Å; L78-K100 HydrophobicContact CD2-CG 3.52Å; E96-K100 WeakPolarHBondContact O-CG 3.44Å; E96-K100 PolarHBondContact O-N 2.77Å; V98-K100 PolarHBondContact O-N 2.89Å
101	H	97.2	Very high	94.1	Very high	39 Å²	39	44.9 Å²	44.9	18%	0.181	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.7	178.5	-60.5	-69.8	0	0	0	113.7	V98 L99 K103 F123 E124 N126	V98-H101 WeakPolarHBondContact O-CB 3.42Å; V98-H101 PolarHBondContact O-N 3.48Å; L99-H101 PolarHBondContact O-N 2.99Å; L99-H101 VanDerWaalsContact O-N 3.09Å; H101-K103 PolarHBondContact O-N 3.11Å; H101-F123 HydrophobicContact CB-CD1 4.21Å; H101-F123 WeakPolarHBondContact O-CA 3.38Å; H101-E124 HydrophobicContact CB-CG 3.81Å; H101-E124 IonicContact CE1-OE1 2.92Å; H101-E124 IonicContact CG-OE1 3.89Å; H101-E124 IonicContact ND1-OE1 3.86Å; H101-E124 PolarHBondContact ND1-OE1 3.02Å; H101-E124 PolarHBondContact O-N 2.9Å; H101-N126 HydrophobicContact CB-CB 3.89Å; H101-N126 VanDerWaalsContact CG-CB 3.5Å
102	L	97.6	Very high	93.6	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	115.1	178.4	-176.5	59.1	0	0	0	110.2	W77 F81 L99 V105 F121 F123	W77-L102 HydrophobicContact CB-CD2 3.63Å; W77-L102 HydrophobicContact CB-CG 3.97Å; W77-L102 HydrophobicContact CG-CD2 4.3Å; W77-L102 HydrophobicContact CG-CG 4.38Å; F81-L102 HydrophobicContact CE2-CD2 3.94Å; L99-L102 HydrophobicContact CD2-CB 4.42Å; L99-L102 HydrophobicContact CD2-CD2 3.73Å; L99-L102 WeakPolarHBondContact O-CB 3.37Å; L99-L102 PolarHBondContact O-N 3.08Å; L102-V105 HydrophobicContact CD1-CG2 4.17Å; L102-V105 HydrophobicContact CD2-CG2 3.74Å; L102-V105 HydrophobicContact CG-CG2 4.18Å; L102-F121 HydrophobicContact CD1-CB 3.8Å; L102-F121 HydrophobicContact CD1-CD1 4.09Å; L102-F121 HydrophobicContact CD1-CG 4.45Å; L102-F121 HydrophobicContact CD2-CD1 4.06Å; L102-F123 HydrophobicContact CB-CD1 4.22Å; L102-F123 HydrophobicContact CB-CE1 3.87Å; L102-F123 HydrophobicContact CB-CZ 4.43Å; L102-F123 HydrophobicContact CD1-CD1 4.44Å; L102-F123 HydrophobicContact CD1-CD2 4.41Å; L102-F123 HydrophobicContact CD1-CE1 4.11Å; L102-F123 HydrophobicContact CD1-CE2 4.07Å; L102-F123 HydrophobicContact CD1-CZ 3.91Å
103	K	94.7	Very high	92.9	Very high	84 Å²	84	48.6 Å²	48.6	37%	0.365	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-34.9	-178.7	-70	-58.6	-171.8	-154.2	0	113.7	H101 H122 E124	H101-K103 PolarHBondContact O-N 3.11Å; K103-H122 PolarHBondContact N-O 2.84Å; K103-E124 WeakPolarHBondContact CE-OE2 3Å; K103-E124 HydrophobicContact CG-CB 4.23Å; K103-E124 IonicContact NZ-OE1 2.8Å; K103-E124 IonicContact NZ-OE2 3.88Å; K103-E124 PolarHBondContact NZ-OE2 2.85Å
104	K	95.8	Very high	92.3	Very high	56 Å²	56	49.8 Å²	49.8	24%	0.243	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	131.6	-172.6	173.8	-176	169.8	-168.7	0	109.2	C67 E106 H122	C67-K104 HydrophobicContact CB-CD 4.26Å; C67-K104 HydrophobicContact CB-CG 4.49Å; K104-E106 WeakPolarHBondContact CE-OE2 3.39Å; K104-E106 IonicContact NZ-OE2 3.03Å; K104-E106 PolarHBondContact NZ-OE2 2.96Å; K104-H122 HydrophobicContact CB-CB 3.99Å; K104-H122 PolarHBondContact N-O 3.48Å; K104-H122 PolarHBondContact O-N 3.24Å
105	V	97.3	Very high	91.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.8	160.2	-178.8	0	0	0	0	107.2	W77 F81 L102 I119 N120 F121 I208 W213	W77-V105 HydrophobicContact CB-CG2 4.31Å; W77-V105 HydrophobicContact CD2-CB 3.78Å; W77-V105 HydrophobicContact CD2-CG2 3.53Å; W77-V105 HydrophobicContact CE3-CB 3.9Å; W77-V105 HydrophobicContact CE3-CG2 3.76Å; W77-V105 HydrophobicContact CG-CB 4.45Å; W77-V105 HydrophobicContact CG-CG2 3.78Å; W77-V105 HydrophobicContact CH2-CB 3.91Å; W77-V105 HydrophobicContact CZ2-CB 3.79Å; W77-V105 HydrophobicContact CZ2-CG2 4.48Å; W77-V105 HydrophobicContact CZ3-CB 3.96Å; W77-V105 HydrophobicContact CZ3-CG2 4.32Å; F81-V105 HydrophobicContact CZ-CG2 4.02Å; L102-V105 HydrophobicContact CD1-CG2 4.17Å; L102-V105 HydrophobicContact CD2-CG2 3.74Å; L102-V105 HydrophobicContact CG-CG2 4.18Å; V105-I119 HydrophobicContact CG1-CG2 4.08Å; V105-N120 CarbonylContact C-O 3.47Å; V105-N120 VanDerWaalsContact CA-O 3.28Å; V105-N120 WeakPolarHBondContact CA-O 3.37Å; V105-F121 HydrophobicContact CG1-CE1 4.46Å; V105-F121 HydrophobicContact CG2-CD1 3.9Å; V105-F121 HydrophobicContact CG2-CE1 4.17Å; V105-I208 HydrophobicContact CG1-CG2 4.49Å; V105-W213 WeakPolarHBondContact O-CZ3 3.44Å
106	E	95.7	Very high	91.7	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.154	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	125.1	176.1	-176.4	-178.8	-178.8	0	0	110.4	K104 Q108 N120 W213	K104-E106 WeakPolarHBondContact CE-OE2 3.39Å; K104-E106 IonicContact NZ-OE2 3.03Å; K104-E106 PolarHBondContact NZ-OE2 2.96Å; E106-Q108 HydrophobicContact CG-CG 3.86Å; E106-Q108 PolarHBondContact OE1-NE2 2.9Å; E106-N120 HydrophobicContact CB-CB 4.5Å; E106-N120 PolarHBondContact N-O 3.03Å; E106-N120 PolarHBondContact O-N 3.5Å; E106-W213 HydrophobicContact CB-CH2 4.36Å; E106-W213 HydrophobicContact CG-CH2 4.3Å; E106-W213 HydrophobicContact CG-CZ2 4.43Å
107	V	96.2	Very high	91.6	Very high	13 Å²	13	47 Å²	47	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.5	170.8	-172.4	0	0	0	0	108.5	F117 R118 I119 I208 K209 W213	V107-F117 HydrophobicContact CG1-CD2 4.03Å; V107-R118 WeakPolarHBondContact CA-O 3.48Å; V107-I119 HydrophobicContact CG1-CG1 4.39Å; V107-I119 HydrophobicContact CG2-CG1 4.17Å; V107-I119 HydrophobicContact CG2-CG2 4.34Å; V107-I208 HydrophobicContact CG2-CG2 4.3Å; V107-K209 HydrophobicContact CG1-CB 4.22Å; V107-K209 HydrophobicContact CG1-CG 4.05Å; V107-W213 HydrophobicContact CB-CB 4.3Å; V107-W213 HydrophobicContact CB-CD2 3.98Å; V107-W213 HydrophobicContact CB-CG 3.69Å; V107-W213 HydrophobicContact CG2-CB 3.6Å; V107-W213 HydrophobicContact CG2-CD2 3.8Å; V107-W213 HydrophobicContact CG2-CE3 4.35Å; V107-W213 HydrophobicContact CG2-CG 3.45Å; V107-W213 VanDerWaalsContact CG2-CG 3.45Å
108	Q	92.4	Very high	91.5	Very high	56 Å²	56	49.2 Å²	49.2	26%	0.262	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119	178.8	-60.5	-178.8	-20.4	0	0	109.1	E106 F117 R118	E106-Q108 HydrophobicContact CG-CG 3.86Å; E106-Q108 PolarHBondContact OE1-NE2 2.9Å; Q108-F117 CarbonylContact O-C 3.48Å; Q108-F117 VanDerWaalsContact O-CA 3.28Å; Q108-F117 WeakPolarHBondContact O-CA 3.46Å; Q108-F117 WeakPolarHBondContact O-CB 3.11Å; Q108-R118 HydrophobicContact CB-CG 3.92Å; Q108-R118 PolarHBondContact N-O 2.86Å; Q108-R118 PolarHBondContact O-N 3.3Å
109	E	89.5	Confident	91.5	Very high	76 Å²	76	49.2 Å²	49.2	36%	0.355	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	149	167.6	-66.4	172.5	-148.8	0	0	109.9	N56 I113 F117	N56-E109 PolarHBondContact ND2-OE2 2.85Å; E109-I113 WeakPolarHBondContact OE2-CG2 2.99Å; E109-F117 HydrophobicContact CG-CB 4.42Å
110	F	87	Confident	91.5	Very high	31 Å²	31	50 Å²	50	14%	0.136	24%	0.235	C	C	.	.			trans	-73.9	164.7	173.9	-60.1	-30.8	0	0	0	111.5	D112 S115 G116 R118 E137 F138 H139	F110-D112 CarbonylContact O-C 3.48Å; F110-D112 PolarHBondContact O-N 3.44Å; F110-S115 VanDerWaalsContact CB-OG 3.27Å; F110-S115 WeakPolarHBondContact CB-OG 3.26Å; F110-S115 WeakPolarHBondContact CD2-OG 3.34Å; F110-G116 WeakPolarHBondContact CD2-O 3.3Å; F110-G116 PolarHBondContact N-O 3.12Å; F110-G116 VanDerWaalsContact N-O 3.07Å; F110-R118 HydrophobicContact CE1-CB 4.22Å; F110-R118 HydrophobicContact CE1-CG 4.11Å; F110-R118 HydrophobicContact CZ-CB 4.48Å; F110-E137 HydrophobicContact CZ-CB 4.38Å; F110-F138 WeakPolarHBondContact CE2-O 3.42Å; F110-H139 AromaticContact CE2-CE1 3.33Å; F110-H139 WeakPolarHBondContact CE2-CE1 3.39Å; F110-H139 AromaticContact CE2-ND1 3.42Å; F110-H139 WeakPolarHBondContact CE2-ND1 3.12Å; F110-H139 AromaticContact CE2-NE2 3.91Å; F110-H139 AromaticContact CZ-CE1 3.45Å; F110-H139 VanDerWaalsContact CZ-CE1 3.45Å; F110-H139 WeakPolarHBondContact CZ-CE1 3.43Å; F110-H139 AromaticContact CZ-NE2 3.76Å
111	E	80.7	Confident	91.5	Very high	188 Å²	188	45.3 Å²	45.3	88%	0.879	22%	0.215	S	C	*	.	S	Bend	trans	-59.5	-39.8	-178.4	-69.1	-171.5	173.1	0	0	112
112	D	82.4	Confident	91.5	Very high	72 Å²	72	46 Å²	46	39%	0.385	22%	0.218	S	C	.	.	S	Bend	trans	-87.2	102.7	160.8	-177.1	10.2	0	0	0	108.7	F110 K114 S115	F110-D112 CarbonylContact O-C 3.48Å; F110-D112 PolarHBondContact O-N 3.44Å; D112-K114 PolarHBondContact O-N 3.17Å; D112-K114 VanDerWaalsContact O-N 3.1Å; D112-K114 PolarHBondContact OD1-N 3.36Å; D112-S115 WeakPolarHBondContact O-CB 3.5Å; D112-S115 PolarHBondContact O-N 3.01Å; D112-S115 PolarHBondContact O-OG 3.01Å
113	I	77.7	Confident	91.6	Very high	29 Å²	29	46.3 Å²	46.3	15%	0.149	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.1	-29.1	-177.4	-61.1	170.6	0	0	0	111	L49 E52 Q53 N56 E109 S115	L49-I113 HydrophobicContact CD1-CB 3.87Å; L49-I113 HydrophobicContact CD1-CD1 4.24Å; L49-I113 HydrophobicContact CD1-CG1 4.41Å; E52-I113 HydrophobicContact CB-CD1 3.63Å; Q53-I113 HydrophobicContact CB-CD1 4.26Å; Q53-I113 HydrophobicContact CG-CD1 3.57Å; Q53-I113 HydrophobicContact CG-CG1 4.2Å; N56-I113 WeakPolarHBondContact ND2-CD1 3.46Å; E109-I113 WeakPolarHBondContact OE2-CG2 2.99Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 2.67Å
114	K	81.7	Confident	91.6	Very high	99 Å²	99	46 Å²	46	43%	0.43	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-70.2	-24.5	177.1	-65.1	-179	174.1	178.1	0	112.9	L49 D112 G116 L140	L49-K114 HydrophobicContact CD1-CG 4.2Å; L49-K114 HydrophobicContact CD2-CD 4.3Å; D112-K114 PolarHBondContact O-N 3.17Å; D112-K114 VanDerWaalsContact O-N 3.1Å; D112-K114 PolarHBondContact OD1-N 3.36Å; K114-G116 VanDerWaalsContact C-N 3.28Å; K114-G116 PolarHBondContact O-N 3.07Å; K114-L140 WeakPolarHBondContact O-CB 3.33Å
115	S	85.1	Confident	91.7	Very high	31 Å²	31	52.6 Å²	52.6	22%	0.217	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-77	-13.8	-176.1	70.3	0	0	0	0	113.5	F110 D112 I113 H139 L140	F110-S115 VanDerWaalsContact CB-OG 3.27Å; F110-S115 WeakPolarHBondContact CB-OG 3.26Å; F110-S115 WeakPolarHBondContact CD2-OG 3.34Å; D112-S115 WeakPolarHBondContact O-CB 3.5Å; D112-S115 PolarHBondContact O-N 3.01Å; D112-S115 PolarHBondContact O-OG 3.01Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 2.67Å; S115-H139 CarbonylContact O-C 3.6Å; S115-H139 VanDerWaalsContact O-CA 3.24Å; S115-H139 WeakPolarHBondContact O-CA 3.03Å; S115-L140 PolarHBondContact O-N 2.85Å
116	G	90.4	Very high	91.7	Very high	12 Å²	12	53.1 Å²	53.1	12%	0.124	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.6	-157.4	173.5	0	0	0	0	0	114.7	F110 K114 F138	F110-G116 WeakPolarHBondContact CD2-O 3.3Å; F110-G116 PolarHBondContact N-O 3.12Å; F110-G116 VanDerWaalsContact N-O 3.07Å; K114-G116 VanDerWaalsContact C-N 3.28Å; K114-G116 PolarHBondContact O-N 3.07Å; G116-F138 CarbonylContact C-O 3.51Å; G116-F138 VanDerWaalsContact CA-O 3.29Å; G116-F138 WeakPolarHBondContact CA-O 3.39Å
117	F	93.2	Very high	91.8	Very high	25 Å²	25	57 Å²	57	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	168.2	-171.8	65.1	-84.5	0	0	0	111.6	V107 Q108 E109 I119 F138 K209	V107-F117 HydrophobicContact CG1-CD2 4.03Å; Q108-F117 CarbonylContact O-C 3.48Å; Q108-F117 VanDerWaalsContact O-CA 3.28Å; Q108-F117 WeakPolarHBondContact O-CA 3.46Å; Q108-F117 WeakPolarHBondContact O-CB 3.11Å; E109-F117 HydrophobicContact CG-CB 4.42Å; F117-I119 HydrophobicContact CD2-CD1 4.47Å; F117-I119 HydrophobicContact CD2-CG1 4Å; F117-I119 HydrophobicContact CE2-CD1 3.82Å; F117-I119 HydrophobicContact CE2-CG1 3.85Å; F117-F138 HydrophobicContact CD1-CB 4.08Å; F117-F138 AromaticContact CD2-CD2 3.92Å; F117-F138 HydrophobicContact CD2-CD2 3.92Å; F117-F138 HydrophobicContact CE1-CB 3.79Å; F117-F138 HydrophobicContact CE1-CD2 4.01Å; F117-F138 HydrophobicContact CE1-CG 4.03Å; F117-F138 HydrophobicContact CE2-CB 4.49Å; F117-F138 AromaticContact CE2-CD2 3.28Å; F117-F138 HydrophobicContact CE2-CD2 3.28Å; F117-F138 AromaticContact CE2-CE2 3.76Å; F117-F138 HydrophobicContact CE2-CE2 3.76Å; F117-F138 HydrophobicContact CE2-CG 4.13Å; F117-F138 HydrophobicContact CZ-CB 4.02Å; F117-F138 AromaticContact CZ-CD2 3.33Å; F117-F138 HydrophobicContact CZ-CD2 3.33Å; F117-F138 AromaticContact CZ-CE2 3.93Å; F117-F138 HydrophobicContact CZ-CE2 3.93Å; F117-F138 AromaticContact CZ-CG 3.74Å; F117-F138 HydrophobicContact CZ-CG 3.74Å; F117-F138 PolarHBondContact N-O 3Å; F117-F138 PolarHBondContact O-N 2.93Å; F117-F138 VanDerWaalsContact O-O 3.13Å; F117-K209 HydrophobicContact CB-CD 4.44Å; F117-K209 HydrophobicContact CD1-CD 3.48Å; F117-K209 VanDerWaalsContact CD1-CD 3.48Å; F117-K209 HydrophobicContact CD2-CB 4.39Å; F117-K209 HydrophobicContact CD2-CD 3.71Å; F117-K209 HydrophobicContact CD2-CG 4.4Å; F117-K209 HydrophobicContact CE1-CD 3.44Å; F117-K209 VanDerWaalsContact CE1-CD 3.44Å; F117-K209 HydrophobicContact CE2-CB 3.9Å; F117-K209 HydrophobicContact CE2-CD 3.66Å; F117-K209 HydrophobicContact CE2-CG 4.29Å; F117-K209 HydrophobicContact CG-CD 3.62Å; F117-K209 HydrophobicContact CZ-CB 4.18Å; F117-K209 HydrophobicContact CZ-CD 3.53Å; F117-K209 HydrophobicContact CZ-CG 4.47Å
118	R	94.7	Very high	91.8	Very high	86 Å²	86	57.4 Å²	57.4	33%	0.325	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.1	171.7	61.9	179.6	160.8	-143.9	-10.5	112.3	V107 Q108 F110 T135 K136 E137	V107-R118 WeakPolarHBondContact CA-O 3.48Å; Q108-R118 HydrophobicContact CB-CG 3.92Å; Q108-R118 PolarHBondContact N-O 2.86Å; Q108-R118 PolarHBondContact O-N 3.3Å; F110-R118 HydrophobicContact CE1-CB 4.22Å; F110-R118 HydrophobicContact CE1-CG 4.11Å; F110-R118 HydrophobicContact CZ-CB 4.48Å; R118-T135 HydrophobicContact CB-CG2 4.08Å; R118-K136 CarbonylContact C-O 3.45Å; R118-K136 WeakPolarHBondContact CA-O 3.08Å; R118-E137 HydrophobicContact CB-CB 4.12Å; R118-E137 HydrophobicContact CB-CG 3.68Å; R118-E137 WeakPolarHBondContact CD-OE1 3.26Å; R118-E137 IonicContact NH1-OE1 3.75Å; R118-E137 PolarHBondContact NH1-OE1 2.73Å
119	I	96.7	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.9	175.7	-51.9	177.2	0	0	0	107.7	V105 V107 F117 F121 T135 K136 F138 W192 I208	V105-I119 HydrophobicContact CG1-CG2 4.08Å; V107-I119 HydrophobicContact CG1-CG1 4.39Å; V107-I119 HydrophobicContact CG2-CG1 4.17Å; V107-I119 HydrophobicContact CG2-CG2 4.34Å; F117-I119 HydrophobicContact CD2-CD1 4.47Å; F117-I119 HydrophobicContact CD2-CG1 4Å; F117-I119 HydrophobicContact CE2-CD1 3.82Å; F117-I119 HydrophobicContact CE2-CG1 3.85Å; I119-F121 HydrophobicContact CB-CE2 4.04Å; I119-F121 HydrophobicContact CG2-CD2 4.06Å; I119-F121 HydrophobicContact CG2-CE2 3.3Å; I119-F121 HydrophobicContact CG2-CZ 3.66Å; I119-T135 VanDerWaalsContact O-CA 3.32Å; I119-T135 WeakPolarHBondContact O-CA 3.49Å; I119-K136 PolarHBondContact N-O 2.83Å; I119-K136 PolarHBondContact O-N 3.32Å; I119-F138 HydrophobicContact CD1-CE2 4.19Å; I119-W192 HydrophobicContact CD1-CH2 3.9Å; I119-W192 HydrophobicContact CD1-CZ2 4.4Å; I119-I208 HydrophobicContact CD1-CB 3.93Å; I119-I208 HydrophobicContact CD1-CG2 3.8Å; I119-I208 HydrophobicContact CG2-CG2 3.89Å
120	N	97.6	Very high	92.5	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127	-179.9	-61.4	-72.2	0	0	0	110.7	V105 E106 V133 T135	V105-N120 CarbonylContact C-O 3.47Å; V105-N120 VanDerWaalsContact CA-O 3.28Å; V105-N120 WeakPolarHBondContact CA-O 3.37Å; E106-N120 HydrophobicContact CB-CB 4.5Å; E106-N120 PolarHBondContact N-O 3.03Å; E106-N120 PolarHBondContact O-N 3.5Å; N120-V133 HydrophobicContact CB-CG1 4.13Å; N120-T135 VanDerWaalsContact OD1-CG2 3.26Å; N120-T135 WeakPolarHBondContact OD1-CG2 3.14Å; N120-T135 PolarHBondContact OD1-OG1 2.97Å
121	F	98	Very high	93	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108	175.9	-62	-103.5	0	0	0	108.7	F81 L102 V105 I119 F123 V133 L134 F189 W192 F193 I208	F81-F121 AromaticContact CE2-CE1 3.88Å; F81-F121 HydrophobicContact CE2-CE1 3.88Å; F81-F121 AromaticContact CZ-CE1 3.87Å; F81-F121 HydrophobicContact CZ-CE1 3.87Å; L102-F121 HydrophobicContact CD1-CB 3.8Å; L102-F121 HydrophobicContact CD1-CD1 4.09Å; L102-F121 HydrophobicContact CD1-CG 4.45Å; L102-F121 HydrophobicContact CD2-CD1 4.06Å; V105-F121 HydrophobicContact CG1-CE1 4.46Å; V105-F121 HydrophobicContact CG2-CD1 3.9Å; V105-F121 HydrophobicContact CG2-CE1 4.17Å; I119-F121 HydrophobicContact CB-CE2 4.04Å; I119-F121 HydrophobicContact CG2-CD2 4.06Å; I119-F121 HydrophobicContact CG2-CE2 3.3Å; I119-F121 HydrophobicContact CG2-CZ 3.66Å; F121-F123 HydrophobicContact CB-CD2 4.29Å; F121-F123 HydrophobicContact CB-CE2 3.54Å; F121-F123 HydrophobicContact CB-CZ 4.22Å; F121-F123 WeakPolarHBondContact O-CD2 3.46Å; F121-V133 CarbonylContact O-C 3.34Å; F121-V133 VanDerWaalsContact O-CA 3.29Å; F121-V133 WeakPolarHBondContact O-CA 3.41Å; F121-L134 HydrophobicContact CB-CB 4.41Å; F121-L134 PolarHBondContact N-O 2.8Å; F121-L134 PolarHBondContact O-N 3.46Å; F121-F189 HydrophobicContact CE1-CZ 4Å; F121-F189 HydrophobicContact CZ-CZ 4.16Å; F121-W192 HydrophobicContact CE2-CH2 4.24Å; F121-W192 AromaticContact CE2-CZ3 3.65Å; F121-W192 HydrophobicContact CE2-CZ3 3.65Å; F121-W192 HydrophobicContact CZ-CH2 4.34Å; F121-W192 AromaticContact CZ-CZ3 3.75Å; F121-W192 HydrophobicContact CZ-CZ3 3.75Å; F121-F193 HydrophobicContact CD2-CE1 4.23Å; F121-F193 AromaticContact CD2-CZ 3.67Å; F121-F193 HydrophobicContact CD2-CZ 3.67Å; F121-F193 HydrophobicContact CE2-CE1 4.46Å; F121-F193 AromaticContact CE2-CZ 3.9Å; F121-F193 HydrophobicContact CE2-CZ 3.9Å; F121-F193 HydrophobicContact CG-CZ 4.25Å; F121-I208 HydrophobicContact CZ-CD1 4.01Å
122	H	98	Very high	93.8	Very high	53 Å²	53	51.7 Å²	51.7	25%	0.245	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.7	-179.2	-63.2	-98.8	0	0	0	110.5	K103 K104 S132 V133	K103-H122 PolarHBondContact N-O 2.84Å; K104-H122 HydrophobicContact CB-CB 3.99Å; K104-H122 PolarHBondContact N-O 3.48Å; K104-H122 PolarHBondContact O-N 3.24Å; H122-S132 WeakPolarHBondContact CA-O 3.48Å; H122-V133 WeakPolarHBondContact ND1-CG2 3.29Å
123	F	97.8	Very high	94.6	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.2	178.6	-67.8	-91.9	0	0	0	110.8	V98 L99 H101 L102 F121 F129 S132 L134 F190	V98-F123 HydrophobicContact CG1-CE1 4.19Å; L99-F123 HydrophobicContact CD2-CE1 4.46Å; L99-F123 HydrophobicContact CD2-CZ 4.42Å; H101-F123 HydrophobicContact CB-CD1 4.21Å; H101-F123 WeakPolarHBondContact O-CA 3.38Å; L102-F123 HydrophobicContact CB-CD1 4.22Å; L102-F123 HydrophobicContact CB-CE1 3.87Å; L102-F123 HydrophobicContact CB-CZ 4.43Å; L102-F123 HydrophobicContact CD1-CD1 4.44Å; L102-F123 HydrophobicContact CD1-CD2 4.41Å; L102-F123 HydrophobicContact CD1-CE1 4.11Å; L102-F123 HydrophobicContact CD1-CE2 4.07Å; L102-F123 HydrophobicContact CD1-CZ 3.91Å; F121-F123 HydrophobicContact CB-CD2 4.29Å; F121-F123 HydrophobicContact CB-CE2 3.54Å; F121-F123 HydrophobicContact CB-CZ 4.22Å; F121-F123 WeakPolarHBondContact O-CD2 3.46Å; F123-F129 HydrophobicContact CB-CE2 4.01Å; F123-F129 HydrophobicContact CB-CZ 4.25Å; F123-F129 HydrophobicContact CD1-CE2 4.43Å; F123-F129 AromaticContact CD1-CZ 3.82Å; F123-F129 HydrophobicContact CD1-CZ 3.82Å; F123-F129 AromaticContact CD2-CE2 3.94Å; F123-F129 HydrophobicContact CD2-CE2 3.94Å; F123-F129 AromaticContact CD2-CZ 3.64Å; F123-F129 HydrophobicContact CD2-CZ 3.64Å; F123-F129 HydrophobicContact CE1-CZ 4.02Å; F123-F129 AromaticContact CE2-CZ 3.84Å; F123-F129 HydrophobicContact CE2-CZ 3.84Å; F123-F129 AromaticContact CG-CE2 3.87Å; F123-F129 HydrophobicContact CG-CE2 3.87Å; F123-F129 AromaticContact CG-CZ 3.63Å; F123-F129 HydrophobicContact CG-CZ 3.63Å; F123-F129 HydrophobicContact CZ-CZ 4.03Å; F123-S132 PolarHBondContact N-O 2.95Å; F123-L134 HydrophobicContact CD2-CD1 4.5Å; F123-L134 HydrophobicContact CD2-CG 4.35Å; F123-L134 HydrophobicContact CE2-CB 4.41Å; F123-L134 HydrophobicContact CE2-CD1 3.88Å; F123-L134 HydrophobicContact CE2-CG 4.07Å; F123-F190 HydrophobicContact CZ-CE1 4.08Å; F123-F190 HydrophobicContact CZ-CZ 4.34Å
124	E	96.6	Very high	95.5	Very high	76 Å²	76	48.8 Å²	48.8	36%	0.355	24%	0.237	S	C	.	.			trans	-70.2	168	160.3	69	-177.1	-177.4	0	0	110.5	H101 K103 N126	H101-E124 HydrophobicContact CB-CG 3.81Å; H101-E124 IonicContact CE1-OE1 2.92Å; H101-E124 IonicContact CG-OE1 3.89Å; H101-E124 IonicContact ND1-OE1 3.86Å; H101-E124 PolarHBondContact ND1-OE1 3.02Å; H101-E124 PolarHBondContact O-N 2.9Å; K103-E124 WeakPolarHBondContact CE-OE2 3Å; K103-E124 HydrophobicContact CG-CB 4.23Å; K103-E124 IonicContact NZ-OE1 2.8Å; K103-E124 IonicContact NZ-OE2 3.88Å; K103-E124 PolarHBondContact NZ-OE2 2.85Å; E124-N126 PolarHBondContact O-N 3.19Å; E124-N126 VanDerWaalsContact O-N 3.14Å; E124-N126 PolarHBondContact O-ND2 3.24Å
125	K	97.3	Very high	96.3	Very high	196 Å²	196	45 Å²	45	85%	0.852	22%	0.222	S	C	*	.	S	Bend	trans	-57.2	122.9	173.5	-176.7	-179.7	179.5	-178.8	0	109.5
126	N	96.9	Very high	96.7	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.064	21%	0.212	C	C	.	.			trans	-133.5	176.8	-175.6	64.4	74.8	0	0	0	111.3	H101 E124 W128 F129	H101-N126 HydrophobicContact CB-CB 3.89Å; H101-N126 VanDerWaalsContact CG-CB 3.5Å; E124-N126 PolarHBondContact O-N 3.19Å; E124-N126 VanDerWaalsContact O-N 3.14Å; E124-N126 PolarHBondContact O-ND2 3.24Å; N126-W128 WeakPolarHBondContact OD1-CA 3.32Å; N126-W128 WeakPolarHBondContact OD1-CB 3.24Å; N126-W128 PolarHBondContact OD1-N 3.03Å; N126-F129 WeakPolarHBondContact ND2-CE2 3.44Å; N126-F129 PolarHBondContact OD1-N 2.58Å; N126-F129 VanDerWaalsContact OD1-N 3.1Å; N126-F129 PolarHBondContact OD1-O 2.99Å
127	E	97.3	Very high	96.8	Very high	115 Å²	115	44.9 Å²	44.9	54%	0.537	22%	0.215	S	C	.	.	S	Bend	trans	-93.8	3.3	-178.2	64.6	168.2	135.1	0	0	114.5	Y156 K159	E127-Y156 WeakPolarHBondContact O-CD2 3.28Å; E127-K159 IonicContact OE2-NZ 2.79Å; E127-K159 PolarHBondContact OE2-NZ 3.43Å
128	W	97.4	Very high	96.7	Very high	20 Å²	20	44.7 Å²	44.7	8%	0.076	21%	0.214	C	C	.	.	S	Bend	trans	-99.9	-47.6	-171.7	-59.5	96.7	0	0	0	112.6	N94 V98 N126 W155 Y156 K159 L161	N94-W128 HydrophobicContact CB-CH2 4.35Å; V98-W128 HydrophobicContact CB-CG 4.31Å; V98-W128 HydrophobicContact CG1-CB 4.2Å; V98-W128 HydrophobicContact CG1-CG 4.13Å; V98-W128 HydrophobicContact CG2-CB 4.24Å; V98-W128 HydrophobicContact CG2-CD2 3.55Å; V98-W128 HydrophobicContact CG2-CE3 3.93Å; V98-W128 HydrophobicContact CG2-CG 3.66Å; V98-W128 HydrophobicContact CG2-CZ2 4.4Å; N126-W128 WeakPolarHBondContact OD1-CA 3.32Å; N126-W128 WeakPolarHBondContact OD1-CB 3.24Å; N126-W128 PolarHBondContact OD1-N 3.03Å; W128-W155 HydrophobicContact CB-CE3 4.48Å; W128-W155 HydrophobicContact CB-CZ3 4.17Å; W128-Y156 VanDerWaalsContact C-CD2 3.43Å; W128-Y156 WeakPolarHBondContact O-CD2 3.39Å; W128-Y156 PolarHBondContact O-N 3.26Å; W128-K159 HydrophobicContact CD2-CD 4.44Å; W128-K159 HydrophobicContact CE3-CB 4.09Å; W128-K159 HydrophobicContact CE3-CD 3.79Å; W128-K159 HydrophobicContact CE3-CG 4.45Å; W128-K159 HydrophobicContact CZ3-CD 3.95Å; W128-L161 HydrophobicContact CE3-CD1 4.49Å; W128-L161 HydrophobicContact CE3-CD2 4.37Å; W128-L161 HydrophobicContact CZ3-CD1 4.5Å; W128-L161 HydrophobicContact CZ3-CD2 3.92Å; W128-L161 HydrophobicContact CZ3-CG 4.5Å
129	F	97.8	Very high	96.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-147.1	168.2	179.4	51.7	-112.3	0	0	0	112.7	V98 F123 N126 N131 L134 I153 D154 W155 Y156 F190	V98-F129 HydrophobicContact CG1-CD1 4.37Å; V98-F129 HydrophobicContact CG1-CE1 3.52Å; V98-F129 HydrophobicContact CG1-CZ 4.05Å; F123-F129 HydrophobicContact CB-CE2 4.01Å; F123-F129 HydrophobicContact CB-CZ 4.25Å; F123-F129 HydrophobicContact CD1-CE2 4.43Å; F123-F129 AromaticContact CD1-CZ 3.82Å; F123-F129 HydrophobicContact CD1-CZ 3.82Å; F123-F129 AromaticContact CD2-CE2 3.94Å; F123-F129 HydrophobicContact CD2-CE2 3.94Å; F123-F129 AromaticContact CD2-CZ 3.64Å; F123-F129 HydrophobicContact CD2-CZ 3.64Å; F123-F129 HydrophobicContact CE1-CZ 4.02Å; F123-F129 AromaticContact CE2-CZ 3.84Å; F123-F129 HydrophobicContact CE2-CZ 3.84Å; F123-F129 AromaticContact CG-CE2 3.87Å; F123-F129 HydrophobicContact CG-CE2 3.87Å; F123-F129 AromaticContact CG-CZ 3.63Å; F123-F129 HydrophobicContact CG-CZ 3.63Å; F123-F129 HydrophobicContact CZ-CZ 4.03Å; N126-F129 WeakPolarHBondContact ND2-CE2 3.44Å; N126-F129 PolarHBondContact OD1-N 2.58Å; N126-F129 VanDerWaalsContact OD1-N 3.1Å; N126-F129 PolarHBondContact OD1-O 2.99Å; F129-N131 HydrophobicContact CD2-CB 3.92Å; F129-N131 WeakPolarHBondContact CD2-O 3.14Å; F129-N131 HydrophobicContact CE2-CB 4.27Å; F129-N131 VanDerWaalsContact CE2-O 3.29Å; F129-N131 WeakPolarHBondContact CE2-O 3.5Å; F129-L134 HydrophobicContact CE1-CD1 4.04Å; F129-L134 HydrophobicContact CE2-CD1 4.46Å; F129-L134 HydrophobicContact CZ-CD1 3.9Å; F129-L134 HydrophobicContact CZ-CG 4.41Å; F129-I153 HydrophobicContact CB-CG2 3.67Å; F129-I153 HydrophobicContact CD1-CG2 3.67Å; F129-I153 HydrophobicContact CE1-CG2 4.48Å; F129-I153 HydrophobicContact CG-CG2 3.8Å; F129-D154 CarbonylContact C-O 3.51Å; F129-D154 WeakPolarHBondContact CA-O 3.17Å; F129-D154 VanDerWaalsContact CB-O 3.29Å; F129-D154 WeakPolarHBondContact CB-O 3.48Å; F129-W155 HydrophobicContact CB-CE3 4.25Å; F129-W155 HydrophobicContact CD1-CE3 4.03Å; F129-W155 HydrophobicContact CD1-CH2 4.21Å; F129-W155 AromaticContact CD1-CZ3 3.77Å; F129-W155 HydrophobicContact CD1-CZ3 3.77Å; F129-W155 HydrophobicContact CE1-CZ3 4.47Å; F129-Y156 VanDerWaalsContact C-CE2 3.48Å; F129-Y156 VanDerWaalsContact O-CE2 3.32Å; F129-Y156 WeakPolarHBondContact O-CE2 3.45Å; F129-F190 HydrophobicContact CE1-CE1 4.03Å; F129-F190 HydrophobicContact CE1-CZ 4.44Å
130	K	98	Very high	95.9	Very high	117 Å²	117	47.2 Å²	47.2	51%	0.509	23%	0.232	S	C	.	.	S	Bend	trans	-86	-23	-179.5	-50	-155	-164.2	80.3	0	114.6	S132 D154 Y156	K130-S132 PolarHBondContact O-N 2.78Å; K130-D154 HydrophobicContact CB-CB 4.22Å; K130-D154 VanDerWaalsContact CD-OD2 3.27Å; K130-D154 WeakPolarHBondContact CD-OD2 3.38Å; K130-D154 HydrophobicContact CG-CB 4.36Å; K130-D154 WeakPolarHBondContact CG-OD2 3.27Å; K130-D154 PolarHBondContact N-O 2.78Å; K130-D154 IonicContact NZ-OD1 2.65Å; K130-D154 PolarHBondContact NZ-OD1 3.14Å; K130-D154 IonicContact NZ-OD2 2.77Å; K130-D154 PolarHBondContact NZ-OD2 3.03Å; K130-Y156 HydrophobicContact CD-CE1 4.12Å; K130-Y156 HydrophobicContact CG-CD1 4.4Å; K130-Y156 HydrophobicContact CG-CE1 3.7Å; K130-Y156 HydrophobicContact CG-CE2 4.5Å
131	N	98.3	Very high	95	Very high	29 Å²	29	48.1 Å²	48.1	16%	0.155	24%	0.244	C	C	.	.			trans	-59.6	134.6	-175.2	-52.7	69.4	0	0	0	111.1	F129 L134 T151 K152 D154	F129-N131 HydrophobicContact CD2-CB 3.92Å; F129-N131 WeakPolarHBondContact CD2-O 3.14Å; F129-N131 HydrophobicContact CE2-CB 4.27Å; F129-N131 VanDerWaalsContact CE2-O 3.29Å; F129-N131 WeakPolarHBondContact CE2-O 3.5Å; N131-L134 HydrophobicContact CB-CD2 3.52Å; N131-L134 HydrophobicContact CB-CG 4.4Å; N131-T151 WeakPolarHBondContact ND2-CG2 3.39Å; N131-K152 PolarHBondContact ND2-O 3.28Å; N131-D154 PolarHBondContact OD1-N 3.42Å
132	S	97.8	Very high	93.9	Very high	84 Å²	84	56.8 Å²	56.8	59%	0.587	29%	0.291	S	S	*	.	S	Bend	trans	-87	-24.1	168.6	53.5	0	0	0	0	112.3	H122 F123 K130	H122-S132 WeakPolarHBondContact CA-O 3.48Å; F123-S132 PolarHBondContact N-O 2.95Å; K130-S132 PolarHBondContact O-N 2.78Å
133	V	98	Very high	93	Very high	39 Å²	39	58.5 Å²	58.5	24%	0.236	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.8	177.2	-170.4	0	0	0	0	108.4	N120 F121 H122	N120-V133 HydrophobicContact CB-CG1 4.13Å; F121-V133 CarbonylContact O-C 3.34Å; F121-V133 VanDerWaalsContact O-CA 3.29Å; F121-V133 WeakPolarHBondContact O-CA 3.41Å; H122-V133 WeakPolarHBondContact ND1-CG2 3.29Å
134	L	97.9	Very high	92.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.2	164.7	-58.8	-178.4	0	0	0	107.9	F121 F123 F129 N131 T151 I153 F190 F193	F121-L134 HydrophobicContact CB-CB 4.41Å; F121-L134 PolarHBondContact N-O 2.8Å; F121-L134 PolarHBondContact O-N 3.46Å; F123-L134 HydrophobicContact CD2-CD1 4.5Å; F123-L134 HydrophobicContact CD2-CG 4.35Å; F123-L134 HydrophobicContact CE2-CB 4.41Å; F123-L134 HydrophobicContact CE2-CD1 3.88Å; F123-L134 HydrophobicContact CE2-CG 4.07Å; F129-L134 HydrophobicContact CE1-CD1 4.04Å; F129-L134 HydrophobicContact CE2-CD1 4.46Å; F129-L134 HydrophobicContact CZ-CD1 3.9Å; F129-L134 HydrophobicContact CZ-CG 4.41Å; N131-L134 HydrophobicContact CB-CD2 3.52Å; N131-L134 HydrophobicContact CB-CG 4.4Å; L134-T151 HydrophobicContact CD2-CG2 4.04Å; L134-I153 HydrophobicContact CD1-CD1 4.06Å; L134-I153 HydrophobicContact CD1-CG1 4.07Å; L134-I153 HydrophobicContact CD2-CG1 3.92Å; L134-I153 HydrophobicContact CD2-CG2 4.47Å; L134-F190 HydrophobicContact CD1-CD1 4.07Å; L134-F190 HydrophobicContact CD1-CE1 3.99Å; L134-F193 HydrophobicContact CB-CD1 4.28Å; L134-F193 HydrophobicContact CB-CE1 3.57Å; L134-F193 HydrophobicContact CB-CE2 4.37Å; L134-F193 HydrophobicContact CB-CZ 3.62Å; L134-F193 HydrophobicContact CD1-CD2 4.5Å; L134-F193 HydrophobicContact CD1-CE2 4.09Å; L134-F193 HydrophobicContact CD1-CZ 4.17Å
135	T	96.7	Very high	91.5	Very high	21 Å²	21	62.9 Å²	62.9	13%	0.129	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.9	-179.4	-55.7	0	0	0	0	109.7	R118 I119 N120 E137 Y150 T151	R118-T135 HydrophobicContact CB-CG2 4.08Å; I119-T135 VanDerWaalsContact O-CA 3.32Å; I119-T135 WeakPolarHBondContact O-CA 3.49Å; N120-T135 VanDerWaalsContact OD1-CG2 3.26Å; N120-T135 WeakPolarHBondContact OD1-CG2 3.14Å; N120-T135 PolarHBondContact OD1-OG1 2.97Å; T135-E137 HydrophobicContact CG2-CG 3.7Å; T135-Y150 CarbonylContact O-C 3.59Å; T135-Y150 VanDerWaalsContact O-CA 3.24Å; T135-Y150 WeakPolarHBondContact O-CA 3.38Å; T135-T151 PolarHBondContact N-OG1 3.38Å; T135-T151 PolarHBondContact O-N 3.48Å; T135-T151 PolarHBondContact O-OG1 3.46Å
136	K	94.6	Very high	90.9	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.8	163.6	-174.5	76.8	177.9	-78.1	0	106.8	R118 I119 F138 T149 W192 F193 D202	R118-K136 CarbonylContact C-O 3.45Å; R118-K136 WeakPolarHBondContact CA-O 3.08Å; I119-K136 PolarHBondContact N-O 2.83Å; I119-K136 PolarHBondContact O-N 3.32Å; K136-F138 HydrophobicContact CB-CE2 4.45Å; K136-F138 HydrophobicContact CG-CE1 4.45Å; K136-F138 HydrophobicContact CG-CE2 3.7Å; K136-F138 HydrophobicContact CG-CZ 3.63Å; K136-T149 CarbonylContact C-O 3.55Å; K136-T149 WeakPolarHBondContact CA-O 3.46Å; K136-W192 HydrophobicContact CB-CH2 3.83Å; K136-W192 HydrophobicContact CB-CZ2 4.32Å; K136-W192 HydrophobicContact CB-CZ3 4.01Å; K136-W192 HydrophobicContact CG-CH2 3.92Å; K136-W192 HydrophobicContact CG-CZ2 3.86Å; K136-W192 HydrophobicContact CG-CZ3 4.34Å; K136-W192 PolarHBondContact NZ-O 3.34Å; K136-F193 HydrophobicContact CB-CD1 4.42Å; K136-F193 HydrophobicContact CB-CE1 4.28Å; K136-D202 IonicContact NZ-OD2 3.51Å; K136-D202 PolarHBondContact NZ-OD2 3.45Å
137	E	92.8	Very high	90.5	Very high	40 Å²	40	57.3 Å²	57.3	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140	178	-47.9	-162.6	150.3	0	0	110	F110 R118 T135 H139 S148 T149	F110-E137 HydrophobicContact CZ-CB 4.38Å; R118-E137 HydrophobicContact CB-CB 4.12Å; R118-E137 HydrophobicContact CB-CG 3.68Å; R118-E137 WeakPolarHBondContact CD-OE1 3.26Å; R118-E137 IonicContact NH1-OE1 3.75Å; R118-E137 PolarHBondContact NH1-OE1 2.73Å; T135-E137 HydrophobicContact CG2-CG 3.7Å; E137-H139 WeakPolarHBondContact CB-NE2 3.15Å; E137-H139 IonicContact OE2-CE1 3.47Å; E137-H139 IonicContact OE2-NE2 2.66Å; E137-H139 PolarHBondContact OE2-NE2 2.94Å; E137-S148 CarbonylContact O-C 3.55Å; E137-S148 WeakPolarHBondContact O-CA 3.4Å; E137-S148 WeakPolarHBondContact O-CB 3.28Å; E137-T149 WeakPolarHBondContact CB-OG1 2.94Å; E137-T149 PolarHBondContact N-O 3.37Å; E137-T149 PolarHBondContact O-N 2.91Å
138	F	91.2	Very high	90.1	Very high	21 Å²	21	52.9 Å²	52.9	9%	0.092	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.2	175	-61.7	-84.6	0	0	0	107.7	F110 G116 F117 I119 K136 W192 D202	F110-F138 WeakPolarHBondContact CE2-O 3.42Å; G116-F138 CarbonylContact C-O 3.51Å; G116-F138 VanDerWaalsContact CA-O 3.29Å; G116-F138 WeakPolarHBondContact CA-O 3.39Å; F117-F138 HydrophobicContact CD1-CB 4.08Å; F117-F138 AromaticContact CD2-CD2 3.92Å; F117-F138 HydrophobicContact CD2-CD2 3.92Å; F117-F138 HydrophobicContact CE1-CB 3.79Å; F117-F138 HydrophobicContact CE1-CD2 4.01Å; F117-F138 HydrophobicContact CE1-CG 4.03Å; F117-F138 HydrophobicContact CE2-CB 4.49Å; F117-F138 AromaticContact CE2-CD2 3.28Å; F117-F138 HydrophobicContact CE2-CD2 3.28Å; F117-F138 AromaticContact CE2-CE2 3.76Å; F117-F138 HydrophobicContact CE2-CE2 3.76Å; F117-F138 HydrophobicContact CE2-CG 4.13Å; F117-F138 HydrophobicContact CZ-CB 4.02Å; F117-F138 AromaticContact CZ-CD2 3.33Å; F117-F138 HydrophobicContact CZ-CD2 3.33Å; F117-F138 AromaticContact CZ-CE2 3.93Å; F117-F138 HydrophobicContact CZ-CE2 3.93Å; F117-F138 AromaticContact CZ-CG 3.74Å; F117-F138 HydrophobicContact CZ-CG 3.74Å; F117-F138 PolarHBondContact N-O 3Å; F117-F138 PolarHBondContact O-N 2.93Å; F117-F138 VanDerWaalsContact O-O 3.13Å; I119-F138 HydrophobicContact CD1-CE2 4.19Å; K136-F138 HydrophobicContact CB-CE2 4.45Å; K136-F138 HydrophobicContact CG-CE1 4.45Å; K136-F138 HydrophobicContact CG-CE2 3.7Å; K136-F138 HydrophobicContact CG-CZ 3.63Å; F138-W192 HydrophobicContact CE2-CZ2 4.1Å; F138-W192 AromaticContact CZ-CZ2 3.77Å; F138-W192 HydrophobicContact CZ-CZ2 3.77Å; F138-D202 HydrophobicContact CD1-CB 4.47Å; F138-D202 HydrophobicContact CE1-CB 3.55Å; F138-D202 WeakPolarHBondContact CE1-OD2 3.38Å; F138-D202 HydrophobicContact CZ-CB 4.08Å; F138-D202 WeakPolarHBondContact CZ-OD2 3.48Å
139	H	89.1	Confident	89.8	Confident	58 Å²	58	55 Å²	55	27%	0.269	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.5	-174.8	-69.7	-94.8	0	0	0	108.9	F110 S115 E137 P146 S147	F110-H139 AromaticContact CE2-CE1 3.33Å; F110-H139 WeakPolarHBondContact CE2-CE1 3.39Å; F110-H139 AromaticContact CE2-ND1 3.42Å; F110-H139 WeakPolarHBondContact CE2-ND1 3.12Å; F110-H139 AromaticContact CE2-NE2 3.91Å; F110-H139 AromaticContact CZ-CE1 3.45Å; F110-H139 VanDerWaalsContact CZ-CE1 3.45Å; F110-H139 WeakPolarHBondContact CZ-CE1 3.43Å; F110-H139 AromaticContact CZ-NE2 3.76Å; S115-H139 CarbonylContact O-C 3.6Å; S115-H139 VanDerWaalsContact O-CA 3.24Å; S115-H139 WeakPolarHBondContact O-CA 3.03Å; E137-H139 WeakPolarHBondContact CB-NE2 3.15Å; E137-H139 IonicContact OE2-CE1 3.47Å; E137-H139 IonicContact OE2-NE2 2.66Å; E137-H139 PolarHBondContact OE2-NE2 2.94Å; H139-P146 CarbonylContact O-C 3.46Å; H139-P146 WeakPolarHBondContact O-CA 3.37Å; H139-S147 WeakPolarHBondContact CB-OG 3.41Å; H139-S147 PolarHBondContact N-O 2.69Å; H139-S147 PolarHBondContact O-N 3.4Å
140	L	85.8	Confident	89.6	Confident	81 Å²	81	58.5 Å²	58.5	42%	0.424	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109	169.1	-172.7	66.2	0	0	0	107.5	K114 S115 G144 P146	K114-L140 WeakPolarHBondContact O-CB 3.33Å; S115-L140 PolarHBondContact O-N 2.85Å; L140-G144 VanDerWaalsContact CD1-O 3.29Å; L140-G144 WeakPolarHBondContact CD1-O 3.21Å; L140-P146 HydrophobicContact CD1-CB 4.05Å
141	G	77.4	Confident	89.5	Confident	34 Å²	34	54.8 Å²	54.8	35%	0.351	32%	0.324	S	S	.	.			trans	-69.4	167.2	-178.9	0	0	0	0	0	112.6	S143 G144 E145	G141-S143 PolarHBondContact O-N 3.25Å; G141-S143 VanDerWaalsContact O-N 3.08Å; G141-G144 WeakPolarHBondContact O-CA 3.17Å; G141-G144 PolarHBondContact O-N 3.14Å; G141-E145 PolarHBondContact N-O 3.03Å
142	D	76.4	Confident	89.3	Confident	181 Å²	181	61.9 Å²	61.9	97%	0.968	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	177.4	-63.4	-27.6	0	0	0	113.2	G144	D142-G144 PolarHBondContact O-N 3.45Å
143	S	78.7	Confident	89.3	Confident	90 Å²	90	58.6 Å²	58.6	63%	0.629	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.2	174.2	55.7	0	0	0	0	113.8	G141 E145	G141-S143 PolarHBondContact O-N 3.25Å; G141-S143 VanDerWaalsContact O-N 3.08Å; S143-E145 VanDerWaalsContact C-N 3.25Å; S143-E145 PolarHBondContact OG-N 3.21Å
144	G	79	Confident	89.2	Confident	38 Å²	38	60.2 Å²	60.2	39%	0.392	34%	0.336	S	S	.	.	S	Bend	trans	77.2	7.4	-169.1	0	0	0	0	0	113.8	L140 G141 D142 P146	L140-G144 VanDerWaalsContact CD1-O 3.29Å; L140-G144 WeakPolarHBondContact CD1-O 3.21Å; G141-G144 WeakPolarHBondContact O-CA 3.17Å; G141-G144 PolarHBondContact O-N 3.14Å; D142-G144 PolarHBondContact O-N 3.45Å; G144-P146 WeakPolarHBondContact O-CD 3.49Å
145	E	82.7	Confident	89.2	Confident	142 Å²	142	61.8 Å²	61.8	66%	0.664	34%	0.342	S	S	*	.			trans	-78.3	117.5	173.3	-68.3	-178.1	165.6	0	0	109.1	G141 S143	G141-E145 PolarHBondContact N-O 3.03Å; S143-E145 VanDerWaalsContact C-N 3.25Å; S143-E145 PolarHBondContact OG-N 3.21Å
146	P	86.4	Confident	89.2	Confident	32 Å²	32	64.4 Å²	64.4	21%	0.208	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	147.4	175.8	36.7	-36.4	0	0	0	108.6	H139 L140 G144 V199 F200	H139-P146 CarbonylContact O-C 3.46Å; H139-P146 WeakPolarHBondContact O-CA 3.37Å; L140-P146 HydrophobicContact CD1-CB 4.05Å; G144-P146 WeakPolarHBondContact O-CD 3.49Å; P146-V199 HydrophobicContact CB-CG1 3.71Å; P146-V199 WeakPolarHBondContact CB-O 3.46Å; P146-V199 HydrophobicContact CG-CG1 3.94Å; P146-V199 WeakPolarHBondContact CG-O 3.48Å; P146-V199 WeakPolarHBondContact O-CG1 3.27Å; P146-F200 HydrophobicContact CG-CD1 4.19Å; P146-F200 HydrophobicContact CG-CD2 3.4Å; P146-F200 HydrophobicContact CG-CE1 4.05Å; P146-F200 HydrophobicContact CG-CE2 3.25Å; P146-F200 HydrophobicContact CG-CG 3.89Å; P146-F200 HydrophobicContact CG-CZ 3.59Å
147	S	87.6	Confident	89.3	Confident	59 Å²	59	70.5 Å²	70.5	41%	0.413	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154	173	55.7	0	0	0	0	109	H139 V199	H139-S147 WeakPolarHBondContact CB-OG 3.41Å; H139-S147 PolarHBondContact N-O 2.69Å; H139-S147 PolarHBondContact O-N 3.4Å; S147-V199 VanDerWaalsContact C-CG1 3.43Å
148	S	89.4	Confident	89.3	Confident	23 Å²	23	72.7 Å²	72.7	16%	0.161	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.7	172.2	71.9	0	0	0	0	110.7	E137	E137-S148 CarbonylContact O-C 3.55Å; E137-S148 WeakPolarHBondContact O-CA 3.4Å; E137-S148 WeakPolarHBondContact O-CB 3.28Å
149	T	91.3	Very high	89.5	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.6	173	71.2	0	0	0	0	109.9	K136 E137	K136-T149 CarbonylContact C-O 3.55Å; K136-T149 WeakPolarHBondContact CA-O 3.46Å; E137-T149 WeakPolarHBondContact CB-OG1 2.94Å; E137-T149 PolarHBondContact N-O 3.37Å; E137-T149 PolarHBondContact O-N 2.91Å
150	Y	93.5	Very high	89.7	Confident	75 Å²	75	74.5 Å²	74.5	29%	0.294	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.6	-175.5	57.3	-92.2	0	0	0	112.8	T135 F193 T194 E196	T135-Y150 CarbonylContact O-C 3.59Å; T135-Y150 VanDerWaalsContact O-CA 3.24Å; T135-Y150 WeakPolarHBondContact O-CA 3.38Å; Y150-F193 WeakPolarHBondContact CB-O 3.3Å; Y150-F193 WeakPolarHBondContact CD1-O 3.49Å; Y150-F193 WeakPolarHBondContact CD2-O 3.29Å; Y150-F193 WeakPolarHBondContact CE1-O 3.21Å; Y150-F193 WeakPolarHBondContact CE2-O 2.82Å; Y150-T194 HydrophobicContact CE2-CG2 4.29Å; Y150-E196 HydrophobicContact CE1-CG 3.83Å; Y150-E196 PolarHBondContact OH-OE1 2.62Å
151	T	95.4	Very high	90	Very high	39 Å²	39	71.8 Å²	71.8	24%	0.239	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-77.5	120.7	169.4	-59	0	0	0	0	109.8	N131 L134 T135 I153	N131-T151 WeakPolarHBondContact ND2-CG2 3.39Å; L134-T151 HydrophobicContact CD2-CG2 4.04Å; T135-T151 PolarHBondContact N-OG1 3.38Å; T135-T151 PolarHBondContact O-N 3.48Å; T135-T151 PolarHBondContact O-OG1 3.46Å; T151-I153 PolarHBondContact O-N 2.98Å
152	K	94.9	Very high	90.6	Very high	178 Å²	178	71.3 Å²	71.3	77%	0.774	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-62.2	126.8	169.6	-176.7	174.3	-178.7	172.6	0	110.4	N131 D154	N131-K152 PolarHBondContact ND2-O 3.28Å; K152-D154 PolarHBondContact O-N 3.37Å
153	I	96.5	Very high	90.7	Very high	15 Å²	15	65.2 Å²	65.2	8%	0.077	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-78.6	121.9	178.5	-48.2	176	0	0	0	109.4	F129 L134 T151 W155 F190 F193	F129-I153 HydrophobicContact CB-CG2 3.67Å; F129-I153 HydrophobicContact CD1-CG2 3.67Å; F129-I153 HydrophobicContact CE1-CG2 4.48Å; F129-I153 HydrophobicContact CG-CG2 3.8Å; L134-I153 HydrophobicContact CD1-CD1 4.06Å; L134-I153 HydrophobicContact CD1-CG1 4.07Å; L134-I153 HydrophobicContact CD2-CG1 3.92Å; L134-I153 HydrophobicContact CD2-CG2 4.47Å; T151-I153 PolarHBondContact O-N 2.98Å; I153-W155 HydrophobicContact CB-CD2 4.41Å; I153-W155 HydrophobicContact CB-CZ2 4.31Å; I153-W155 HydrophobicContact CD1-CZ2 3.66Å; I153-W155 HydrophobicContact CG2-CD2 3.62Å; I153-W155 VanDerWaalsContact CG2-CE2 3.42Å; I153-W155 HydrophobicContact CG2-CE3 4.2Å; I153-W155 HydrophobicContact CG2-CG 3.98Å; I153-W155 HydrophobicContact CG2-CH2 4.36Å; I153-W155 HydrophobicContact CG2-CZ2 3.81Å; I153-W155 PolarHBondContact O-N 2.77Å; I153-F190 HydrophobicContact CD1-CB 3.93Å; I153-F190 HydrophobicContact CD1-CD1 3.91Å; I153-F190 HydrophobicContact CD1-CG 4.33Å; I153-F193 HydrophobicContact CD1-CB 4.2Å; I153-F193 HydrophobicContact CD1-CD2 4.13Å; I153-F193 HydrophobicContact CD1-CG 4.31Å
154	D	96.9	Very high	89.9	Confident	72 Å²	72	65.6 Å²	65.6	39%	0.385	38%	0.376	S	S	.	.			trans	-89.6	73.5	174.9	-176.5	3.9	0	0	0	109.3	F129 K130 N131 K152	F129-D154 CarbonylContact C-O 3.51Å; F129-D154 WeakPolarHBondContact CA-O 3.17Å; F129-D154 VanDerWaalsContact CB-O 3.29Å; F129-D154 WeakPolarHBondContact CB-O 3.48Å; K130-D154 HydrophobicContact CB-CB 4.22Å; K130-D154 VanDerWaalsContact CD-OD2 3.27Å; K130-D154 WeakPolarHBondContact CD-OD2 3.38Å; K130-D154 HydrophobicContact CG-CB 4.36Å; K130-D154 WeakPolarHBondContact CG-OD2 3.27Å; K130-D154 PolarHBondContact N-O 2.78Å; K130-D154 IonicContact NZ-OD1 2.65Å; K130-D154 PolarHBondContact NZ-OD1 3.14Å; K130-D154 IonicContact NZ-OD2 2.77Å; K130-D154 PolarHBondContact NZ-OD2 3.03Å; N131-D154 PolarHBondContact OD1-N 3.42Å; K152-D154 PolarHBondContact O-N 3.37Å
155	W	97.3	Very high	88.9	Confident	34 Å²	34	65.2 Å²	65.2	13%	0.129	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-60.4	140.1	178.5	-63.4	110.1	0	0	0	112.2	W128 F129 I153 K159 D160 L161 T162 F190	W128-W155 HydrophobicContact CB-CE3 4.48Å; W128-W155 HydrophobicContact CB-CZ3 4.17Å; F129-W155 HydrophobicContact CB-CE3 4.25Å; F129-W155 HydrophobicContact CD1-CE3 4.03Å; F129-W155 HydrophobicContact CD1-CH2 4.21Å; F129-W155 AromaticContact CD1-CZ3 3.77Å; F129-W155 HydrophobicContact CD1-CZ3 3.77Å; F129-W155 HydrophobicContact CE1-CZ3 4.47Å; I153-W155 HydrophobicContact CB-CD2 4.41Å; I153-W155 HydrophobicContact CB-CZ2 4.31Å; I153-W155 HydrophobicContact CD1-CZ2 3.66Å; I153-W155 HydrophobicContact CG2-CD2 3.62Å; I153-W155 VanDerWaalsContact CG2-CE2 3.42Å; I153-W155 HydrophobicContact CG2-CE3 4.2Å; I153-W155 HydrophobicContact CG2-CG 3.98Å; I153-W155 HydrophobicContact CG2-CH2 4.36Å; I153-W155 HydrophobicContact CG2-CZ2 3.81Å; I153-W155 PolarHBondContact O-N 2.77Å; W155-K159 VanDerWaalsContact CZ3-O 3.32Å; W155-K159 WeakPolarHBondContact CZ3-O 3.4Å; W155-D160 HydrophobicContact CB-CB 3.96Å; W155-D160 HydrophobicContact CD2-CB 4.31Å; W155-D160 HydrophobicContact CG-CB 3.8Å; W155-D160 PolarHBondContact NE1-OD1 3.19Å; W155-L161 HydrophobicContact CH2-CB 3.86Å; W155-L161 HydrophobicContact CH2-CD1 4.03Å; W155-L161 HydrophobicContact CH2-CG 3.8Å; W155-L161 HydrophobicContact CZ2-CB 4.22Å; W155-L161 HydrophobicContact CZ3-CB 4.4Å; W155-L161 HydrophobicContact CZ3-CD1 4.26Å; W155-L161 HydrophobicContact CZ3-CG 3.92Å; W155-T162 HydrophobicContact CZ2-CG2 4.01Å; W155-F190 HydrophobicContact CH2-CB 3.98Å; W155-F190 HydrophobicContact CH2-CD1 4.22Å; W155-F190 AromaticContact CH2-CD2 3.95Å; W155-F190 HydrophobicContact CH2-CD2 3.95Å; W155-F190 AromaticContact CH2-CG 3.77Å; W155-F190 HydrophobicContact CH2-CG 3.77Å; W155-F190 HydrophobicContact CZ2-CB 3.76Å; W155-F190 HydrophobicContact CZ2-CD1 4.49Å; W155-F190 HydrophobicContact CZ2-CG 4.04Å
156	Y	97.4	Very high	87.2	Confident	75 Å²	75	62.5 Å²	62.5	29%	0.294	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-70.7	156.6	166.1	-68.9	-66	0	0	0	110.9	E127 W128 F129 K130 G158 K159	E127-Y156 WeakPolarHBondContact O-CD2 3.28Å; W128-Y156 VanDerWaalsContact C-CD2 3.43Å; W128-Y156 WeakPolarHBondContact O-CD2 3.39Å; W128-Y156 PolarHBondContact O-N 3.26Å; F129-Y156 VanDerWaalsContact C-CE2 3.48Å; F129-Y156 VanDerWaalsContact O-CE2 3.32Å; F129-Y156 WeakPolarHBondContact O-CE2 3.45Å; K130-Y156 HydrophobicContact CD-CE1 4.12Å; K130-Y156 HydrophobicContact CG-CD1 4.4Å; K130-Y156 HydrophobicContact CG-CE1 3.7Å; K130-Y156 HydrophobicContact CG-CE2 4.5Å; Y156-G158 PolarHBondContact O-N 2.93Å; Y156-K159 WeakPolarHBondContact O-CB 3.39Å; Y156-K159 PolarHBondContact O-N 2.79Å; Y156-K159 VanDerWaalsContact O-N 3.08Å
157	P	95.6	Very high	85.2	Confident	128 Å²	128	65.6 Å²	65.6	83%	0.831	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	125.6	179.8	-27.2	35.5	0	0	0	112.9	K159	P157-K159 VanDerWaalsContact C-N 3.31Å; P157-K159 PolarHBondContact O-N 2.87Å
158	G	92.8	Very high	83.2	Confident	87 Å²	87	66.3 Å²	66.3	90%	0.897	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.8	178.5	0	0	0	0	0	115.5	Y156	Y156-G158 PolarHBondContact O-N 2.93Å
159	K	94.8	Very high	81.2	Confident	56 Å²	56	74.2 Å²	74.2	24%	0.243	42%	0.415	C	S	.	.			trans	-111.6	2.7	-179.3	-62.5	-69	-164.1	160.6	0	113.7	E127 W128 W155 Y156 P157 L161	E127-K159 IonicContact OE2-NZ 2.79Å; E127-K159 PolarHBondContact OE2-NZ 3.43Å; W128-K159 HydrophobicContact CD2-CD 4.44Å; W128-K159 HydrophobicContact CE3-CB 4.09Å; W128-K159 HydrophobicContact CE3-CD 3.79Å; W128-K159 HydrophobicContact CE3-CG 4.45Å; W128-K159 HydrophobicContact CZ3-CD 3.95Å; W155-K159 VanDerWaalsContact CZ3-O 3.32Å; W155-K159 WeakPolarHBondContact CZ3-O 3.4Å; Y156-K159 WeakPolarHBondContact O-CB 3.39Å; Y156-K159 PolarHBondContact O-N 2.79Å; Y156-K159 VanDerWaalsContact O-N 3.08Å; P157-K159 VanDerWaalsContact C-N 3.31Å; P157-K159 PolarHBondContact O-N 2.87Å; K159-L161 PolarHBondContact O-N 2.92Å; K159-L161 VanDerWaalsContact O-N 3.09Å
160	D	94.1	Very high	78.9	Confident	60 Å²	60	79.5 Å²	79.5	32%	0.321	43%	0.433	S	S	.	.			trans	-71.3	101.6	-178.6	-174.6	-11	0	0	0	111.6	W155 T162 S163	W155-D160 HydrophobicContact CB-CB 3.96Å; W155-D160 HydrophobicContact CD2-CB 4.31Å; W155-D160 HydrophobicContact CG-CB 3.8Å; W155-D160 PolarHBondContact NE1-OD1 3.19Å; D160-T162 VanDerWaalsContact C-N 3.26Å; D160-T162 PolarHBondContact O-N 3.1Å; D160-T162 WeakPolarHBondContact OD1-CA 3.33Å; D160-T162 WeakPolarHBondContact OD1-CB 3.4Å; D160-T162 PolarHBondContact OD1-N 2.88Å; D160-T162 PolarHBondContact OD1-OG1 3.3Å; D160-S163 PolarHBondContact O-OG 2.92Å; D160-S163 PolarHBondContact OD1-N 3.07Å
161	L	92.4	Very high	76.4	Confident	25 Å²	25	81.9 Å²	81.9	13%	0.131	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.3	-179.8	-57.6	-174.3	0	0	0	113.1	N94 V98 W128 W155 K159 S188 F190	N94-L161 HydrophobicContact CB-CD1 4.03Å; N94-L161 HydrophobicContact CB-CD2 3.72Å; V98-L161 HydrophobicContact CG2-CD1 3.55Å; W128-L161 HydrophobicContact CE3-CD1 4.49Å; W128-L161 HydrophobicContact CE3-CD2 4.37Å; W128-L161 HydrophobicContact CZ3-CD1 4.5Å; W128-L161 HydrophobicContact CZ3-CD2 3.92Å; W128-L161 HydrophobicContact CZ3-CG 4.5Å; W155-L161 HydrophobicContact CH2-CB 3.86Å; W155-L161 HydrophobicContact CH2-CD1 4.03Å; W155-L161 HydrophobicContact CH2-CG 3.8Å; W155-L161 HydrophobicContact CZ2-CB 4.22Å; W155-L161 HydrophobicContact CZ3-CB 4.4Å; W155-L161 HydrophobicContact CZ3-CD1 4.26Å; W155-L161 HydrophobicContact CZ3-CG 3.92Å; K159-L161 PolarHBondContact O-N 2.92Å; K159-L161 VanDerWaalsContact O-N 3.09Å; L161-S188 WeakPolarHBondContact CB-OG 3.36Å; L161-S188 WeakPolarHBondContact O-CB 3.29Å; L161-F190 HydrophobicContact CD1-CD2 3.88Å; L161-F190 HydrophobicContact CD1-CE2 4.14Å
162	T	88.9	Confident	73.9	Confident	24 Å²	24	84.7 Å²	84.7	15%	0.147	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.2	-178.5	69.5	0	0	0	0	113.1	W155 D160 N164 S165 F190	W155-T162 HydrophobicContact CZ2-CG2 4.01Å; D160-T162 VanDerWaalsContact C-N 3.26Å; D160-T162 PolarHBondContact O-N 3.1Å; D160-T162 WeakPolarHBondContact OD1-CA 3.33Å; D160-T162 WeakPolarHBondContact OD1-CB 3.4Å; D160-T162 PolarHBondContact OD1-N 2.88Å; D160-T162 PolarHBondContact OD1-OG1 3.3Å; T162-N164 VanDerWaalsContact C-N 3.29Å; T162-N164 PolarHBondContact O-N 3.05Å; T162-S165 PolarHBondContact O-N 3.13Å; T162-F190 HydrophobicContact CG2-CB 4.08Å
163	S	79.4	Confident	71.4	Confident	53 Å²	53	78.9 Å²	78.9	37%	0.371	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.4	-171.9	61.6	0	0	0	0	114.6	D160 S166	D160-S163 PolarHBondContact O-OG 2.92Å; D160-S163 PolarHBondContact OD1-N 3.07Å; S163-S166 PolarHBondContact O-OG 3Å
164	N	62.7	Low	69	Low	98 Å²	98	86 Å²	86	52%	0.524	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-32.9	-177.6	-72.8	-16.3	0	0	0	113.7	T162 S166 N167 S168	T162-N164 VanDerWaalsContact C-N 3.29Å; T162-N164 PolarHBondContact O-N 3.05Å; N164-S166 PolarHBondContact O-N 3.25Å; N164-S166 VanDerWaalsContact O-N 3.13Å; N164-N167 PolarHBondContact O-N 3.28Å; N164-S168 PolarHBondContact O-N 2.92Å; N164-S168 PolarHBondContact O-OG 2.97Å; N164-S168 VanDerWaalsContact O-OG 3.1Å
165	S	56.4	Low	66.6	Low	29 Å²	29	91.6 Å²	91.6	20%	0.203	54%	0.54	C	S	.	.	H	α-helix	trans	-58.7	-31.7	-178.1	-179.7	0	0	0	0	112.2	T162 N167 D187	T162-S165 PolarHBondContact O-N 3.13Å; S165-N167 VanDerWaalsContact C-N 3.32Å; S165-N167 PolarHBondContact O-N 3.09Å; S165-D187 WeakPolarHBondContact CA-OD1 3.32Å; S165-D187 WeakPolarHBondContact CB-OD1 3.4Å; S165-D187 VanDerWaalsContact OG-CG 3.24Å; S165-D187 PolarHBondContact OG-OD1 3.27Å; S165-D187 PolarHBondContact OG-OD2 3.08Å
166	S	48.3	Very low	64.3	Low	85 Å²	85	94.2 Å²	94.2	59%	0.594	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-23.6	177.8	72.5	0	0	0	0	114.7	S163 N164	S163-S166 PolarHBondContact O-OG 3Å; N164-S166 PolarHBondContact O-N 3.25Å; N164-S166 VanDerWaalsContact O-N 3.13Å
167	N	43.1	Very low	61.7	Low	97 Å²	97	100.3 Å²	100.3	52%	0.519	60%	0.597	S	S	.	*	H	α-helix	trans	-98	-22.6	-175.9	-83.3	-21.9	0	0	0	113.6	N164 S165 K169 K170	N164-N167 PolarHBondContact O-N 3.28Å; S165-N167 VanDerWaalsContact C-N 3.32Å; S165-N167 PolarHBondContact O-N 3.09Å; N167-K169 VanDerWaalsContact C-N 3.26Å; N167-K169 PolarHBondContact O-N 2.82Å; N167-K170 PolarHBondContact O-N 3.43Å
168	S	45.6	Very low	59.3	Low	75 Å²	75	104.1 Å²	104.1	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-61.3	-32.9	179.6	-43.2	0	0	0	0	112.4	N164 K170	N164-S168 PolarHBondContact O-N 2.92Å; N164-S168 PolarHBondContact O-OG 2.97Å; N164-S168 VanDerWaalsContact O-OG 3.1Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 3.2Å
169	K	47.8	Very low	57.2	Low	189 Å²	189	109.7 Å²	109.7	82%	0.822	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-4.7	178.8	-78.2	172.7	179.4	158.9	0	115	N167	N167-K169 VanDerWaalsContact C-N 3.26Å; N167-K169 PolarHBondContact O-N 2.82Å
170	K	43.1	Very low	54.7	Low	176 Å²	176	112.7 Å²	112.7	77%	0.765	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-14.6	-172.8	-80.6	-176.2	177.7	170.8	0	116.9	N167 S168	N167-K170 PolarHBondContact O-N 3.43Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 3.2Å
171	N	40.6	Very low	52.2	Low	124 Å²	124	118.7 Å²	118.7	66%	0.663	64%	0.641	S	S	*	*			trans	-122.7	77.7	-172.2	-72.8	-22.4	0	0	0	113.1	G173	N171-G173 PolarHBondContact O-N 3.11Å
172	G	42.8	Very low	50	Low	98 Å²	98	125.6 Å²	125.6	100%	1.01	67%	0.673	S	S	*	*			trans	-72.9	57.5	158.4	0	0	0	0	0	111.6
173	G	42.9	Very low	48.1	Very low	57 Å²	57	126.8 Å²	126.8	59%	0.588	68%	0.678	S	S	*	*			trans	-131.7	111.3	-171.9	0	0	0	0	0	112.5	N171 Q175	N171-G173 PolarHBondContact O-N 3.11Å; G173-Q175 PolarHBondContact O-N 3.4Å
174	D	46.1	Very low	46.6	Very low	163 Å²	163	128.6 Å²	128.6	87%	0.872	68%	0.681	S	S	*	*	S	Bend	trans	-45.3	91.4	168	-74.6	-43.4	0	0	0	112.2
175	Q	45.9	Very low	46.1	Very low	191 Å²	191	129.6 Å²	129.6	89%	0.893	69%	0.69	S	S	*	*			trans	176.6	81.9	157.9	-101	160	95.8	0	0	112.7	G173	G173-Q175 PolarHBondContact O-N 3.4Å
176	A	49.4	Very low	46.4	Very low	89 Å²	89	131.9 Å²	131.9	74%	0.736	70%	0.698	S	S	*	*			trans	-142.3	89.5	158.3	0	0	0	0	0	110.5
177	K	43.5	Very low	48	Very low	202 Å²	202	131.4 Å²	131.4	88%	0.878	69%	0.689	S	S	*	*			trans	-67.7	128.2	172.8	-75.7	172.4	174.9	169.9	0	110.6
178	K	45.6	Very low	50.3	Low	209 Å²	209	127.2 Å²	127.2	91%	0.909	67%	0.667	S	S	*	*	S	Bend	trans	58.6	49.4	148.5	-71.5	-171.8	173.7	-174.5	0	118.2
179	R	48.1	Very low	52.5	Low	203 Å²	203	124 Å²	124	77%	0.766	64%	0.644	S	S	*	*	S	Bend	trans	-119.3	138	154.7	-73.5	-172.5	-93.6	-174.3	-2.4	107.6	F181 Q184	R179-F181 PolarHBondContact O-N 3.46Å; R179-Q184 PolarHBondContact O-NE2 3.38Å; R179-Q184 VanDerWaalsContact O-NE2 3.13Å
180	T	41.5	Very low	54.7	Low	119 Å²	119	115 Å²	115	73%	0.73	61%	0.605	S	S	*	*			trans	-36.5	119.5	-171	-16.7	0	0	0	0	111	E182 Q184	T180-E182 VanDerWaalsContact C-N 3.31Å; T180-E182 PolarHBondContact O-N 3.36Å; T180-Q184 PolarHBondContact O-NE2 2.95Å
181	F	42.6	Very low	57	Low	187 Å²	187	107.4 Å²	107.4	82%	0.82	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-72.6	-20.4	-163	-177.9	-103	0	0	0	113.4	R179	R179-F181 PolarHBondContact O-N 3.46Å
182	E	45.5	Very low	59.4	Low	170 Å²	170	102.4 Å²	102.4	79%	0.794	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-75.8	-31.4	-176.8	-100.4	146.1	149	0	0	115.1	T180	T180-E182 VanDerWaalsContact C-N 3.31Å; T180-E182 PolarHBondContact O-N 3.36Å
183	D	49.9	Very low	61.6	Low	48 Å²	48	97.8 Å²	97.8	26%	0.257	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-94.2	2.3	-166.7	-146.7	35.7	0	0	0	113.7	T92 S93 N94	T92-D183 WeakPolarHBondContact CB-OD1 3.21Å; S93-D183 PolarHBondContact N-OD1 3.37Å; N94-D183 PolarHBondContact ND2-OD2 2.85Å
184	Q	47.2	Very low	63.5	Low	91 Å²	91	98 Å²	98	43%	0.425	49%	0.488	S	S	.	.	S	Bend	trans	-105.2	-10	-167.9	-88.2	171.1	78.3	0	0	115.4	R179 T180	R179-Q184 PolarHBondContact O-NE2 3.38Å; R179-Q184 VanDerWaalsContact O-NE2 3.13Å; T180-Q184 PolarHBondContact O-NE2 2.95Å
185	T	51.6	Low	64.9	Low	119 Å²	119	93 Å²	93	73%	0.73	46%	0.461	S	S	*	.	S	Bend	trans	-103	-20.7	-177.6	50.4	0	0	0	0	113.7
186	Q	63.3	Low	65.9	Low	78 Å²	78	90.2 Å²	90.2	36%	0.364	45%	0.448	S	S	.	.	S	Bend	trans	-91.9	130.1	-178.9	-165.5	168.5	-61	0	0	110	D89 L90 L91 T92	D89-Q186 PolarHBondContact O-NE2 3.33Å; D89-Q186 PolarHBondContact O-OE1 3.07Å; L90-Q186 PolarHBondContact O-NE2 2.93Å; L91-Q186 PolarHBondContact O-NE2 2.83Å; T92-Q186 HydrophobicContact CG2-CB 4.11Å; T92-Q186 HydrophobicContact CG2-CG 4.29Å
187	D	82.3	Confident	66.4	Low	74 Å²	74	91 Å²	91	40%	0.396	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-67.1	134.6	172.2	-78.6	-17.7	0	0	0	108.7	S165	S165-D187 WeakPolarHBondContact CA-OD1 3.32Å; S165-D187 WeakPolarHBondContact CB-OD1 3.4Å; S165-D187 VanDerWaalsContact OG-CG 3.24Å; S165-D187 PolarHBondContact OG-OD1 3.27Å; S165-D187 PolarHBondContact OG-OD2 3.08Å
188	S	90.8	Very high	66.9	Low	10 Å²	10	82.5 Å²	82.5	7%	0.07	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-58.1	143.2	177.1	162.3	0	0	0	0	110.7	D95 L161 F190 C191	D95-S188 WeakPolarHBondContact OD1-CB 3.4Å; D95-S188 PolarHBondContact OD1-OG 3.03Å; D95-S188 WeakPolarHBondContact OD2-CA 3.18Å; L161-S188 WeakPolarHBondContact CB-OG 3.36Å; L161-S188 WeakPolarHBondContact O-CB 3.29Å; S188-F190 PolarHBondContact O-N 2.89Å; S188-F190 PolarHBondContact OG-N 3.38Å; S188-F190 VanDerWaalsContact OG-N 3.13Å; S188-C191 WeakPolarHBondContact O-CB 3.22Å; S188-C191 PolarHBondContact O-N 3.31Å; S188-C191 PolarHBondContact O-SG 3.09Å
189	F	92.5	Very high	67.6	Low	7 Å²	7	74.4 Å²	74.4	3%	0.031	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-36.7	169.8	169	-95.9	0	0	0	112.6	L91 D95 F121 C191 W192 F193 L204	L91-F189 HydrophobicContact CD2-CB 3.8Å; L91-F189 HydrophobicContact CD2-CD2 4.1Å; L91-F189 HydrophobicContact CD2-CG 3.98Å; D95-F189 HydrophobicContact CB-CB 4.24Å; D95-F189 PolarHBondContact OD2-N 3.26Å; F121-F189 HydrophobicContact CE1-CZ 4Å; F121-F189 HydrophobicContact CZ-CZ 4.16Å; F189-C191 PolarHBondContact O-N 2.99Å; F189-W192 HydrophobicContact CZ-CE3 4.32Å; F189-W192 WeakPolarHBondContact O-CB 3.35Å; F189-W192 PolarHBondContact O-N 3.46Å; F189-W192 VanDerWaalsContact O-N 3.07Å; F189-F193 HydrophobicContact CE1-CE2 4.17Å; F189-L204 HydrophobicContact CD2-CD2 4.18Å; F189-L204 HydrophobicContact CE2-CD2 3.89Å
190	F	93.7	Very high	67.9	Low	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14	-178.7	-65.5	-82.6	0	0	0	113.9	D95 V98 L99 F123 F129 L134 I153 W155 L161 T162 S188 W192 F193	D95-F190 HydrophobicContact CB-CE2 4.35Å; D95-F190 VanDerWaalsContact OD1-CD2 3.22Å; D95-F190 WeakPolarHBondContact OD1-CD2 3.46Å; V98-F190 HydrophobicContact CB-CE2 3.63Å; V98-F190 HydrophobicContact CB-CZ 3.6Å; V98-F190 HydrophobicContact CG1-CE1 4.17Å; V98-F190 HydrophobicContact CG1-CE2 3.86Å; V98-F190 HydrophobicContact CG1-CZ 3.37Å; V98-F190 HydrophobicContact CG2-CE2 3.76Å; V98-F190 HydrophobicContact CG2-CZ 4.17Å; L99-F190 HydrophobicContact CD2-CZ 4.5Å; F123-F190 HydrophobicContact CZ-CE1 4.08Å; F123-F190 HydrophobicContact CZ-CZ 4.34Å; F129-F190 HydrophobicContact CE1-CE1 4.03Å; F129-F190 HydrophobicContact CE1-CZ 4.44Å; L134-F190 HydrophobicContact CD1-CD1 4.07Å; L134-F190 HydrophobicContact CD1-CE1 3.99Å; I153-F190 HydrophobicContact CD1-CB 3.93Å; I153-F190 HydrophobicContact CD1-CD1 3.91Å; I153-F190 HydrophobicContact CD1-CG 4.33Å; W155-F190 HydrophobicContact CH2-CB 3.98Å; W155-F190 HydrophobicContact CH2-CD1 4.22Å; W155-F190 AromaticContact CH2-CD2 3.95Å; W155-F190 HydrophobicContact CH2-CD2 3.95Å; W155-F190 AromaticContact CH2-CG 3.77Å; W155-F190 HydrophobicContact CH2-CG 3.77Å; W155-F190 HydrophobicContact CZ2-CB 3.76Å; W155-F190 HydrophobicContact CZ2-CD1 4.49Å; W155-F190 HydrophobicContact CZ2-CG 4.04Å; L161-F190 HydrophobicContact CD1-CD2 3.88Å; L161-F190 HydrophobicContact CD1-CE2 4.14Å; T162-F190 HydrophobicContact CG2-CB 4.08Å; S188-F190 PolarHBondContact O-N 2.89Å; S188-F190 PolarHBondContact OG-N 3.38Å; S188-F190 VanDerWaalsContact OG-N 3.13Å; F190-W192 PolarHBondContact O-N 2.98Å; F190-F193 HydrophobicContact CD1-CD2 4.2Å; F190-F193 HydrophobicContact CD1-CE2 4.11Å; F190-F193 PolarHBondContact O-N 3.22Å
191	C	91.1	Very high	69	Low	16 Å²	16	69.9 Å²	69.9	11%	0.108	37%	0.373	C	S	.	.	H	α-helix	trans	-60.6	-27.2	169.6	-68.5	0	0	0	0	111.9	S188 F189 F193 T194 D195	S188-C191 WeakPolarHBondContact O-CB 3.22Å; S188-C191 PolarHBondContact O-N 3.31Å; S188-C191 PolarHBondContact O-SG 3.09Å; F189-C191 PolarHBondContact O-N 2.99Å; C191-F193 PolarHBondContact O-N 3.08Å; C191-T194 CarbonylContact O-C 3.54Å; C191-T194 PolarHBondContact O-N 2.87Å; C191-T194 PolarHBondContact O-OG1 3.18Å; C191-D195 PolarHBondContact O-N 2.89Å
192	W	90.8	Very high	70.9	Confident	19 Å²	19	61.6 Å²	61.6	7%	0.072	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-28	175.9	178	64.9	0	0	0	113.5	I119 F121 K136 F138 F189 F190 T194 D202 L204 I208	I119-W192 HydrophobicContact CD1-CH2 3.9Å; I119-W192 HydrophobicContact CD1-CZ2 4.4Å; F121-W192 HydrophobicContact CE2-CH2 4.24Å; F121-W192 AromaticContact CE2-CZ3 3.65Å; F121-W192 HydrophobicContact CE2-CZ3 3.65Å; F121-W192 HydrophobicContact CZ-CH2 4.34Å; F121-W192 AromaticContact CZ-CZ3 3.75Å; F121-W192 HydrophobicContact CZ-CZ3 3.75Å; K136-W192 HydrophobicContact CB-CH2 3.83Å; K136-W192 HydrophobicContact CB-CZ2 4.32Å; K136-W192 HydrophobicContact CB-CZ3 4.01Å; K136-W192 HydrophobicContact CG-CH2 3.92Å; K136-W192 HydrophobicContact CG-CZ2 3.86Å; K136-W192 HydrophobicContact CG-CZ3 4.34Å; K136-W192 PolarHBondContact NZ-O 3.34Å; F138-W192 HydrophobicContact CE2-CZ2 4.1Å; F138-W192 AromaticContact CZ-CZ2 3.77Å; F138-W192 HydrophobicContact CZ-CZ2 3.77Å; F189-W192 HydrophobicContact CZ-CE3 4.32Å; F189-W192 WeakPolarHBondContact O-CB 3.35Å; F189-W192 PolarHBondContact O-N 3.46Å; F189-W192 VanDerWaalsContact O-N 3.07Å; F190-W192 PolarHBondContact O-N 2.98Å; W192-T194 VanDerWaalsContact C-N 3.32Å; W192-D202 PolarHBondContact NE1-OD1 3.47Å; W192-D202 PolarHBondContact NE1-OD2 2.96Å; W192-L204 HydrophobicContact CB-CD2 4.06Å; W192-L204 HydrophobicContact CD2-CD2 3.76Å; W192-L204 HydrophobicContact CD2-CG 4.32Å; W192-L204 HydrophobicContact CE3-CD2 4.33Å; W192-L204 HydrophobicContact CG-CD2 3.63Å; W192-L204 HydrophobicContact CZ2-CG 4.45Å; W192-I208 HydrophobicContact CH2-CD1 4.11Å; W192-I208 HydrophobicContact CZ3-CD1 4.38Å
193	F	89.7	Confident	72.9	Confident	1 Å²	1	59 Å²	59	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-68.9	-33.5	172.1	-73	-84.5	0	0	0	111.2	F121 L134 K136 Y150 I153 F189 F190 C191	F121-F193 HydrophobicContact CD2-CE1 4.23Å; F121-F193 AromaticContact CD2-CZ 3.67Å; F121-F193 HydrophobicContact CD2-CZ 3.67Å; F121-F193 HydrophobicContact CE2-CE1 4.46Å; F121-F193 AromaticContact CE2-CZ 3.9Å; F121-F193 HydrophobicContact CE2-CZ 3.9Å; F121-F193 HydrophobicContact CG-CZ 4.25Å; L134-F193 HydrophobicContact CB-CD1 4.28Å; L134-F193 HydrophobicContact CB-CE1 3.57Å; L134-F193 HydrophobicContact CB-CE2 4.37Å; L134-F193 HydrophobicContact CB-CZ 3.62Å; L134-F193 HydrophobicContact CD1-CD2 4.5Å; L134-F193 HydrophobicContact CD1-CE2 4.09Å; L134-F193 HydrophobicContact CD1-CZ 4.17Å; K136-F193 HydrophobicContact CB-CD1 4.42Å; K136-F193 HydrophobicContact CB-CE1 4.28Å; Y150-F193 WeakPolarHBondContact CB-O 3.3Å; Y150-F193 WeakPolarHBondContact CD1-O 3.49Å; Y150-F193 WeakPolarHBondContact CD2-O 3.29Å; Y150-F193 WeakPolarHBondContact CE1-O 3.21Å; Y150-F193 WeakPolarHBondContact CE2-O 2.82Å; I153-F193 HydrophobicContact CD1-CB 4.2Å; I153-F193 HydrophobicContact CD1-CD2 4.13Å; I153-F193 HydrophobicContact CD1-CG 4.31Å; F189-F193 HydrophobicContact CE1-CE2 4.17Å; F190-F193 HydrophobicContact CD1-CD2 4.2Å; F190-F193 HydrophobicContact CD1-CE2 4.11Å; F190-F193 PolarHBondContact O-N 3.22Å; C191-F193 PolarHBondContact O-N 3.08Å
194	T	82.1	Confident	74.8	Confident	63 Å²	63	57.6 Å²	57.6	39%	0.387	32%	0.317	S	S	.	.	H	α-helix	trans	-93.1	-3.7	-178.6	53.2	0	0	0	0	114.1	Y150 C191 W192 E196	Y150-T194 HydrophobicContact CE2-CG2 4.29Å; C191-T194 CarbonylContact O-C 3.54Å; C191-T194 PolarHBondContact O-N 2.87Å; C191-T194 PolarHBondContact O-OG1 3.18Å; W192-T194 VanDerWaalsContact C-N 3.32Å; T194-E196 PolarHBondContact O-N 3.35Å
195	D	75.6	Confident	77	Confident	57 Å²	57	53.3 Å²	53.3	31%	0.305	30%	0.297	S	S	.	.			trans	-78.1	106.8	-179.1	-168.4	4.2	0	0	0	111	C191 S197	C191-D195 PolarHBondContact O-N 2.89Å; D195-S197 WeakPolarHBondContact OD1-CA 3.3Å; D195-S197 VanDerWaalsContact OD1-CB 3.3Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-N 3.23Å; D195-S197 PolarHBondContact OD1-OG 3.41Å
196	E	66.5	Low	78.9	Confident	133 Å²	133	52.6 Å²	52.6	62%	0.621	29%	0.286	S	S	*	.			trans	-91	-2.9	174.6	-67.4	175.7	-169.9	0	0	112	Y150 T194	Y150-E196 HydrophobicContact CE1-CG 3.83Å; Y150-E196 PolarHBondContact OH-OE1 2.62Å; T194-E196 PolarHBondContact O-N 3.35Å
197	S	61	Low	80.4	Confident	106 Å²	106	49.7 Å²	49.7	74%	0.741	27%	0.273	S	S	*	.	S	Bend	trans	-92.3	-10.7	-166.6	71.2	0	0	0	0	115.8	D195	D195-S197 WeakPolarHBondContact OD1-CA 3.3Å; D195-S197 VanDerWaalsContact OD1-CB 3.3Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-N 3.23Å; D195-S197 PolarHBondContact OD1-OG 3.41Å
198	S	54.5	Low	81	Confident	23 Å²	23	46.2 Å²	46.2	16%	0.161	26%	0.255	C	S	.	.			trans	-112.5	32.5	-172.3	66	0	0	0	0	114.9	F200 D202	S198-F200 CarbonylContact O-C 3.59Å; S198-F200 PolarHBondContact O-N 2.92Å; S198-F200 VanDerWaalsContact O-N 3.13Å; S198-D202 WeakPolarHBondContact O-CB 3.42Å; S198-D202 PolarHBondContact O-N 3.13Å
199	V	59.4	Low	81.1	Confident	39 Å²	39	47.8 Å²	47.8	24%	0.236	26%	0.26	C	S	.	.	S	Bend	trans	-65	-23.2	-175.7	-162.5	0	0	0	0	113.2	P146 S147	P146-V199 HydrophobicContact CB-CG1 3.71Å; P146-V199 WeakPolarHBondContact CB-O 3.46Å; P146-V199 HydrophobicContact CG-CG1 3.94Å; P146-V199 WeakPolarHBondContact CG-O 3.48Å; P146-V199 WeakPolarHBondContact O-CG1 3.27Å; S147-V199 VanDerWaalsContact C-CG1 3.43Å
200	F	55.1	Low	81.2	Confident	175 Å²	175	52.2 Å²	52.2	77%	0.768	28%	0.284	S	S	*	.	S	Bend	trans	-100.6	110.8	159.8	-87.2	-84.6	0	0	0	108.8	P146 S198	P146-F200 HydrophobicContact CG-CD1 4.19Å; P146-F200 HydrophobicContact CG-CD2 3.4Å; P146-F200 HydrophobicContact CG-CE1 4.05Å; P146-F200 HydrophobicContact CG-CE2 3.25Å; P146-F200 HydrophobicContact CG-CG 3.89Å; P146-F200 HydrophobicContact CG-CZ 3.59Å; S198-F200 CarbonylContact O-C 3.59Å; S198-F200 PolarHBondContact O-N 2.92Å; S198-F200 VanDerWaalsContact O-N 3.13Å
201	G	63.6	Low	81.3	Confident	52 Å²	52	54.8 Å²	54.8	54%	0.536	30%	0.298	S	S	.	.			trans	85.7	42.7	175.8	0	0	0	0	0	114.6	E203	G201-E203 PolarHBondContact O-N 2.57Å
202	D	83.7	Confident	81.6	Confident	12 Å²	12	54 Å²	54	6%	0.064	29%	0.292	C	S	.	.			trans	-70.2	80.6	164.5	-168.1	-29	0	0	0	108.6	K136 F138 W192 S198 L204 G205 E206	K136-D202 IonicContact NZ-OD2 3.51Å; K136-D202 PolarHBondContact NZ-OD2 3.45Å; F138-D202 HydrophobicContact CD1-CB 4.47Å; F138-D202 HydrophobicContact CE1-CB 3.55Å; F138-D202 WeakPolarHBondContact CE1-OD2 3.38Å; F138-D202 HydrophobicContact CZ-CB 4.08Å; F138-D202 WeakPolarHBondContact CZ-OD2 3.48Å; W192-D202 PolarHBondContact NE1-OD1 3.47Å; W192-D202 PolarHBondContact NE1-OD2 2.96Å; S198-D202 WeakPolarHBondContact O-CB 3.42Å; S198-D202 PolarHBondContact O-N 3.13Å; D202-L204 PolarHBondContact O-N 3.37Å; D202-L204 PolarHBondContact OD1-N 2.88Å; D202-G205 PolarHBondContact O-N 3.09Å; D202-G205 PolarHBondContact OD1-N 3.17Å; D202-E206 PolarHBondContact O-N 3.45Å
203	E	87	Confident	81.9	Confident	115 Å²	115	53.8 Å²	53.8	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-54.1	-40.8	-177.7	-176.5	174.3	-169.3	0	0	111	Q86 G201 G205 E206 V207	Q86-E203 PolarHBondContact NE2-OE1 2.65Å; G201-E203 PolarHBondContact O-N 2.57Å; E203-G205 PolarHBondContact O-N 2.92Å; E203-E206 PolarHBondContact O-N 3.18Å; E203-V207 HydrophobicContact CG-CG2 4.22Å; E203-V207 WeakPolarHBondContact O-CB 3.38Å; E203-V207 WeakPolarHBondContact O-CG2 3.33Å; E203-V207 PolarHBondContact O-N 3.02Å
204	L	90.4	Very high	82.2	Confident	20 Å²	20	57 Å²	57	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-40.3	178.9	-178.6	58.2	0	0	0	112.3	L87 L90 F189 W192 D202 I208	L87-L204 HydrophobicContact CD1-CD1 3.48Å; L87-L204 VanDerWaalsContact CD1-CD1 3.48Å; L87-L204 HydrophobicContact CD2-CD1 4.31Å; L87-L204 HydrophobicContact CG-CD1 3.72Å; L90-L204 HydrophobicContact CD1-CD1 4.02Å; L90-L204 HydrophobicContact CD1-CD2 4.03Å; F189-L204 HydrophobicContact CD2-CD2 4.18Å; F189-L204 HydrophobicContact CE2-CD2 3.89Å; W192-L204 HydrophobicContact CB-CD2 4.06Å; W192-L204 HydrophobicContact CD2-CD2 3.76Å; W192-L204 HydrophobicContact CD2-CG 4.32Å; W192-L204 HydrophobicContact CE3-CD2 4.33Å; W192-L204 HydrophobicContact CG-CD2 3.63Å; W192-L204 HydrophobicContact CZ2-CG 4.45Å; D202-L204 PolarHBondContact O-N 3.37Å; D202-L204 PolarHBondContact OD1-N 2.88Å; L204-I208 HydrophobicContact CD1-CD1 3.95Å; L204-I208 HydrophobicContact CD1-CG1 4.23Å; L204-I208 HydrophobicContact CG-CD1 4.05Å; L204-I208 VanDerWaalsContact O-CG1 3.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 3.05Å
205	G	92.1	Very high	82.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-43.2	174	0	0	0	0	0	112.7	D202 E203 K209	D202-G205 PolarHBondContact O-N 3.09Å; D202-G205 PolarHBondContact OD1-N 3.17Å; E203-G205 PolarHBondContact O-N 2.92Å; G205-K209 VanDerWaalsContact O-CB 3.3Å; G205-K209 WeakPolarHBondContact O-CB 3.46Å; G205-K209 PolarHBondContact O-N 3.05Å
206	E	91.7	Very high	83.9	Confident	105 Å²	105	54.7 Å²	54.7	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-46.3	177	-69.3	178.8	-179.1	0	0	111.4	D202 E203 I208 K209 D210	D202-E206 PolarHBondContact O-N 3.45Å; E203-E206 PolarHBondContact O-N 3.18Å; E206-I208 PolarHBondContact O-N 3.24Å; E206-K209 PolarHBondContact O-N 3.37Å; E206-K209 VanDerWaalsContact O-N 3.13Å; E206-D210 WeakPolarHBondContact O-CB 3.2Å; E206-D210 PolarHBondContact O-N 3.44Å
207	V	94.1	Very high	85.3	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-46.3	177.4	169.5	0	0	0	0	111.6	H84 L87 E203 K209 D211 I212	H84-V207 WeakPolarHBondContact CE1-CG1 3.49Å; H84-V207 WeakPolarHBondContact NE2-CG1 3.14Å; L87-V207 HydrophobicContact CD1-CG1 3.61Å; E203-V207 HydrophobicContact CG-CG2 4.22Å; E203-V207 WeakPolarHBondContact O-CB 3.38Å; E203-V207 WeakPolarHBondContact O-CG2 3.33Å; E203-V207 PolarHBondContact O-N 3.02Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 PolarHBondContact O-N 3.47Å; V207-D211 WeakPolarHBondContact O-CB 3.35Å; V207-D211 PolarHBondContact O-N 3.04Å; V207-D211 VanDerWaalsContact O-N 3.08Å; V207-I212 HydrophobicContact CG1-CD1 4.11Å; V207-I212 HydrophobicContact CG1-CG1 4.36Å; V207-I212 PolarHBondContact O-N 3.27Å
208	I	95.4	Very high	87	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.267	C	S	.	.	I	π-helix	trans	-64	-40.7	177.8	-66.8	168.7	0	0	0	110.5	L87 V105 V107 I119 F121 W192 L204 E206 I212 W213	L87-I208 HydrophobicContact CD2-CG1 4.41Å; V105-I208 HydrophobicContact CG1-CG2 4.49Å; V107-I208 HydrophobicContact CG2-CG2 4.3Å; I119-I208 HydrophobicContact CD1-CB 3.93Å; I119-I208 HydrophobicContact CD1-CG2 3.8Å; I119-I208 HydrophobicContact CG2-CG2 3.89Å; F121-I208 HydrophobicContact CZ-CD1 4.01Å; W192-I208 HydrophobicContact CH2-CD1 4.11Å; W192-I208 HydrophobicContact CZ3-CD1 4.38Å; L204-I208 HydrophobicContact CD1-CD1 3.95Å; L204-I208 HydrophobicContact CD1-CG1 4.23Å; L204-I208 HydrophobicContact CG-CD1 4.05Å; L204-I208 VanDerWaalsContact O-CG1 3.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 3.05Å; E206-I208 PolarHBondContact O-N 3.24Å; I208-I212 HydrophobicContact CG1-CD1 4.31Å; I208-W213 WeakPolarHBondContact O-CA 3.4Å; I208-W213 WeakPolarHBondContact O-CB 3.32Å; I208-W213 PolarHBondContact O-N 3.27Å
209	K	94.2	Very high	88.9	Confident	43 Å²	43	50.2 Å²	50.2	19%	0.187	26%	0.264	C	S	.	.	I	π-helix	trans	-74.4	-46.2	-177	171.1	179.5	164.9	-68.7	0	113.7	V107 F117 G205 E206 V207 P214	V107-K209 HydrophobicContact CG1-CB 4.22Å; V107-K209 HydrophobicContact CG1-CG 4.05Å; F117-K209 HydrophobicContact CB-CD 4.44Å; F117-K209 HydrophobicContact CD1-CD 3.48Å; F117-K209 VanDerWaalsContact CD1-CD 3.48Å; F117-K209 HydrophobicContact CD2-CB 4.39Å; F117-K209 HydrophobicContact CD2-CD 3.71Å; F117-K209 HydrophobicContact CD2-CG 4.4Å; F117-K209 HydrophobicContact CE1-CD 3.44Å; F117-K209 VanDerWaalsContact CE1-CD 3.44Å; F117-K209 HydrophobicContact CE2-CB 3.9Å; F117-K209 HydrophobicContact CE2-CD 3.66Å; F117-K209 HydrophobicContact CE2-CG 4.29Å; F117-K209 HydrophobicContact CG-CD 3.62Å; F117-K209 HydrophobicContact CZ-CB 4.18Å; F117-K209 HydrophobicContact CZ-CD 3.53Å; F117-K209 HydrophobicContact CZ-CG 4.47Å; G205-K209 VanDerWaalsContact O-CB 3.3Å; G205-K209 WeakPolarHBondContact O-CB 3.46Å; G205-K209 PolarHBondContact O-N 3.05Å; E206-K209 PolarHBondContact O-N 3.37Å; E206-K209 VanDerWaalsContact O-N 3.13Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 PolarHBondContact O-N 3.47Å; K209-P214 VanDerWaalsContact O-CD 3.26Å; K209-P214 WeakPolarHBondContact O-CD 3.17Å
210	D	94.3	Very high	90.7	Very high	99 Å²	99	51.5 Å²	51.5	53%	0.529	27%	0.265	S	S	.	.	I	π-helix	trans	-103.9	-17.3	-164.5	-71	-40.4	0	0	0	113.3	E206 P214	E206-D210 WeakPolarHBondContact O-CB 3.2Å; E206-D210 PolarHBondContact O-N 3.44Å; D210-P214 WeakPolarHBondContact O-CG 3.49Å
211	D	96.1	Very high	92.5	Very high	54 Å²	54	48.5 Å²	48.5	29%	0.289	26%	0.256	S	S	.	.	I	π-helix	trans	-114.6	-64.8	177	-175.5	6.5	0	0	0	112.5	H84 V207 W213 P214 Q218 Y219	H84-D211 IonicContact CD2-OD2 3.14Å; H84-D211 IonicContact NE2-OD2 2.75Å; H84-D211 PolarHBondContact NE2-OD2 2.8Å; H84-D211 VanDerWaalsContact NE2-OD2 3.14Å; V207-D211 WeakPolarHBondContact O-CB 3.35Å; V207-D211 PolarHBondContact O-N 3.04Å; V207-D211 VanDerWaalsContact O-N 3.08Å; D211-W213 PolarHBondContact O-N 2.93Å; D211-P214 WeakPolarHBondContact O-CD 3.35Å; D211-Q218 PolarHBondContact OD1-NE2 3.49Å; D211-Y219 WeakPolarHBondContact OD1-CE2 3.48Å; D211-Y219 PolarHBondContact OD1-OH 2.97Å; D211-Y219 PolarHBondContact OD2-OH 3.18Å
212	I	96.8	Very high	93.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-66.1	-47	-174.5	-62.3	172.8	0	0	0	111.1	W77 T80 F81 H84 L87 V207 I208 N215 P216 Y219	W77-I212 HydrophobicContact CZ3-CG2 4.13Å; T80-I212 HydrophobicContact CG2-CG2 3.71Å; F81-I212 HydrophobicContact CD1-CD1 4.19Å; F81-I212 HydrophobicContact CE1-CD1 4.23Å; F81-I212 HydrophobicContact CE1-CG2 4.23Å; H84-I212 HydrophobicContact CB-CD1 4.32Å; H84-I212 WeakPolarHBondContact CD2-CG1 3.5Å; L87-I212 HydrophobicContact CD1-CD1 3.8Å; L87-I212 HydrophobicContact CD2-CD1 3.48Å; L87-I212 VanDerWaalsContact CD2-CD1 3.48Å; L87-I212 HydrophobicContact CG-CD1 4.25Å; V207-I212 HydrophobicContact CG1-CD1 4.11Å; V207-I212 HydrophobicContact CG1-CG1 4.36Å; V207-I212 PolarHBondContact O-N 3.27Å; I208-I212 HydrophobicContact CG1-CD1 4.31Å; I212-N215 CarbonylContact O-C 3.55Å; I212-N215 PolarHBondContact O-N 3.18Å; I212-P216 HydrophobicContact CG2-CB 4.16Å; I212-P216 WeakPolarHBondContact O-CA 3.47Å; I212-P216 WeakPolarHBondContact O-CB 3.38Å; I212-P216 WeakPolarHBondContact O-CD 3.47Å; I212-Y219 HydrophobicContact CG1-CD2 4.21Å; I212-Y219 HydrophobicContact CG1-CE2 4.08Å
213	W	97.1	Very high	92.6	Very high	15 Å²	15	51.2 Å²	51.2	6%	0.057	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-40.8	-173.8	175.9	-114	0	0	0	113.9	F63 R66 W77 V105 E106 V107 I208 D211 N215	F63-W213 HydrophobicContact CB-CZ2 4.12Å; F63-W213 HydrophobicContact CD1-CZ2 4.04Å; F63-W213 HydrophobicContact CD2-CZ2 4.47Å; F63-W213 AromaticContact CG-CZ2 4Å; F63-W213 HydrophobicContact CG-CZ2 4Å; F63-W213 AromaticContact CZ-NE1 3.86Å; R66-W213 PolarHBondContact NH1-O 3.16Å; R66-W213 VanDerWaalsContact NH2-CD2 3.26Å; R66-W213 VanDerWaalsContact NH2-CE2 3.35Å; R66-W213 VanDerWaalsContact NH2-CZ3 3.3Å; R66-W213 PolarHBondContact NH2-O 2.83Å; W77-W213 AromaticContact CH2-CE3 3.91Å; W77-W213 HydrophobicContact CH2-CE3 3.91Å; W77-W213 AromaticContact CH2-CZ3 3.9Å; W77-W213 HydrophobicContact CH2-CZ3 3.9Å; W77-W213 HydrophobicContact CZ2-CZ3 4.12Å; V105-W213 WeakPolarHBondContact O-CZ3 3.44Å; E106-W213 HydrophobicContact CB-CH2 4.36Å; E106-W213 HydrophobicContact CG-CH2 4.3Å; E106-W213 HydrophobicContact CG-CZ2 4.43Å; V107-W213 HydrophobicContact CB-CB 4.3Å; V107-W213 HydrophobicContact CB-CD2 3.98Å; V107-W213 HydrophobicContact CB-CG 3.69Å; V107-W213 HydrophobicContact CG2-CB 3.6Å; V107-W213 HydrophobicContact CG2-CD2 3.8Å; V107-W213 HydrophobicContact CG2-CE3 4.35Å; V107-W213 HydrophobicContact CG2-CG 3.45Å; V107-W213 VanDerWaalsContact CG2-CG 3.45Å; I208-W213 WeakPolarHBondContact O-CA 3.4Å; I208-W213 WeakPolarHBondContact O-CB 3.32Å; I208-W213 PolarHBondContact O-N 3.27Å; D211-W213 PolarHBondContact O-N 2.93Å; W213-N215 VanDerWaalsContact C-N 3.3Å; W213-N215 PolarHBondContact O-N 2.97Å
214	P	95.7	Very high	91.2	Very high	67 Å²	67	50.3 Å²	50.3	44%	0.435	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-40.3	175.7	-32.1	39.7	0	0	0	113.1	R66 K209 D210 D211	R66-P214 PolarHBondContact NH1-O 3.29Å; K209-P214 VanDerWaalsContact O-CD 3.26Å; K209-P214 WeakPolarHBondContact O-CD 3.17Å; D210-P214 WeakPolarHBondContact O-CG 3.49Å; D211-P214 WeakPolarHBondContact O-CD 3.35Å
215	N	96.1	Very high	89.5	Confident	72 Å²	72	53.2 Å²	53.2	39%	0.385	28%	0.28	S	S	.	.			trans	-146.4	70.3	-177.9	-171	21.7	0	0	0	114.1	I212 W213 L217 Q218	I212-N215 CarbonylContact O-C 3.55Å; I212-N215 PolarHBondContact O-N 3.18Å; W213-N215 VanDerWaalsContact C-N 3.3Å; W213-N215 PolarHBondContact O-N 2.97Å; N215-L217 PolarHBondContact O-N 3.14Å; N215-Q218 PolarHBondContact ND2-OE1 3.24Å; N215-Q218 WeakPolarHBondContact O-CG 3.35Å; N215-Q218 PolarHBondContact O-N 3.14Å; N215-Q218 VanDerWaalsContact O-N 3.17Å
216	P	97	Very high	87.5	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-16.1	-176.1	30.3	-36.6	0	0	0	112.4	R66 I70 F76 W77 T80 I212 Q218 Y219 Y220	R66-P216 VanDerWaalsContact NH1-CD 3.34Å; I70-P216 HydrophobicContact CD1-CG 4.17Å; F76-P216 HydrophobicContact CE1-CB 3.95Å; F76-P216 HydrophobicContact CE1-CG 4.12Å; F76-P216 HydrophobicContact CZ-CB 4.29Å; F76-P216 HydrophobicContact CZ-CG 4.31Å; W77-P216 HydrophobicContact CH2-CB 3.86Å; W77-P216 HydrophobicContact CH2-CG 3.85Å; W77-P216 HydrophobicContact CZ3-CB 3.64Å; W77-P216 HydrophobicContact CZ3-CG 4.18Å; T80-P216 HydrophobicContact CG2-CB 3.92Å; I212-P216 HydrophobicContact CG2-CB 4.16Å; I212-P216 WeakPolarHBondContact O-CA 3.47Å; I212-P216 WeakPolarHBondContact O-CB 3.38Å; I212-P216 WeakPolarHBondContact O-CD 3.47Å; P216-Q218 PolarHBondContact O-N 3.21Å; P216-Y219 PolarHBondContact O-N 3.17Å; P216-Y220 PolarHBondContact O-N 3.1Å; P216-Y220 VanDerWaalsContact O-N 3.12Å
217	L	96.3	Very high	85.4	Confident	82 Å²	82	60.4 Å²	60.4	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-27.6	178.3	-171.1	64.6	0	0	0	111.9	F76 N215 Y220 L221	F76-L217 HydrophobicContact CE2-CD1 4.1Å; F76-L217 HydrophobicContact CZ-CD1 4.48Å; N215-L217 PolarHBondContact O-N 3.14Å; L217-Y220 HydrophobicContact CD1-CD1 4.09Å; L217-Y220 PolarHBondContact O-N 3.34Å; L217-L221 HydrophobicContact CD1-CD1 3.89Å; L217-L221 HydrophobicContact CD1-CD2 4.27Å; L217-L221 HydrophobicContact CD1-CG 3.77Å; L217-L221 HydrophobicContact CD2-CD1 4.09Å; L217-L221 HydrophobicContact CG-CD1 3.66Å; L217-L221 HydrophobicContact CG-CG 3.95Å; L217-L221 WeakPolarHBondContact O-CB 3.36Å; L217-L221 WeakPolarHBondContact O-CG 3.33Å; L217-L221 PolarHBondContact O-N 3.18Å
218	Q	95.6	Very high	83	Confident	62 Å²	62	67.4 Å²	67.4	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-43.9	178.7	76.6	-159.5	-0.5	0	0	111.7	D211 N215 P216 S222	D211-Q218 PolarHBondContact OD1-NE2 3.49Å; N215-Q218 PolarHBondContact ND2-OE1 3.24Å; N215-Q218 WeakPolarHBondContact O-CG 3.35Å; N215-Q218 PolarHBondContact O-N 3.14Å; N215-Q218 VanDerWaalsContact O-N 3.17Å; P216-Q218 PolarHBondContact O-N 3.21Å; Q218-S222 WeakPolarHBondContact O-CB 3.42Å; Q218-S222 PolarHBondContact O-N 2.97Å; Q218-S222 PolarHBondContact O-OG 3.35Å
219	Y	96.1	Very high	80.6	Confident	24 Å²	24	74.2 Å²	74.2	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-78.2	-35.7	178	-58.4	-64.3	0	0	0	111.7	N83 H84 D211 I212 P216 L221 S222 L225	N83-Y219 WeakPolarHBondContact CB-O 3.46Å; N83-Y219 PolarHBondContact ND2-O 2.82Å; H84-Y219 HydrophobicContact CB-CD1 4.29Å; H84-Y219 HydrophobicContact CB-CG 4.34Å; H84-Y219 AromaticContact CD2-CD2 3.9Å; H84-Y219 AromaticContact CD2-CE1 3.77Å; H84-Y219 AromaticContact CD2-CE2 3.45Å; H84-Y219 VanDerWaalsContact CD2-CE2 3.45Å; H84-Y219 WeakPolarHBondContact CD2-CE2 3.46Å; H84-Y219 AromaticContact CD2-CZ 3.4Å; H84-Y219 AromaticContact NE2-CZ 3.93Å; D211-Y219 WeakPolarHBondContact OD1-CE2 3.48Å; D211-Y219 PolarHBondContact OD1-OH 2.97Å; D211-Y219 PolarHBondContact OD2-OH 3.18Å; I212-Y219 HydrophobicContact CG1-CD2 4.21Å; I212-Y219 HydrophobicContact CG1-CE2 4.08Å; P216-Y219 PolarHBondContact O-N 3.17Å; Y219-L221 VanDerWaalsContact C-N 3.31Å; Y219-L221 PolarHBondContact O-N 3.31Å; Y219-S222 PolarHBondContact O-N 3.1Å; Y219-L225 HydrophobicContact CD1-CD1 4.5Å
220	Y	95.7	Very high	78.3	Confident	66 Å²	66	80.2 Å²	80.2	26%	0.259	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-37.8	175.8	179	-95.9	0	0	0	113.2	I73 F76 T79 P216 L217	I73-Y220 HydrophobicContact CG2-CE2 4.24Å; I73-Y220 WeakPolarHBondContact CG2-OH 3.39Å; F76-Y220 HydrophobicContact CB-CD2 4.3Å; F76-Y220 HydrophobicContact CB-CE2 4.25Å; F76-Y220 AromaticContact CD2-CD1 3.92Å; F76-Y220 HydrophobicContact CD2-CD1 3.92Å; F76-Y220 AromaticContact CD2-CD2 3.37Å; F76-Y220 HydrophobicContact CD2-CD2 3.37Å; F76-Y220 HydrophobicContact CD2-CE1 4.18Å; F76-Y220 AromaticContact CD2-CE2 3.67Å; F76-Y220 HydrophobicContact CD2-CE2 3.67Å; F76-Y220 AromaticContact CD2-CG 3.51Å; F76-Y220 HydrophobicContact CD2-CG 3.51Å; F76-Y220 AromaticContact CE2-CD1 3.68Å; F76-Y220 HydrophobicContact CE2-CD1 3.68Å; F76-Y220 AromaticContact CE2-CD2 3.75Å; F76-Y220 HydrophobicContact CE2-CD2 3.75Å; F76-Y220 HydrophobicContact CE2-CE1 4.31Å; F76-Y220 HydrophobicContact CE2-CE2 4.37Å; F76-Y220 AromaticContact CE2-CG 3.36Å; F76-Y220 HydrophobicContact CE2-CG 3.36Å; F76-Y220 AromaticContact CG-CD2 3.9Å; F76-Y220 HydrophobicContact CG-CD2 3.9Å; F76-Y220 HydrophobicContact CG-CE2 4.24Å; F76-Y220 HydrophobicContact CG-CG 4.37Å; F76-Y220 HydrophobicContact CZ-CG 4.11Å; T79-Y220 HydrophobicContact CG2-CD2 3.94Å; T79-Y220 HydrophobicContact CG2-CE2 4.22Å; P216-Y220 PolarHBondContact O-N 3.1Å; P216-Y220 VanDerWaalsContact O-N 3.12Å; L217-Y220 HydrophobicContact CD1-CD1 4.09Å; L217-Y220 PolarHBondContact O-N 3.34Å
221	L	93.9	Very high	75.9	Confident	111 Å²	111	81.5 Å²	81.5	58%	0.581	42%	0.421	S	S	*	.	H	α-helix	trans	-87.1	-16.8	-177.1	-68.4	-179.3	0	0	0	114.2	L217 Y219 P223	L217-L221 HydrophobicContact CD1-CD1 3.89Å; L217-L221 HydrophobicContact CD1-CD2 4.27Å; L217-L221 HydrophobicContact CD1-CG 3.77Å; L217-L221 HydrophobicContact CD2-CD1 4.09Å; L217-L221 HydrophobicContact CG-CD1 3.66Å; L217-L221 HydrophobicContact CG-CG 3.95Å; L217-L221 WeakPolarHBondContact O-CB 3.36Å; L217-L221 WeakPolarHBondContact O-CG 3.33Å; L217-L221 PolarHBondContact O-N 3.18Å; Y219-L221 VanDerWaalsContact C-N 3.31Å; Y219-L221 PolarHBondContact O-N 3.31Å; L221-P223 VanDerWaalsContact C-CD 3.5Å; L221-P223 WeakPolarHBondContact O-CD 3.35Å
222	S	81.2	Confident	73.6	Confident	39 Å²	39	86.3 Å²	86.3	27%	0.273	45%	0.447	S	S	.	.			trans	-113.6	86.7	-176.1	-51.7	0	0	0	0	110.6	Q218 Y219 D224	Q218-S222 WeakPolarHBondContact O-CB 3.42Å; Q218-S222 PolarHBondContact O-N 2.97Å; Q218-S222 PolarHBondContact O-OG 3.35Å; Y219-S222 PolarHBondContact O-N 3.1Å; S222-D224 PolarHBondContact O-N 3.41Å
223	P	67.9	Low	71.2	Confident	83 Å²	83	95 Å²	95	54%	0.539	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.7	173.9	24.4	-29.8	0	0	0	114.1	N83 L221	N83-P223 WeakPolarHBondContact ND2-CA 3.2Å; L221-P223 VanDerWaalsContact C-CD 3.5Å; L221-P223 WeakPolarHBondContact O-CD 3.35Å
224	D	58.4	Low	69	Low	95 Å²	95	102.3 Å²	102.3	51%	0.508	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	26.7	-163	-49.9	-44	0	0	0	114.8	S222 D226 E227	S222-D224 PolarHBondContact O-N 3.41Å; D224-D226 PolarHBondContact O-N 2.77Å; D224-E227 PolarHBondContact O-N 2.8Å; D224-E227 VanDerWaalsContact O-N 3.09Å
225	L	53.3	Low	66.9	Low	81 Å²	81	105.9 Å²	105.9	42%	0.424	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.2	-178	-75.3	172.6	0	0	0	114.8	Y219	Y219-L225 HydrophobicContact CD1-CD1 4.5Å
226	D	51.6	Low	64.8	Low	110 Å²	110	111.7 Å²	111.7	59%	0.588	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-8.1	178.6	-61.2	-33.8	0	0	0	113.3	D224	D224-D226 PolarHBondContact O-N 2.77Å
227	E	46.4	Very low	62.9	Low	147 Å²	147	118.6 Å²	118.6	69%	0.687	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-17	-179.9	-68.4	-166.1	175.7	0	0	114.4	D224	D224-E227 PolarHBondContact O-N 2.8Å; D224-E227 VanDerWaalsContact O-N 3.09Å
228	E	44.3	Very low	60.7	Low	164 Å²	164	121.8 Å²	121.8	77%	0.766	62%	0.617	S	S	*	*	S	Bend	trans	-101.6	-3.2	-173.3	-67.3	-170.8	172.1	0	0	115.1
229	N	43.9	Very low	59	Low	143 Å²	143	126.5 Å²	126.5	77%	0.765	64%	0.644	S	S	*	*	S	Bend	trans	-106.3	2	179.4	-78.1	-37.5	0	0	0	115.2
230	E	46.1	Very low	56.9	Low	170 Å²	170	131.4 Å²	131.4	79%	0.794	67%	0.672	S	S	*	*	S	Bend	trans	-104.4	10.2	175.3	-69.4	-168.7	164.5	0	0	113.6
231	N	43.5	Very low	55.2	Low	126 Å²	126	135.6 Å²	135.6	67%	0.674	70%	0.699	S	S	*	*			trans	-122.3	16.8	-176.3	-77.9	-41.6	0	0	0	115.7	E233	N231-E233 VanDerWaalsContact C-N 3.34Å
232	D	48	Very low	53.2	Low	154 Å²	154	137.3 Å²	137.3	82%	0.824	70%	0.704	S	S	*	*			trans	-96.6	27.6	170.7	-87.6	-1.5	0	0	0	112.6	E234	D232-E234 VanDerWaalsContact C-N 3.28Å; D232-E234 PolarHBondContact O-N 3Å
233	E	47.5	Very low	51.9	Low	183 Å²	183	142 Å²	142	86%	0.855	73%	0.725	S	S	*	*			trans	-91.9	60	157.9	-67.9	-169.8	-177.1	0	0	109.1	N231 D235	N231-E233 VanDerWaalsContact C-N 3.34Å; E233-D235 VanDerWaalsContact C-N 3.34Å; E233-D235 PolarHBondContact O-N 3.22Å; E233-D235 VanDerWaalsContact O-N 3.14Å
234	E	51.6	Low	51.3	Low	168 Å²	168	146.3 Å²	146.3	79%	0.785	74%	0.743	S	S	*	*			trans	-78.7	89	164.2	-74.6	-166.1	172.6	0	0	108.8	D232 E236	D232-E234 VanDerWaalsContact C-N 3.28Å; D232-E234 PolarHBondContact O-N 3Å; E234-E236 PolarHBondContact O-N 2.96Å
235	D	50.1	Low	51.5	Low	142 Å²	142	148.9 Å²	148.9	76%	0.759	76%	0.757	S	S	*	*			trans	30.6	77.4	139	-62	-36.9	0	0	0	116.5	E233 D237	E233-D235 VanDerWaalsContact C-N 3.34Å; E233-D235 PolarHBondContact O-N 3.22Å; E233-D235 VanDerWaalsContact O-N 3.14Å; D235-D237 VanDerWaalsContact C-N 3.28Å; D235-D237 PolarHBondContact O-N 3.38Å
236	E	53.3	Low	51.3	Low	194 Å²	194	153.9 Å²	153.9	91%	0.907	78%	0.778	S	S	*	*			trans	-81.8	84.2	152.9	-76.2	-169.9	172.6	0	0	108	E234 D238	E234-E236 PolarHBondContact O-N 2.96Å; E236-D238 PolarHBondContact O-N 3.17Å; E236-D238 VanDerWaalsContact O-N 3.17Å
237	D	55.5	Low	51.7	Low	146 Å²	146	156.2 Å²	156.2	78%	0.781	79%	0.791	S	S	*	*			trans	-55.8	115	169.6	-88.7	-38.3	0	0	0	110.1	D235 D239	D235-D237 VanDerWaalsContact C-N 3.28Å; D235-D237 PolarHBondContact O-N 3.38Å; D237-D239 PolarHBondContact O-N 2.86Å; D237-D239 VanDerWaalsContact O-N 3.1Å
238	D	50	Low	52.2	Low	150 Å²	150	157.3 Å²	157.3	80%	0.802	80%	0.796	S	S	*	*			trans	-72.7	82.4	178.8	-153.4	11.8	0	0	0	109.4	E236 D240	E236-D238 PolarHBondContact O-N 3.17Å; E236-D238 VanDerWaalsContact O-N 3.17Å; D238-D240 PolarHBondContact O-N 3.13Å
239	D	60	Low	52.7	Low	161 Å²	161	155.5 Å²	155.5	86%	0.861	80%	0.796	S	S	*	*			trans	-92.4	79.4	168.1	-102.7	-19.2	0	0	0	109.8	D237 D241	D237-D239 PolarHBondContact O-N 2.86Å; D237-D239 VanDerWaalsContact O-N 3.1Å; D239-D241 PolarHBondContact O-N 3.39Å
240	D	51.9	Low	53.1	Low	126 Å²	126	152 Å²	152	67%	0.674	79%	0.794	S	S	*	*			trans	-74.9	96.1	167.6	-157.6	19	0	0	0	108.3	D238	D238-D240 PolarHBondContact O-N 3.13Å
241	D	60.7	Low	53.5	Low	154 Å²	154	150.7 Å²	150.7	82%	0.824	80%	0.797	S	S	*	*			trans	-130.9	123.1	168.4	-119	-14.5	0	0	0	112.5	D239	D239-D241 PolarHBondContact O-N 3.39Å
242	Q	51.7	Low	54	Low	148 Å²	148	149 Å²	149	69%	0.692	80%	0.8	S	S	*	*			trans	-75.7	155.7	-166.8	-65.7	159.6	29.4	0	0	112
243	D	53.9	Low	54.2	Low	136 Å²	136	149 Å²	149	73%	0.727	80%	0.8	S	S	*	*			trans	133.5	87.9	144.6	-69	-20.2	0	0	0	112
244	L	55.1	Low	54.5	Low	174 Å²	174	150.3 Å²	150.3	91%	0.911	82%	0.821	S	S	*	*			trans	-117.4	91.4	156	-71.6	176.8	0	0	0	108.1	E246	L244-E246 PolarHBondContact O-N 3.25Å
245	D	63.2	Low	54.6	Low	150 Å²	150	149.5 Å²	149.5	80%	0.802	82%	0.823	S	S	*	*			trans	-55.9	121.2	167.2	-74.4	-46.6	0	0	0	110.2
246	E	49.5	Very low	54.9	Low	186 Å²	186	149.8 Å²	149.8	87%	0.869	83%	0.826	S	S	*	*			trans	-70.2	121.1	164.4	-73	-179.4	143.9	0	0	109.4	L244	L244-E246 PolarHBondContact O-N 3.25Å
247	D	60.8	Low	55	Low	159 Å²	159	147.4 Å²	147.4	85%	0.85	82%	0.821	S	S	*	*			trans	-137.3	89.9	156.4	-96	-31.1	0	0	0	110.5
248	E	56.7	Low	54.9	Low	170 Å²	170	147.5 Å²	147.5	79%	0.794	82%	0.824	S	S	*	*			trans	12.3	141.8	135.2	-137.6	-168.4	162.9	0	0	120.9
249	T	53.1	Low	55.2	Low	125 Å²	125	147.3 Å²	147.3	77%	0.767	83%	0.825	S	S	*	*			trans	92.7	123.6	150.4	74.3	0	0	0	0	118.8
250	G	52.6	Low	54.9	Low	70 Å²	70	146.4 Å²	146.4	72%	0.722	82%	0.823	S	S	*	*			trans	169.1	32.1	168.9	0	0	0	0	0	121.3
251	V	54.3	Low	55.1	Low	143 Å²	143	147.9 Å²	147.9	87%	0.867	83%	0.833	S	S	*	*			trans	26.8	127.3	146.8	-115.3	0	0	0	0	121.7
252	A	54.5	Low	54.7	Low	89 Å²	89	147.4 Å²	147.4	74%	0.736	83%	0.834	S	S	*	*			trans	85.2	105	131.6	0	0	0	0	0	121.8
253	D	53.3	Low	55	Low	154 Å²	154	147.3 Å²	147.3	82%	0.824	85%	0.846	S	S	*	*				62.4	104.7	112.9	-140.4	11.6	0	0	0	119.7
254	V	52.6	Low	55.1	Low	212 Å²	212	148.4 Å²	148.4	100%	1.285	86%	0.857	S	S	*	*			trans	-148.6	0	135.1	177.3	0	0	0	0	108.4

Retrieved 254 of 254 residues in 80 ms (Link to these results)

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