A0A3Q0KC02_SCHMA Loading...

STING ER exit protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KC02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.2	Very low	59.2	Low	237 Å²	237	164.6 Å²	164.6	100%	1.167	80%	0.798	S	S	*	*				0	104.7	0	-55.2	-154.3	99.7	0	0	107.5	K3	M1-K3 PolarHBondContact O-N 3.34Å
2	S	49.4	Very low	58.8	Low	118 Å²	118	167.8 Å²	167.8	83%	0.825	80%	0.796	S	S	*	*			trans	-69	118.9	177.9	-76.7	0	0	0	0	108.9	D4	S2-D4 PolarHBondContact O-N 2.92Å
3	K	58.6	Low	59	Low	205 Å²	205	161.8 Å²	161.8	89%	0.891	79%	0.792	S	S	*	*			trans	-77.6	110.3	171	-81.1	178.3	176.9	174.1	0	107.8	M1 H5	M1-K3 PolarHBondContact O-N 3.34Å; K3-H5 PolarHBondContact O-N 3.41Å
4	D	60.6	Low	58.8	Low	157 Å²	157	158.7 Å²	158.7	84%	0.84	79%	0.787	S	S	*	*			trans	-56.2	120.2	172.1	-65.3	-53	0	0	0	110.2	S2 K6	S2-D4 PolarHBondContact O-N 2.92Å; D4-K6 PolarHBondContact O-N 2.88Å; D4-K6 VanDerWaalsContact O-N 3.08Å
5	H	62.7	Low	58.5	Low	168 Å²	168	158.3 Å²	158.3	78%	0.778	78%	0.782	S	S	*	*			trans	-74.9	98.4	178.2	-167.8	76	0	0	0	109	K3	K3-H5 PolarHBondContact O-N 3.41Å
6	K	72.1	Confident	58.4	Low	183 Å²	183	157 Å²	157	80%	0.796	78%	0.777	S	S	*	*			trans	-62.2	130.7	176.9	-164.2	173.8	-175.3	-174.8	0	109.8	D4 R8	D4-K6 PolarHBondContact O-N 2.88Å; D4-K6 VanDerWaalsContact O-N 3.08Å; K6-R8 PolarHBondContact O-N 3.4Å
7	P	64.2	Low	58.6	Low	103 Å²	103	154 Å²	154	67%	0.669	77%	0.769	S	S	*	*			trans	-63.8	134.5	-176.9	23.3	-32	0	0	0	111.4	V9	P7-V9 PolarHBondContact O-N 2.94Å; P7-V9 VanDerWaalsContact O-N 3.12Å
8	R	59.4	Low	58.3	Low	140 Å²	140	151.5 Å²	151.5	53%	0.528	76%	0.763	S	S	.	*			trans	-65.8	106.6	176.9	-60	-179.5	94.8	-150	-0.5	109.1	K6 R10 E190	K6-R8 PolarHBondContact O-N 3.4Å; R8-R10 PolarHBondContact O-N 3.36Å; R8-E190 IonicContact CZ-OE1 2.86Å; R8-E190 IonicContact NH1-OE1 3.84Å; R8-E190 PolarHBondContact NH1-OE1 3.14Å; R8-E190 IonicContact NH2-OE1 3.75Å; R8-E190 PolarHBondContact NH2-OE1 3.16Å
9	V	61.8	Low	58	Low	128 Å²	128	150.3 Å²	150.3	78%	0.776	76%	0.759	S	S	*	*			trans	-84.2	107	174.9	-179.2	0	0	0	0	108.9	P7	P7-V9 PolarHBondContact O-N 2.94Å; P7-V9 VanDerWaalsContact O-N 3.12Å
10	R	54.2	Low	57.8	Low	184 Å²	184	147.3 Å²	147.3	69%	0.694	75%	0.752	S	S	*	*			trans	-81.4	116	172.6	-72.2	179.8	166.7	171	-5.8	109.5	R8	R8-R10 PolarHBondContact O-N 3.36Å
11	K	60.1	Low	57.3	Low	188 Å²	188	150.5 Å²	150.5	82%	0.817	76%	0.755	S	S	*	*			trans	-89.9	111.9	168.7	-65.9	-177.1	-177.7	178.2	0	108.3
12	R	54.7	Low	57.3	Low	203 Å²	203	144.3 Å²	144.3	77%	0.766	73%	0.733	S	S	*	*			trans	-93.2	115.4	167.3	-81.4	-178.1	167.3	175.8	-4.7	108.1
13	A	61.1	Low	57.4	Low	90 Å²	90	150 Å²	150	74%	0.744	74%	0.736	S	S	*	*			trans	-107.1	109.2	169.6	0	0	0	0	0	108.5
14	T	55.7	Low	56.6	Low	118 Å²	118	151.1 Å²	151.1	72%	0.724	74%	0.737	S	S	*	*			trans	-87.9	104.5	170.9	38.7	0	0	0	0	108.7
15	H	54.8	Low	55.9	Low	153 Å²	153	150.1 Å²	150.1	71%	0.708	73%	0.731	S	S	*	*			trans	-86.8	109.8	172	-168.2	-94.8	0	0	0	109.1	V17	H15-V17 VanDerWaalsContact CE1-CG2 3.49Å; H15-V17 WeakPolarHBondContact CE1-CG2 3.34Å; H15-V17 WeakPolarHBondContact ND1-CG2 3.36Å; H15-V17 PolarHBondContact O-N 2.89Å
16	I	57.3	Low	54.9	Low	137 Å²	137	152.6 Å²	152.6	70%	0.703	74%	0.735	S	S	*	*			trans	-84.5	98	175.2	-57	170.2	0	0	0	106.9	T18	I16-T18 HydrophobicContact CG2-CG2 3.98Å; I16-T18 PolarHBondContact O-N 2.88Å
17	V	61.7	Low	53.6	Low	106 Å²	106	146.8 Å²	146.8	64%	0.642	73%	0.728	S	S	*	*			trans	-84.8	93.8	168.6	-171.5	0	0	0	0	107.6	H15 D19	H15-V17 VanDerWaalsContact CE1-CG2 3.49Å; H15-V17 WeakPolarHBondContact CE1-CG2 3.34Å; H15-V17 WeakPolarHBondContact ND1-CG2 3.36Å; H15-V17 PolarHBondContact O-N 2.89Å; V17-D19 HydrophobicContact CG1-CB 4.22Å; V17-D19 PolarHBondContact O-N 2.93Å
18	T	52.6	Low	52.8	Low	109 Å²	109	147.9 Å²	147.9	67%	0.669	74%	0.737	S	S	*	*			trans	-76.7	78.7	163.2	51.7	0	0	0	0	108.6	I16 S20	I16-T18 HydrophobicContact CG2-CG2 3.98Å; I16-T18 PolarHBondContact O-N 2.88Å; T18-S20 PolarHBondContact O-N 3.35Å; T18-S20 VanDerWaalsContact O-N 3.11Å
19	D	52.5	Low	52.7	Low	129 Å²	129	149 Å²	149	69%	0.69	75%	0.749	S	S	*	*			trans	-84.4	63.1	161.3	-156.2	1.1	0	0	0	108.9	V17	V17-D19 HydrophobicContact CG1-CB 4.22Å; V17-D19 PolarHBondContact O-N 2.93Å
20	S	54	Low	52.8	Low	89 Å²	89	148.3 Å²	148.3	62%	0.622	74%	0.735	S	S	*	*			trans	-107.5	64.2	165.3	43.7	0	0	0	0	106.6	T18 P22	T18-S20 PolarHBondContact O-N 3.35Å; T18-S20 VanDerWaalsContact O-N 3.11Å; S20-P22 WeakPolarHBondContact O-CD 3.47Å
21	R	47.5	Very low	53.9	Low	216 Å²	216	143.7 Å²	143.7	82%	0.815	73%	0.729	S	S	*	*			trans	-63	106.3	159.3	-73.2	-176.8	178.7	179.4	1.7	106.2	R23	R21-R23 PolarHBondContact O-N 3.06Å
22	P	49	Very low	55.3	Low	107 Å²	107	139.7 Å²	139.7	70%	0.695	72%	0.716	S	S	*	*			trans	-57.1	134.4	170	27.3	-33.1	0	0	0	106.4	S20 Y24	S20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-Y24 PolarHBondContact O-N 3.5Å
23	R	51.1	Low	57	Low	237 Å²	237	132.4 Å²	132.4	89%	0.894	69%	0.69	S	S	*	*			trans	-47.9	115.8	168.4	-73.9	-171.9	-174.6	179	3.5	107.1	R21 N25	R21-R23 PolarHBondContact O-N 3.06Å; R23-N25 PolarHBondContact O-N 3.35Å
24	Y	41.7	Very low	58.5	Low	229 Å²	229	129.3 Å²	129.3	90%	0.898	66%	0.662	S	S	*	*	S	Bend	trans	-58	93.3	-176.5	-142	-93.3	0	0	0	108.7	P22	P22-Y24 PolarHBondContact O-N 3.5Å
25	N	46.6	Very low	60.4	Low	136 Å²	136	124.3 Å²	124.3	73%	0.727	63%	0.63	S	S	*	*			trans	-163.8	28	169.9	-90	-31.5	0	0	0	113.1	R23	R23-N25 PolarHBondContact O-N 3.35Å
26	Y	41.5	Very low	62.3	Low	219 Å²	219	117.7 Å²	117.7	86%	0.859	60%	0.601	S	S	*	*			trans	-121.8	74.2	172.5	-81.1	-82.9	0	0	0	110.7
27	G	43.9	Very low	64.1	Low	62 Å²	62	111.2 Å²	111.2	64%	0.639	57%	0.568	S	S	*	*	S	Bend	trans	-116.9	91.5	164.1	0	0	0	0	0	109.2
28	S	46.9	Very low	65.6	Low	125 Å²	125	110.6 Å²	110.6	87%	0.874	56%	0.56	S	S	*	*			trans	71.9	26.9	163.5	75.4	0	0	0	0	120.3	K30	S28-K30 PolarHBondContact O-N 3.49Å
29	E	58.1	Low	67.5	Low	164 Å²	164	108.5 Å²	108.5	77%	0.766	55%	0.549	S	S	*	.			trans	-70.4	98.6	174.2	-68.9	-165.8	173.4	0	0	111.5
30	K	64.7	Low	69.4	Low	114 Å²	114	104.2 Å²	104.2	50%	0.496	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-51	129.4	170.6	-172.4	-178.4	179.2	-160.3	0	109.3	S28 L32 D47	S28-K30 PolarHBondContact O-N 3.49Å; K30-L32 PolarHBondContact O-N 3.01Å; K30-D47 WeakPolarHBondContact CD-O 3.26Å; K30-D47 WeakPolarHBondContact CE-O 3.32Å; K30-D47 PolarHBondContact NZ-O 3.39Å; K30-D47 VanDerWaalsContact NZ-O 3.1Å; K30-D47 IonicContact NZ-OD2 2.71Å; K30-D47 PolarHBondContact NZ-OD2 3.39Å
31	P	77.1	Confident	71.2	Confident	86 Å²	86	103 Å²	103	56%	0.558	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-59.2	132.2	-175.4	24	-33.6	0	0	0	110.6	F33	P31-F33 HydrophobicContact CG-CZ 4.28Å; P31-F33 WeakPolarHBondContact O-CD2 3.5Å; P31-F33 WeakPolarHBondContact O-CE2 3.35Å
32	L	87.7	Confident	73.4	Confident	104 Å²	104	94 Å²	94	55%	0.545	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-79.5	130.4	173.2	-65.7	179.7	0	0	0	109.3	K30 I45 D47	K30-L32 PolarHBondContact O-N 3.01Å; L32-I45 HydrophobicContact CB-CG2 4.1Å; L32-I45 HydrophobicContact CD1-CG2 4.23Å; L32-D47 HydrophobicContact CD2-CB 4.32Å
33	F	90.9	Very high	75.5	Confident	50 Å²	50	89 Å²	89	22%	0.219	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.3	178.5	-60.8	-83.4	0	0	0	110	P31 Y35 I45 I46 L49 L128	P31-F33 HydrophobicContact CG-CZ 4.28Å; P31-F33 WeakPolarHBondContact O-CD2 3.5Å; P31-F33 WeakPolarHBondContact O-CE2 3.35Å; F33-Y35 HydrophobicContact CB-CD2 4.3Å; F33-Y35 HydrophobicContact CB-CE2 3.63Å; F33-I45 WeakPolarHBondContact O-CA 3.37Å; F33-I46 PolarHBondContact N-O 3.28Å; F33-I46 PolarHBondContact O-N 3.48Å; F33-L49 HydrophobicContact CD1-CD2 3.4Å; F33-L49 VanDerWaalsContact CD1-CD2 3.4Å; F33-L49 HydrophobicContact CD1-CG 4.12Å; F33-L49 HydrophobicContact CE1-CD2 3.44Å; F33-L49 VanDerWaalsContact CE1-CD2 3.44Å; F33-L49 HydrophobicContact CE1-CG 3.82Å; F33-L49 HydrophobicContact CE2-CG 4.27Å; F33-L49 HydrophobicContact CG-CD2 3.98Å; F33-L49 HydrophobicContact CG-CG 4.46Å; F33-L49 HydrophobicContact CZ-CD2 4.05Å; F33-L49 HydrophobicContact CZ-CG 3.9Å; F33-L128 HydrophobicContact CB-CD1 4Å; F33-L128 HydrophobicContact CD1-CD1 4.06Å
34	V	93.9	Very high	77.6	Confident	25 Å²	25	77.7 Å²	77.7	15%	0.152	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.2	177.4	-179.8	0	0	0	0	109.7	M42 I45 Q129	V34-M42 HydrophobicContact CB-CE 4.5Å; V34-M42 HydrophobicContact CG1-CE 3.38Å; V34-M42 HydrophobicContact CG1-CG 3.93Å; V34-M42 HydrophobicContact CG1-SD 4.14Å; V34-M42 HydrophobicContact CG2-CE 4.29Å; V34-I45 HydrophobicContact CG2-CG1 4.41Å; V34-Q129 HydrophobicContact CB-CB 4.35Å; V34-Q129 HydrophobicContact CG1-CB 4.25Å; V34-Q129 WeakPolarHBondContact O-CB 3.49Å; V34-Q129 PolarHBondContact O-N 3.44Å
35	Y	95	Very high	80.1	Confident	14 Å²	14	68.7 Å²	68.7	6%	0.055	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.1	178.8	-73.9	-87.6	0	0	0	110.8	F33 S43 L44 I46 L49 V50 L126 K127 L128	F33-Y35 HydrophobicContact CB-CD2 4.3Å; F33-Y35 HydrophobicContact CB-CE2 3.63Å; Y35-S43 PolarHBondContact O-N 3.43Å; Y35-L44 HydrophobicContact CD2-CD2 4.24Å; Y35-L44 PolarHBondContact N-O 3.22Å; Y35-L44 PolarHBondContact O-N 3.43Å; Y35-L44 VanDerWaalsContact O-N 3.08Å; Y35-I46 HydrophobicContact CD2-CG2 3.99Å; Y35-I46 HydrophobicContact CE2-CG2 3.82Å; Y35-L49 WeakPolarHBondContact OH-CA 3.4Å; Y35-V50 HydrophobicContact CD1-CG2 4.05Å; Y35-V50 HydrophobicContact CD2-CG2 3.81Å; Y35-V50 HydrophobicContact CE1-CB 3.98Å; Y35-V50 HydrophobicContact CE1-CG2 3.71Å; Y35-V50 HydrophobicContact CE2-CB 4.24Å; Y35-V50 HydrophobicContact CE2-CG2 3.42Å; Y35-V50 VanDerWaalsContact CE2-CG2 3.42Å; Y35-V50 HydrophobicContact CG-CG2 4.11Å; Y35-V50 PolarHBondContact OH-N 2.94Å; Y35-L126 HydrophobicContact CD1-CB 4.24Å; Y35-K127 CarbonylContact C-O 3.59Å; Y35-K127 VanDerWaalsContact CA-O 3.27Å; Y35-K127 WeakPolarHBondContact CA-O 3.45Å; Y35-L128 HydrophobicContact CD1-CB 4.28Å; Y35-L128 HydrophobicContact CD1-CD1 4.42Å; Y35-L128 HydrophobicContact CD2-CD1 4.5Å; Y35-L128 HydrophobicContact CE1-CB 3.85Å; Y35-L128 HydrophobicContact CE1-CD1 3.93Å; Y35-L128 HydrophobicContact CE1-CG 4.5Å; Y35-L128 HydrophobicContact CE2-CD1 4.03Å
36	S	95.2	Very high	82.3	Confident	14 Å²	14	62.2 Å²	62.2	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	151.1	176.6	60.4	0	0	0	0	111	Q41 L126 K127	S36-Q41 CarbonylContact C-O 3.59Å; S36-Q41 WeakPolarHBondContact CA-O 3.34Å; S36-L126 CarbonylContact O-C 3.52Å; S36-L126 VanDerWaalsContact O-CA 3.28Å; S36-L126 WeakPolarHBondContact O-CA 3.08Å; S36-K127 PolarHBondContact N-O 3.21Å; S36-K127 PolarHBondContact O-N 2.96Å
37	C	95.1	Very high	84.7	Confident	1 Å²	1	53 Å²	53	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	161.1	163.7	179.7	0	0	0	0	109.3	C39 G40 Q41 C100 I107	C37-C39 PolarHBondContact O-N 3.41Å; C37-G40 PolarHBondContact O-N 2.95Å; C37-Q41 PolarHBondContact N-O 3.24Å; C37-C100 HydrophobicContact CB-CB 4.43Å; C37-C100 VanDerWaalsContact CB-SG 3.53Å; C37-I107 HydrophobicContact CB-CD1 3.93Å
38	I	91.6	Very high	86.8	Confident	93 Å²	93	50.3 Å²	50.3	48%	0.477	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.7	173.9	-61	165.8	0	0	0	112.3	G40 L105	I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 3.06Å; I38-L105 HydrophobicContact CD1-CD2 3.87Å; I38-L105 HydrophobicContact CG1-CD2 4.37Å
39	C	93.5	Very high	88.9	Confident	64 Å²	64	46.6 Å²	46.6	43%	0.432	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.1	176.2	72.5	0	0	0	0	115	C37 S102 C103	C37-C39 PolarHBondContact O-N 3.41Å; C39-S102 PolarHBondContact SG-OG 3.12Å; C39-C103 HydrophobicContact CB-CB 3.93Å
40	G	91.7	Very high	90.6	Very high	40 Å²	40	39.8 Å²	39.8	41%	0.412	22%	0.221	S	C	.	.	S	Bend	trans	89.6	-6.1	-179.1	0	0	0	0	0	116.1	C37 I38 M42	C37-G40 PolarHBondContact O-N 2.95Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 3.06Å; G40-M42 PolarHBondContact O-N 3.2Å
41	Q	92.6	Very high	91.8	Very high	63 Å²	63	41.5 Å²	41.5	29%	0.294	23%	0.23	S	C	.	.			trans	-74.8	123.2	179.2	-178.9	67.2	17	0	0	111	S36 C37 S43 S102	S36-Q41 CarbonylContact C-O 3.59Å; S36-Q41 WeakPolarHBondContact CA-O 3.34Å; C37-Q41 PolarHBondContact N-O 3.24Å; Q41-S43 PolarHBondContact O-N 3.24Å; Q41-S43 PolarHBondContact O-OG 3.32Å; Q41-S102 VanDerWaalsContact CB-OG 3.25Å; Q41-S102 WeakPolarHBondContact CB-OG 3.34Å
42	M	93.5	Very high	92.5	Very high	28 Å²	28	44.7 Å²	44.7	14%	0.138	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	123.3	172.3	-75.7	-178.8	69.2	0	0	111.1	V34 G40 I45 T74 L135 M139	V34-M42 HydrophobicContact CB-CE 4.5Å; V34-M42 HydrophobicContact CG1-CE 3.38Å; V34-M42 HydrophobicContact CG1-CG 3.93Å; V34-M42 HydrophobicContact CG1-SD 4.14Å; V34-M42 HydrophobicContact CG2-CE 4.29Å; G40-M42 PolarHBondContact O-N 3.2Å; M42-I45 HydrophobicContact CE-CD1 3.85Å; M42-I45 HydrophobicContact CE-CG1 4.12Å; M42-T74 WeakPolarHBondContact O-CB 3.4Å; M42-L135 HydrophobicContact CE-CD2 3.91Å; M42-L135 HydrophobicContact SD-CD2 3.82Å; M42-M139 HydrophobicContact SD-SD 4.44Å
43	S	94.3	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-25.4	-171	-63	0	0	0	0	113.4	Y35 Q41 T74 I107	Y35-S43 PolarHBondContact O-N 3.43Å; Q41-S43 PolarHBondContact O-N 3.24Å; Q41-S43 PolarHBondContact O-OG 3.32Å; S43-T74 WeakPolarHBondContact CA-O 3.34Å; S43-T74 PolarHBondContact O-N 2.87Å; S43-I107 VanDerWaalsContact OG-CD1 3.23Å; S43-I107 WeakPolarHBondContact OG-CD1 3.47Å
44	L	94.7	Very high	93	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.6	176.5	171.6	70	0	0	0	110.7	Y35 I46 V50 I64 H71 K72 T73 F108 I121 L126	Y35-L44 HydrophobicContact CD2-CD2 4.24Å; Y35-L44 PolarHBondContact N-O 3.22Å; Y35-L44 PolarHBondContact O-N 3.43Å; Y35-L44 VanDerWaalsContact O-N 3.08Å; L44-I46 HydrophobicContact CD1-CB 4.32Å; L44-I46 HydrophobicContact CD2-CG2 4.13Å; L44-I46 HydrophobicContact CG-CB 4.31Å; L44-I46 HydrophobicContact CG-CG2 4.2Å; L44-V50 HydrophobicContact CD2-CG2 3.92Å; L44-I64 HydrophobicContact CD1-CD1 3.66Å; L44-I64 HydrophobicContact CD2-CD1 3.95Å; L44-I64 HydrophobicContact CG-CD1 4.48Å; L44-H71 HydrophobicContact CD1-CB 4.38Å; L44-K72 CarbonylContact C-O 3.49Å; L44-K72 WeakPolarHBondContact CA-O 3.38Å; L44-T73 HydrophobicContact CD1-CG2 3.67Å; L44-F108 HydrophobicContact CB-CE1 4.46Å; L44-F108 HydrophobicContact CB-CZ 3.99Å; L44-I121 HydrophobicContact CD2-CD1 3.69Å; L44-L126 HydrophobicContact CB-CD1 3.79Å; L44-L126 HydrophobicContact CD2-CD1 3.75Å; L44-L126 HydrophobicContact CG-CD1 4.45Å
45	I	94.4	Very high	93	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.205	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.8	165.7	-54	174.4	0	0	0	106.2	L32 F33 V34 M42 H71 K72	L32-I45 HydrophobicContact CB-CG2 4.1Å; L32-I45 HydrophobicContact CD1-CG2 4.23Å; F33-I45 WeakPolarHBondContact O-CA 3.37Å; V34-I45 HydrophobicContact CG2-CG1 4.41Å; M42-I45 HydrophobicContact CE-CD1 3.85Å; M42-I45 HydrophobicContact CE-CG1 4.12Å; I45-H71 CarbonylContact O-C 3.56Å; I45-H71 WeakPolarHBondContact O-CA 3.4Å; I45-K72 HydrophobicContact CB-CB 4.32Å; I45-K72 HydrophobicContact CD1-CD 4.49Å; I45-K72 PolarHBondContact N-O 3.46Å; I45-K72 PolarHBondContact O-N 3.34Å
46	I	92.7	Very high	92.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.8	-176.1	-172.7	162.6	0	0	0	111.8	F33 Y35 L44 C48 L53 I64 H71	F33-I46 PolarHBondContact N-O 3.28Å; F33-I46 PolarHBondContact O-N 3.48Å; Y35-I46 HydrophobicContact CD2-CG2 3.99Å; Y35-I46 HydrophobicContact CE2-CG2 3.82Å; L44-I46 HydrophobicContact CD1-CB 4.32Å; L44-I46 HydrophobicContact CD2-CG2 4.13Å; L44-I46 HydrophobicContact CG-CB 4.31Å; L44-I46 HydrophobicContact CG-CG2 4.2Å; I46-C48 WeakPolarHBondContact CG2-O 3.29Å; I46-C48 PolarHBondContact O-N 2.88Å; I46-L53 HydrophobicContact CD1-CD1 4.01Å; I46-L53 HydrophobicContact CD1-CD2 3.96Å; I46-L53 HydrophobicContact CD1-CG 4.46Å; I46-I64 HydrophobicContact CD1-CG1 4.21Å; I46-I64 HydrophobicContact CD1-CG2 4.37Å; I46-H71 HydrophobicContact CB-CB 4.28Å; I46-H71 HydrophobicContact CD1-CB 4.35Å; I46-H71 HydrophobicContact CG1-CB 4.15Å
47	D	90.3	Very high	92.7	Very high	26 Å²	26	52 Å²	52	14%	0.139	28%	0.28	C	S	.	.	S	Bend	trans	-69.9	-4.4	179.8	80.1	-56	0	0	0	115.1	K30 L32 R69 A70	K30-D47 WeakPolarHBondContact CD-O 3.26Å; K30-D47 WeakPolarHBondContact CE-O 3.32Å; K30-D47 PolarHBondContact NZ-O 3.39Å; K30-D47 VanDerWaalsContact NZ-O 3.1Å; K30-D47 IonicContact NZ-OD2 2.71Å; K30-D47 PolarHBondContact NZ-OD2 3.39Å; L32-D47 HydrophobicContact CD2-CB 4.32Å; D47-R69 WeakPolarHBondContact OD1-CB 3.3Å; D47-R69 WeakPolarHBondContact OD1-CD 3.42Å; D47-R69 WeakPolarHBondContact OD1-CG 3.43Å; D47-R69 IonicContact OD1-NH1 2.68Å; D47-R69 IonicContact OD2-NH1 2.76Å; D47-R69 PolarHBondContact OD2-NH1 2.96Å; D47-A70 PolarHBondContact N-O 2.85Å
48	C	88.7	Confident	92.5	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.034	30%	0.297	C	S	.	.	S	Bend	trans	-144.9	153.4	-177.5	73.1	0	0	0	0	112.5	I46 V50 L53 R69	I46-C48 WeakPolarHBondContact CG2-O 3.29Å; I46-C48 PolarHBondContact O-N 2.88Å; C48-V50 PolarHBondContact O-N 3.37Å; C48-L53 WeakPolarHBondContact SG-CD2 3.34Å; C48-R69 WeakPolarHBondContact SG-CD 3.19Å; C48-R69 PolarHBondContact SG-NE 3.41Å; C48-R69 VanDerWaalsContact SG-NE 3.4Å
49	L	91.6	Very high	92.5	Very high	47 Å²	47	54.4 Å²	54.4	25%	0.246	29%	0.286	C	S	.	.			trans	-55.6	132.7	169.3	-66.8	171	0	0	0	110.8	F33 Y35 E51 K52 L128	F33-L49 HydrophobicContact CD1-CD2 3.4Å; F33-L49 VanDerWaalsContact CD1-CD2 3.4Å; F33-L49 HydrophobicContact CD1-CG 4.12Å; F33-L49 HydrophobicContact CE1-CD2 3.44Å; F33-L49 VanDerWaalsContact CE1-CD2 3.44Å; F33-L49 HydrophobicContact CE1-CG 3.82Å; F33-L49 HydrophobicContact CE2-CG 4.27Å; F33-L49 HydrophobicContact CG-CD2 3.98Å; F33-L49 HydrophobicContact CG-CG 4.46Å; F33-L49 HydrophobicContact CZ-CD2 4.05Å; F33-L49 HydrophobicContact CZ-CG 3.9Å; Y35-L49 WeakPolarHBondContact OH-CA 3.4Å; L49-E51 PolarHBondContact O-N 2.99Å; L49-E51 VanDerWaalsContact O-N 3.1Å; L49-K52 HydrophobicContact CB-CG 4.39Å; L49-K52 WeakPolarHBondContact O-CB 3.43Å; L49-K52 PolarHBondContact O-N 3.36Å; L49-L128 HydrophobicContact CD2-CD2 4.14Å
50	V	92.5	Very high	92.4	Very high	21 Å²	21	53.5 Å²	53.5	13%	0.127	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-54.7	-30.1	178.5	165.1	0	0	0	0	111.9	Y35 L44 C48 K52 L53 R62 I121	Y35-V50 HydrophobicContact CD1-CG2 4.05Å; Y35-V50 HydrophobicContact CD2-CG2 3.81Å; Y35-V50 HydrophobicContact CE1-CB 3.98Å; Y35-V50 HydrophobicContact CE1-CG2 3.71Å; Y35-V50 HydrophobicContact CE2-CB 4.24Å; Y35-V50 HydrophobicContact CE2-CG2 3.42Å; Y35-V50 VanDerWaalsContact CE2-CG2 3.42Å; Y35-V50 HydrophobicContact CG-CG2 4.11Å; Y35-V50 PolarHBondContact OH-N 2.94Å; L44-V50 HydrophobicContact CD2-CG2 3.92Å; C48-V50 PolarHBondContact O-N 3.37Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 2.98Å; V50-L53 HydrophobicContact CB-CD1 4.49Å; V50-L53 HydrophobicContact CG1-CD1 4.5Å; V50-L53 HydrophobicContact CG2-CD1 4.35Å; V50-L53 WeakPolarHBondContact O-CB 3.45Å; V50-L53 PolarHBondContact O-N 2.77Å; V50-L53 VanDerWaalsContact O-N 3.16Å; V50-R62 HydrophobicContact CG1-CB 4.05Å; V50-R62 HydrophobicContact CG1-CG 3.8Å; V50-R62 WeakPolarHBondContact O-CD 3.43Å; V50-R62 WeakPolarHBondContact O-CG 3.49Å; V50-R62 PolarHBondContact O-NE 3.21Å; V50-I121 HydrophobicContact CG1-CD1 3.98Å; V50-I121 HydrophobicContact CG2-CD1 3.93Å
51	E	91.1	Very high	92.6	Very high	149 Å²	149	51.6 Å²	51.6	70%	0.696	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-62.1	-33.2	176.9	-62.7	-175.2	171	0	0	113.3	L49 L53 R62	L49-E51 PolarHBondContact O-N 2.99Å; L49-E51 VanDerWaalsContact O-N 3.1Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 2.87Å; E51-R62 PolarHBondContact O-NE 3.31Å; E51-R62 PolarHBondContact O-NH2 3.34Å
52	K	91.7	Very high	92.7	Very high	154 Å²	154	51.5 Å²	51.5	67%	0.67	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-79.9	-7.2	179	-63.2	-176.1	178	179.8	0	113.2	L49 V50	L49-K52 HydrophobicContact CB-CG 4.39Å; L49-K52 WeakPolarHBondContact O-CB 3.43Å; L49-K52 PolarHBondContact O-N 3.36Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 2.98Å
53	L	93.4	Very high	92.8	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	26%	0.256	C	S	.	.	S	Bend	trans	-71.1	149.8	175.8	-66.2	176.5	0	0	0	110.9	I46 C48 V50 E51 K55 R62 I64 R69 I121	I46-L53 HydrophobicContact CD1-CD1 4.01Å; I46-L53 HydrophobicContact CD1-CD2 3.96Å; I46-L53 HydrophobicContact CD1-CG 4.46Å; C48-L53 WeakPolarHBondContact SG-CD2 3.34Å; V50-L53 HydrophobicContact CB-CD1 4.49Å; V50-L53 HydrophobicContact CG1-CD1 4.5Å; V50-L53 HydrophobicContact CG2-CD1 4.35Å; V50-L53 WeakPolarHBondContact O-CB 3.45Å; V50-L53 PolarHBondContact O-N 2.77Å; V50-L53 VanDerWaalsContact O-N 3.16Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 2.87Å; L53-K55 PolarHBondContact O-N 2.99Å; L53-R62 HydrophobicContact CB-CB 4.06Å; L53-R62 HydrophobicContact CB-CG 4.44Å; L53-R62 HydrophobicContact CD1-CB 4.15Å; L53-R62 WeakPolarHBondContact O-CD 3.48Å; L53-R62 PolarHBondContact O-NE 3.37Å; L53-I64 HydrophobicContact CD1-CG1 3.87Å; L53-R69 VanDerWaalsContact CD2-CD 3.49Å; L53-R69 VanDerWaalsContact CD2-NE 3.28Å; L53-I121 HydrophobicContact CD1-CD1 3.81Å
54	P	94.7	Very high	92.8	Very high	82 Å²	82	51.5 Å²	51.5	53%	0.532	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-52.5	135	171.8	-23.9	33.4	0	0	0	110.5	V63	P54-V63 HydrophobicContact CB-CB 4.3Å; P54-V63 WeakPolarHBondContact O-CG2 3.36Å; P54-V63 PolarHBondContact O-N 2.99Å
55	K	94.9	Very high	92.7	Very high	105 Å²	105	52.9 Å²	52.9	46%	0.457	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-100.4	128.6	179	-174.4	-178.4	-177.1	-163.9	0	109	L53 D60 R62	L53-K55 PolarHBondContact O-N 2.99Å; K55-D60 VanDerWaalsContact CE-CA 3.47Å; K55-D60 WeakPolarHBondContact CE-OD1 3.36Å; K55-D60 IonicContact NZ-OD1 2.71Å; K55-D60 PolarHBondContact NZ-OD1 3.17Å; K55-D60 IonicContact NZ-OD2 3.42Å; K55-D60 PolarHBondContact NZ-OD2 3.21Å; K55-R62 VanDerWaalsContact CD-NH1 3.29Å; K55-R62 VanDerWaalsContact CG-NH1 3.3Å
56	R	93.5	Very high	92.5	Very high	41 Å²	41	52.6 Å²	52.6	16%	0.155	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-77.5	125.4	172.2	-174.9	174	-178.2	-139.7	-0.5	109.2	R58 D59 D60 A61 V63 E93 Y109	R56-R58 VanDerWaalsContact C-N 3.27Å; R56-R58 HydrophobicContact CG-CB 4.4Å; R56-R58 PolarHBondContact O-N 3.36Å; R56-D59 VanDerWaalsContact CD-OD1 3.28Å; R56-D59 WeakPolarHBondContact CD-OD1 3.34Å; R56-D59 WeakPolarHBondContact CG-OD1 3.36Å; R56-D59 IonicContact NH1-OD1 3.72Å; R56-D59 IonicContact NH1-OD2 3.57Å; R56-D60 VanDerWaalsContact O-CA 3.27Å; R56-D60 WeakPolarHBondContact O-CA 3.47Å; R56-D60 PolarHBondContact O-N 3.1Å; R56-A61 PolarHBondContact N-O 2.95Å; R56-V63 HydrophobicContact CB-CG2 4.41Å; R56-E93 IonicContact CZ-OE1 2.77Å; R56-E93 IonicContact CZ-OE2 3.47Å; R56-E93 IonicContact NH1-OE1 3.83Å; R56-E93 PolarHBondContact NH1-OE1 2.91Å; R56-E93 IonicContact NH1-OE2 3.12Å; R56-E93 PolarHBondContact NH1-OE2 2.92Å; R56-E93 IonicContact NH2-OE1 3.69Å; R56-E93 PolarHBondContact NH2-OE1 3.16Å; R56-E93 VanDerWaalsContact NH2-OE1 3.12Å; R56-E93 IonicContact NH2-OE2 3.37Å; R56-E93 PolarHBondContact NH2-OE2 2.86Å; R56-Y109 PolarHBondContact NH1-OH 3.11Å
57	P	91.1	Very high	92.4	Very high	125 Å²	125	56.9 Å²	56.9	81%	0.812	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.4	-175	26.9	-35	0	0	0	114.1
58	R	89.7	Confident	92.3	Very high	100 Å²	100	63.4 Å²	63.4	38%	0.377	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-37.5	-175.6	-172.3	175.2	-72.9	-143.4	0.2	113.1	R56 W88	R56-R58 VanDerWaalsContact C-N 3.27Å; R56-R58 HydrophobicContact CG-CB 4.4Å; R56-R58 PolarHBondContact O-N 3.36Å; R58-W88 HydrophobicContact CG-CD2 3.97Å; R58-W88 HydrophobicContact CG-CE3 3.89Å; R58-W88 HydrophobicContact CG-CH2 3.9Å; R58-W88 HydrophobicContact CG-CZ2 3.96Å; R58-W88 HydrophobicContact CG-CZ3 3.86Å
59	D	91.2	Very high	92.2	Very high	45 Å²	45	66.3 Å²	66.3	24%	0.241	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141	11	-170.7	67.9	-27.3	0	0	0	113.6	R56 A61 W88 Y109	R56-D59 VanDerWaalsContact CD-OD1 3.28Å; R56-D59 WeakPolarHBondContact CD-OD1 3.34Å; R56-D59 WeakPolarHBondContact CG-OD1 3.36Å; R56-D59 IonicContact NH1-OD1 3.72Å; R56-D59 IonicContact NH1-OD2 3.57Å; D59-A61 PolarHBondContact O-N 3.44Å; D59-A61 WeakPolarHBondContact OD1-CB 3.32Å; D59-A61 PolarHBondContact OD1-N 3.43Å; D59-A61 WeakPolarHBondContact OD2-CB 3.4Å; D59-W88 HydrophobicContact CB-CH2 4.18Å; D59-Y109 WeakPolarHBondContact OD2-CE1 3.44Å; D59-Y109 VanDerWaalsContact OD2-CZ 3.27Å; D59-Y109 PolarHBondContact OD2-OH 3.4Å
60	D	92.7	Very high	92.1	Very high	45 Å²	45	67.6 Å²	67.6	24%	0.241	36%	0.355	C	S	.	.			trans	60.1	9.8	-177.4	-71.6	-17.2	0	0	0	115.8	K55 R56 K123	K55-D60 VanDerWaalsContact CE-CA 3.47Å; K55-D60 WeakPolarHBondContact CE-OD1 3.36Å; K55-D60 IonicContact NZ-OD1 2.71Å; K55-D60 PolarHBondContact NZ-OD1 3.17Å; K55-D60 IonicContact NZ-OD2 3.42Å; K55-D60 PolarHBondContact NZ-OD2 3.21Å; R56-D60 VanDerWaalsContact O-CA 3.27Å; R56-D60 WeakPolarHBondContact O-CA 3.47Å; R56-D60 PolarHBondContact O-N 3.1Å; D60-K123 HydrophobicContact CB-CD 3.83Å; D60-K123 IonicContact OD2-NZ 2.78Å; D60-K123 PolarHBondContact OD2-NZ 3.48Å
61	A	95.4	Very high	92.1	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-64.3	145.4	-179.3	0	0	0	0	0	111.6	R56 D59 Y109 F120 I121	R56-A61 PolarHBondContact N-O 2.95Å; D59-A61 PolarHBondContact O-N 3.44Å; D59-A61 WeakPolarHBondContact OD1-CB 3.32Å; D59-A61 PolarHBondContact OD1-N 3.43Å; D59-A61 WeakPolarHBondContact OD2-CB 3.4Å; A61-Y109 HydrophobicContact CB-CE1 3.92Å; A61-Y109 WeakPolarHBondContact CB-OH 3.49Å; A61-F120 HydrophobicContact CB-CB 4.31Å; A61-I121 VanDerWaalsContact CA-O 3.28Å; A61-I121 WeakPolarHBondContact CA-O 3.49Å; A61-I121 VanDerWaalsContact CB-O 3.28Å; A61-I121 WeakPolarHBondContact CB-O 3.46Å
62	R	95.5	Very high	92.3	Very high	61 Å²	61	68.7 Å²	68.7	23%	0.23	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.3	174.3	-71.2	-59.9	-162	-86.5	4.6	110.1	V50 E51 L53 K55 F120 I121	V50-R62 HydrophobicContact CG1-CB 4.05Å; V50-R62 HydrophobicContact CG1-CG 3.8Å; V50-R62 WeakPolarHBondContact O-CD 3.43Å; V50-R62 WeakPolarHBondContact O-CG 3.49Å; V50-R62 PolarHBondContact O-NE 3.21Å; E51-R62 PolarHBondContact O-NE 3.31Å; E51-R62 PolarHBondContact O-NH2 3.34Å; L53-R62 HydrophobicContact CB-CB 4.06Å; L53-R62 HydrophobicContact CB-CG 4.44Å; L53-R62 HydrophobicContact CD1-CB 4.15Å; L53-R62 WeakPolarHBondContact O-CD 3.48Å; L53-R62 PolarHBondContact O-NE 3.37Å; K55-R62 VanDerWaalsContact CD-NH1 3.29Å; K55-R62 VanDerWaalsContact CG-NH1 3.3Å; R62-F120 CarbonylContact O-C 3.59Å; R62-F120 WeakPolarHBondContact O-CA 3.25Å; R62-I121 HydrophobicContact CB-CB 4.22Å; R62-I121 HydrophobicContact CB-CD1 4.13Å; R62-I121 HydrophobicContact CB-CG1 4.4Å; R62-I121 PolarHBondContact N-O 3.31Å; R62-I121 VanDerWaalsContact N-O 3.11Å; R62-I121 PolarHBondContact O-N 3.25Å
63	V	95.3	Very high	92.3	Very high	27 Å²	27	62.8 Å²	62.8	16%	0.164	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.3	-173.5	-170.9	0	0	0	0	109.9	P54 R56 T118 F120	P54-V63 HydrophobicContact CB-CB 4.3Å; P54-V63 WeakPolarHBondContact O-CG2 3.36Å; P54-V63 PolarHBondContact O-N 2.99Å; R56-V63 HydrophobicContact CB-CG2 4.41Å; V63-T118 HydrophobicContact CG1-CG2 3.33Å; V63-F120 HydrophobicContact CB-CD1 4.47Å; V63-F120 HydrophobicContact CB-CE1 4.4Å; V63-F120 HydrophobicContact CG1-CD1 4.43Å; V63-F120 HydrophobicContact CG1-CE1 4.07Å; V63-F120 HydrophobicContact CG1-CZ 4.45Å; V63-F120 HydrophobicContact CG2-CD1 3.73Å; V63-F120 HydrophobicContact CG2-CE1 3.57Å
64	I	94.6	Very high	92.4	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127	167.9	-57.2	167.1	0	0	0	107.7	L44 I46 L53 H71 F108 T118 E119 I121	L44-I64 HydrophobicContact CD1-CD1 3.66Å; L44-I64 HydrophobicContact CD2-CD1 3.95Å; L44-I64 HydrophobicContact CG-CD1 4.48Å; I46-I64 HydrophobicContact CD1-CG1 4.21Å; I46-I64 HydrophobicContact CD1-CG2 4.37Å; L53-I64 HydrophobicContact CD1-CG1 3.87Å; I64-H71 HydrophobicContact CG2-CB 4.15Å; I64-F108 HydrophobicContact CD1-CE1 4.42Å; I64-T118 WeakPolarHBondContact O-CA 2.96Å; I64-E119 PolarHBondContact N-O 3.1Å; I64-E119 PolarHBondContact O-N 3.44Å; I64-I121 HydrophobicContact CD1-CD1 3.61Å; I64-I121 HydrophobicContact CD1-CG1 3.58Å; I64-I121 HydrophobicContact CG1-CD1 3.78Å; I64-I121 HydrophobicContact CG1-CG1 3.87Å
65	D	92.5	Very high	92.3	Very high	30 Å²	30	60.4 Å²	60.4	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.8	174.8	-176.9	-9.7	0	0	0	108.2	S67 K68 R69	D65-S67 VanDerWaalsContact CG-OG 3.25Å; D65-S67 PolarHBondContact O-N 3.09Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 VanDerWaalsContact OD1-N 3.1Å; D65-S67 PolarHBondContact OD1-OG 3.4Å; D65-S67 PolarHBondContact OD2-OG 3.27Å; D65-K68 HydrophobicContact CB-CB 4.39Å; D65-K68 HydrophobicContact CB-CD 4.31Å; D65-K68 HydrophobicContact CB-CG 4.48Å; D65-K68 PolarHBondContact O-N 2.83Å; D65-K68 VanDerWaalsContact O-N 3.11Å; D65-K68 VanDerWaalsContact OD2-CD 3.27Å; D65-K68 WeakPolarHBondContact OD2-CD 3.48Å; D65-K68 WeakPolarHBondContact OD2-CE 3.4Å; D65-K68 IonicContact OD2-NZ 3.54Å; D65-K68 PolarHBondContact OD2-NZ 3.17Å; D65-K68 VanDerWaalsContact OD2-NZ 3.11Å; D65-R69 PolarHBondContact O-N 3.44Å; D65-R69 VanDerWaalsContact O-N 3.14Å
66	G	89.5	Confident	92.2	Very high	35 Å²	35	58.5 Å²	58.5	36%	0.361	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	-177.4	0	0	0	0	0	115.1	H71 T117	G66-H71 WeakPolarHBondContact CA-CE1 3.21Å; G66-T117 PolarHBondContact N-O 3.01Å
67	S	89.8	Confident	92.1	Very high	90 Å²	90	60.2 Å²	60.2	63%	0.629	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-25.5	174	67.3	0	0	0	0	113.2	D65	D65-S67 VanDerWaalsContact CG-OG 3.25Å; D65-S67 PolarHBondContact O-N 3.09Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 VanDerWaalsContact OD1-N 3.1Å; D65-S67 PolarHBondContact OD1-OG 3.4Å; D65-S67 PolarHBondContact OD2-OG 3.27Å
68	K	89.5	Confident	91.9	Very high	163 Å²	163	55.7 Å²	55.7	71%	0.709	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-24.8	-172.9	-66.2	176.1	-173.6	153.3	0	113.6	D65	D65-K68 HydrophobicContact CB-CB 4.39Å; D65-K68 HydrophobicContact CB-CD 4.31Å; D65-K68 HydrophobicContact CB-CG 4.48Å; D65-K68 PolarHBondContact O-N 2.83Å; D65-K68 VanDerWaalsContact O-N 3.11Å; D65-K68 VanDerWaalsContact OD2-CD 3.27Å; D65-K68 WeakPolarHBondContact OD2-CD 3.48Å; D65-K68 WeakPolarHBondContact OD2-CE 3.4Å; D65-K68 IonicContact OD2-NZ 3.54Å; D65-K68 PolarHBondContact OD2-NZ 3.17Å; D65-K68 VanDerWaalsContact OD2-NZ 3.11Å
69	R	86.3	Confident	91.8	Very high	66 Å²	66	54.4 Å²	54.4	25%	0.249	31%	0.309	C	S	.	.	S	Bend	trans	-134.5	129.3	-171	-65.7	-165.7	-174.5	-71.4	-0.4	111.6	D47 C48 L53 D65 H71	D47-R69 WeakPolarHBondContact OD1-CB 3.3Å; D47-R69 WeakPolarHBondContact OD1-CD 3.42Å; D47-R69 WeakPolarHBondContact OD1-CG 3.43Å; D47-R69 IonicContact OD1-NH1 2.68Å; D47-R69 IonicContact OD2-NH1 2.76Å; D47-R69 PolarHBondContact OD2-NH1 2.96Å; C48-R69 WeakPolarHBondContact SG-CD 3.19Å; C48-R69 PolarHBondContact SG-NE 3.41Å; C48-R69 VanDerWaalsContact SG-NE 3.4Å; L53-R69 VanDerWaalsContact CD2-CD 3.49Å; L53-R69 VanDerWaalsContact CD2-NE 3.28Å; D65-R69 PolarHBondContact O-N 3.44Å; D65-R69 VanDerWaalsContact O-N 3.14Å; R69-H71 PolarHBondContact O-N 3.19Å; R69-H71 PolarHBondContact O-ND1 3.05Å
70	A	90.2	Very high	91.6	Very high	73 Å²	73	56.2 Å²	56.2	60%	0.603	32%	0.323	S	S	*	.			trans	-65.7	118.9	165.9	0	0	0	0	0	108.4	D47	D47-A70 PolarHBondContact N-O 2.85Å
71	H	92.4	Very high	91.4	Very high	60 Å²	60	61.1 Å²	61.1	28%	0.278	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.3	179.8	70.7	-74.9	0	0	0	110.6	L44 I45 I46 I64 G66 R69	L44-H71 HydrophobicContact CD1-CB 4.38Å; I45-H71 CarbonylContact O-C 3.56Å; I45-H71 WeakPolarHBondContact O-CA 3.4Å; I46-H71 HydrophobicContact CB-CB 4.28Å; I46-H71 HydrophobicContact CD1-CB 4.35Å; I46-H71 HydrophobicContact CG1-CB 4.15Å; I64-H71 HydrophobicContact CG2-CB 4.15Å; G66-H71 WeakPolarHBondContact CA-CE1 3.21Å; R69-H71 PolarHBondContact O-N 3.19Å; R69-H71 PolarHBondContact O-ND1 3.05Å
72	K	93.5	Very high	91.1	Very high	133 Å²	133	64.8 Å²	64.8	58%	0.578	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.6	173.6	-176.5	175.8	-179.9	178.8	0	108.6	L44 I45	L44-K72 CarbonylContact C-O 3.49Å; L44-K72 WeakPolarHBondContact CA-O 3.38Å; I45-K72 HydrophobicContact CB-CB 4.32Å; I45-K72 HydrophobicContact CD1-CD 4.49Å; I45-K72 PolarHBondContact N-O 3.46Å; I45-K72 PolarHBondContact O-N 3.34Å
73	T	93.6	Very high	91	Very high	31 Å²	31	63.5 Å²	63.5	19%	0.19	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.9	177.3	51.9	0	0	0	0	111.7	L44 R98 F108 E119	L44-T73 HydrophobicContact CD1-CG2 3.67Å; T73-R98 PolarHBondContact OG1-NH1 3.26Å; T73-F108 HydrophobicContact CG2-CE1 4.19Å; T73-F108 HydrophobicContact CG2-CE2 4.2Å; T73-F108 HydrophobicContact CG2-CZ 3.96Å; T73-E119 WeakPolarHBondContact CG2-OE2 3.46Å; T73-E119 PolarHBondContact OG1-OE2 3.21Å
74	T	94.3	Very high	90.9	Very high	33 Å²	33	64.5 Å²	64.5	20%	0.202	38%	0.375	C	S	.	.			trans	-112.6	88.6	176.9	-58.1	0	0	0	0	108.8	M42 S43 K101	M42-T74 WeakPolarHBondContact O-CB 3.4Å; S43-T74 WeakPolarHBondContact CA-O 3.34Å; S43-T74 PolarHBondContact O-N 2.87Å; T74-K101 HydrophobicContact CG2-CD 4.04Å
75	A	93.5	Very high	90.9	Very high	6 Å²	6	71.3 Å²	71.3	5%	0.05	40%	0.401	C	S	.	.	S	Bend	trans	-143.7	169.2	174.9	0	0	0	0	0	109.6	R98 Y99 F108	A75-R98 HydrophobicContact CB-CB 4Å; A75-R98 PolarHBondContact O-NH2 2.68Å; A75-Y99 WeakPolarHBondContact CA-O 3.48Å; A75-Y99 WeakPolarHBondContact CB-O 3.28Å; A75-F108 HydrophobicContact CB-CD2 3.78Å; A75-F108 HydrophobicContact CB-CE2 3.93Å
76	T	92.8	Very high	90.9	Very high	64 Å²	64	71.7 Å²	71.7	39%	0.393	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-53.7	149.2	173.4	-53.7	0	0	0	0	110.8	R98 Y99	T76-R98 PolarHBondContact O-NE 2.94Å; T76-R98 PolarHBondContact O-NH2 2.76Å; T76-Y99 PolarHBondContact N-O 3.49Å; T76-Y99 PolarHBondContact OG1-O 3.33Å
77	A	90.2	Very high	91.1	Very high	77 Å²	77	80.7 Å²	80.7	64%	0.636	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-58.9	150.9	173.7	0	0	0	0	0	110.5	N79	A77-N79 PolarHBondContact O-N 3.37Å
78	V	87.5	Confident	91.3	Very high	31 Å²	31	79.3 Å²	79.3	19%	0.188	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.4	174.7	-179.5	0	0	0	0	108.2	P80 F96 R98	V78-P80 VanDerWaalsContact O-CD 3.3Å; V78-P80 WeakPolarHBondContact O-CD 3.47Å; V78-F96 HydrophobicContact CG1-CB 3.53Å; V78-F96 HydrophobicContact CG1-CD1 4.21Å; V78-F96 HydrophobicContact CG1-CG 4.07Å; V78-R98 HydrophobicContact CG2-CG 3.66Å
79	N	87.8	Confident	91.4	Very high	73 Å²	73	77.7 Å²	77.7	39%	0.39	41%	0.413	S	S	.	.			trans	-89.4	109.4	173.4	-174	-17.1	0	0	0	109.3	A77 L81 T82	A77-N79 PolarHBondContact O-N 3.37Å; N79-L81 PolarHBondContact O-N 3.31Å; N79-L81 WeakPolarHBondContact OD1-CB 3.41Å; N79-L81 PolarHBondContact OD1-N 2.91Å; N79-T82 WeakPolarHBondContact CB-OG1 3.32Å; N79-T82 PolarHBondContact O-N 2.97Å
80	P	86.9	Confident	91.6	Very high	83 Å²	83	81.2 Å²	81.2	54%	0.539	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.4	-178.2	28.5	-34.8	0	0	0	113.1	V78 A113	V78-P80 VanDerWaalsContact O-CD 3.3Å; V78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-A113 HydrophobicContact CB-CB 4.08Å
81	L	87.7	Confident	91.7	Very high	148 Å²	148	79.5 Å²	79.5	78%	0.775	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-19.7	-177	-58.7	172	0	0	0	112.9	N79 P83	N79-L81 PolarHBondContact O-N 3.31Å; N79-L81 WeakPolarHBondContact OD1-CB 3.41Å; N79-L81 PolarHBondContact OD1-N 2.91Å; L81-P83 WeakPolarHBondContact O-CD 3.46Å
82	T	89.9	Confident	91.8	Very high	77 Å²	77	82.7 Å²	82.7	47%	0.472	44%	0.444	S	S	.	.			trans	-118.9	66.1	-174.9	62.1	0	0	0	0	111.9	N79	N79-T82 WeakPolarHBondContact CB-OG1 3.32Å; N79-T82 PolarHBondContact O-N 2.97Å
83	P	92.2	Very high	91.7	Very high	34 Å²	34	77 Å²	77	22%	0.221	42%	0.42	C	S	.	.			trans	-71.2	144.7	170.3	30.8	-33.4	0	0	0	111.1	L81 Y85 K94 F96	L81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-Y85 HydrophobicContact CB-CE2 4.13Å; P83-Y85 HydrophobicContact CG-CE2 3.82Å; P83-K94 HydrophobicContact CB-CD 4.25Å; P83-K94 HydrophobicContact CB-CG 3.92Å; P83-F96 HydrophobicContact CB-CD1 4.19Å; P83-F96 HydrophobicContact CB-CE1 3.75Å; P83-F96 HydrophobicContact CB-CZ 4.16Å
84	I	93.7	Very high	91.7	Very high	47 Å²	47	79.7 Å²	79.7	24%	0.241	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127	174.3	-64.8	171.4	0	0	0	108.3	I86 Q95 R97	I84-I86 HydrophobicContact CG2-CG1 4.21Å; I84-Q95 PolarHBondContact N-O 3.32Å; I84-Q95 PolarHBondContact O-N 3.23Å; I84-R97 HydrophobicContact CD1-CB 4.33Å; I84-R97 HydrophobicContact CD1-CG 3.77Å
85	Y	94.1	Very high	91.7	Very high	144 Å²	144	78.3 Å²	78.3	57%	0.565	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	119.8	177.5	-64.3	-89.5	0	0	0	109.6	P83 I92 E93 K94	P83-Y85 HydrophobicContact CB-CE2 4.13Å; P83-Y85 HydrophobicContact CG-CE2 3.82Å; Y85-I92 HydrophobicContact CD1-CG2 3.95Å; Y85-I92 HydrophobicContact CG-CG2 4.46Å; Y85-E93 WeakPolarHBondContact CA-O 3.28Å; Y85-K94 HydrophobicContact CD1-CB 4.18Å; Y85-K94 HydrophobicContact CD1-CG 4.28Å; Y85-K94 HydrophobicContact CE1-CB 4Å; Y85-K94 HydrophobicContact CE1-CD 4.01Å; Y85-K94 HydrophobicContact CE1-CG 3.8Å
86	I	93.7	Very high	91.7	Very high	38 Å²	38	78.5 Å²	78.5	20%	0.195	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.2	177.3	-55.2	-175.3	0	0	0	108.6	I84 W88 I92 E93 Q95	I84-I86 HydrophobicContact CG2-CG1 4.21Å; I86-W88 HydrophobicContact CG2-CD2 4.17Å; I86-W88 HydrophobicContact CG2-CZ2 3.76Å; I86-I92 WeakPolarHBondContact O-CA 3.47Å; I86-E93 PolarHBondContact N-O 3.04Å; I86-E93 PolarHBondContact O-N 3.38Å; I86-Q95 VanDerWaalsContact CD1-CD 3.43Å; I86-Q95 HydrophobicContact CD1-CG 4.31Å; I86-Q95 VanDerWaalsContact CD1-OE1 3.23Å
87	R	94.3	Very high	91.7	Very high	224 Å²	224	79.1 Å²	79.1	85%	0.845	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.7	174.8	-173.1	177.6	-178.7	178.9	0.6	109.6
88	W	92.8	Very high	91.9	Very high	61 Å²	61	76.6 Å²	76.6	23%	0.231	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	166.5	172.2	-60.6	103.3	0	0	0	110	R58 D59 I86 N90 G91 E93	R58-W88 HydrophobicContact CG-CD2 3.97Å; R58-W88 HydrophobicContact CG-CE3 3.89Å; R58-W88 HydrophobicContact CG-CH2 3.9Å; R58-W88 HydrophobicContact CG-CZ2 3.96Å; R58-W88 HydrophobicContact CG-CZ3 3.86Å; D59-W88 HydrophobicContact CB-CH2 4.18Å; I86-W88 HydrophobicContact CG2-CD2 4.17Å; I86-W88 HydrophobicContact CG2-CZ2 3.76Å; W88-N90 PolarHBondContact O-N 3.23Å; W88-G91 WeakPolarHBondContact CA-O 3.36Å; W88-G91 WeakPolarHBondContact CB-O 3.38Å; W88-G91 PolarHBondContact N-O 3.43Å; W88-G91 PolarHBondContact O-N 2.92Å; W88-G91 VanDerWaalsContact O-O 3.12Å; W88-E93 PolarHBondContact NE1-OE2 2.66Å
89	P	92.7	Very high	92.3	Very high	129 Å²	129	79 Å²	79	84%	0.838	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.1	172.9	-26.1	35.3	0	0	0	112.9
90	N	89.8	Confident	92.7	Very high	140 Å²	140	75.7 Å²	75.7	75%	0.749	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	25.6	-175.1	-58.1	-8.9	0	0	0	113.2	W88	W88-N90 PolarHBondContact O-N 3.23Å
91	G	92.4	Very high	93.1	Very high	36 Å²	36	77.9 Å²	77.9	37%	0.371	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.6	-171	177.3	0	0	0	0	0	114.8	W88	W88-G91 WeakPolarHBondContact CA-O 3.36Å; W88-G91 WeakPolarHBondContact CB-O 3.38Å; W88-G91 PolarHBondContact N-O 3.43Å; W88-G91 PolarHBondContact O-N 2.92Å; W88-G91 VanDerWaalsContact O-O 3.12Å
92	I	93.2	Very high	93.4	Very high	128 Å²	128	74.2 Å²	74.2	66%	0.656	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.5	-176.5	-59	170	0	0	0	109.5	Y85 I86	Y85-I92 HydrophobicContact CD1-CG2 3.95Å; Y85-I92 HydrophobicContact CG-CG2 4.46Å; I86-I92 WeakPolarHBondContact O-CA 3.47Å
93	E	92.6	Very high	93.6	Very high	14 Å²	14	73.9 Å²	73.9	7%	0.065	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.3	177.4	-177	179.7	151.7	0	0	110.6	R56 Y85 I86 W88 Q95 H111	R56-E93 IonicContact CZ-OE1 2.77Å; R56-E93 IonicContact CZ-OE2 3.47Å; R56-E93 IonicContact NH1-OE1 3.83Å; R56-E93 PolarHBondContact NH1-OE1 2.91Å; R56-E93 IonicContact NH1-OE2 3.12Å; R56-E93 PolarHBondContact NH1-OE2 2.92Å; R56-E93 IonicContact NH2-OE1 3.69Å; R56-E93 PolarHBondContact NH2-OE1 3.16Å; R56-E93 VanDerWaalsContact NH2-OE1 3.12Å; R56-E93 IonicContact NH2-OE2 3.37Å; R56-E93 PolarHBondContact NH2-OE2 2.86Å; Y85-E93 WeakPolarHBondContact CA-O 3.28Å; I86-E93 PolarHBondContact N-O 3.04Å; I86-E93 PolarHBondContact O-N 3.38Å; W88-E93 PolarHBondContact NE1-OE2 2.66Å; E93-Q95 HydrophobicContact CG-CG 4.13Å; E93-Q95 PolarHBondContact OE1-NE2 2.94Å; E93-H111 IonicContact OE1-CD2 3.76Å; E93-H111 IonicContact OE1-CE1 3.89Å; E93-H111 IonicContact OE1-NE2 3.77Å; E93-H111 PolarHBondContact OE1-NE2 2.94Å
94	K	93.1	Very high	93.7	Very high	87 Å²	87	74.1 Å²	74.1	38%	0.378	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.6	172.6	-169.9	-179.1	-175.7	-176.9	0	109.5	P83 Y85 F96	P83-K94 HydrophobicContact CB-CD 4.25Å; P83-K94 HydrophobicContact CB-CG 3.92Å; Y85-K94 HydrophobicContact CD1-CB 4.18Å; Y85-K94 HydrophobicContact CD1-CG 4.28Å; Y85-K94 HydrophobicContact CE1-CB 4Å; Y85-K94 HydrophobicContact CE1-CD 4.01Å; Y85-K94 HydrophobicContact CE1-CG 3.8Å; K94-F96 HydrophobicContact CD-CE2 4.28Å; K94-F96 HydrophobicContact CD-CZ 4.22Å; K94-F96 VanDerWaalsContact CE-CZ 3.43Å; K94-F96 HydrophobicContact CG-CE2 4.38Å
95	Q	93.8	Very high	93.7	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.019	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.5	177.8	-65.9	-171.6	-7.5	0	0	111.1	I84 I86 E93 Y109 R110	I84-Q95 PolarHBondContact N-O 3.32Å; I84-Q95 PolarHBondContact O-N 3.23Å; I86-Q95 VanDerWaalsContact CD1-CD 3.43Å; I86-Q95 HydrophobicContact CD1-CG 4.31Å; I86-Q95 VanDerWaalsContact CD1-OE1 3.23Å; E93-Q95 HydrophobicContact CG-CG 4.13Å; E93-Q95 PolarHBondContact OE1-NE2 2.94Å; Q95-Y109 HydrophobicContact CB-CD2 4.41Å; Q95-Y109 HydrophobicContact CG-CD2 3.96Å; Q95-Y109 HydrophobicContact CG-CE2 4.39Å; Q95-R110 CarbonylContact C-O 3.53Å
96	F	94.1	Very high	93.7	Very high	10 Å²	10	69.6 Å²	69.6	4%	0.044	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.8	168.9	-59.8	-89.3	0	0	0	108.7	V78 P83 K94 Y109 R110 H111 A113	V78-F96 HydrophobicContact CG1-CB 3.53Å; V78-F96 HydrophobicContact CG1-CD1 4.21Å; V78-F96 HydrophobicContact CG1-CG 4.07Å; P83-F96 HydrophobicContact CB-CD1 4.19Å; P83-F96 HydrophobicContact CB-CE1 3.75Å; P83-F96 HydrophobicContact CB-CZ 4.16Å; K94-F96 HydrophobicContact CD-CE2 4.28Å; K94-F96 HydrophobicContact CD-CZ 4.22Å; K94-F96 VanDerWaalsContact CE-CZ 3.43Å; K94-F96 HydrophobicContact CG-CE2 4.38Å; F96-Y109 CarbonylContact O-C 3.52Å; F96-Y109 WeakPolarHBondContact O-CA 3.44Å; F96-R110 PolarHBondContact N-O 2.99Å; F96-R110 PolarHBondContact O-N 3.06Å; F96-H111 WeakPolarHBondContact CE2-O 3.07Å; F96-A113 HydrophobicContact CD1-CB 4.22Å; F96-A113 HydrophobicContact CD2-CB 4.37Å; F96-A113 HydrophobicContact CE1-CB 3.88Å; F96-A113 HydrophobicContact CE2-CB 4.04Å; F96-A113 HydrophobicContact CG-CB 4.44Å; F96-A113 HydrophobicContact CZ-CB 3.76Å
97	R	93.9	Very high	93.8	Very high	77 Å²	77	67.8 Å²	67.8	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	147.3	-177.2	-68.7	-173.1	-175.9	173.8	-2.1	111.4	I84 Y99 F108 M122	I84-R97 HydrophobicContact CD1-CB 4.33Å; I84-R97 HydrophobicContact CD1-CG 3.77Å; R97-Y99 HydrophobicContact CB-CE1 4.46Å; R97-Y99 HydrophobicContact CB-CE2 4.07Å; R97-F108 WeakPolarHBondContact CA-O 3.34Å; R97-M122 HydrophobicContact CG-CE 3.71Å
98	R	94.6	Very high	93.9	Very high	23 Å²	23	57.1 Å²	57.1	9%	0.087	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.6	169.2	-61.1	-179.5	70	-162.8	0.5	109.5	T73 A75 T76 V78 I107 F108 E119	T73-R98 PolarHBondContact OG1-NH1 3.26Å; A75-R98 HydrophobicContact CB-CB 4Å; A75-R98 PolarHBondContact O-NH2 2.68Å; T76-R98 PolarHBondContact O-NE 2.94Å; T76-R98 PolarHBondContact O-NH2 2.76Å; V78-R98 HydrophobicContact CG2-CG 3.66Å; R98-I107 PolarHBondContact O-N 3.07Å; R98-F108 HydrophobicContact CB-CB 4.25Å; R98-F108 PolarHBondContact N-O 3.13Å; R98-F108 PolarHBondContact O-N 3.46Å; R98-E119 WeakPolarHBondContact CD-OE1 3.3Å; R98-E119 IonicContact CZ-OE1 3.75Å; R98-E119 IonicContact NE-OE1 3.52Å; R98-E119 IonicContact NH1-OE1 2.7Å; R98-E119 PolarHBondContact NH1-OE1 2.93Å; R98-E119 IonicContact NH1-OE2 3.42Å; R98-E119 PolarHBondContact NH1-OE2 3.41Å
99	Y	95.1	Very high	94	Very high	82 Å²	82	54.3 Å²	54.3	32%	0.322	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155.1	-169.3	-57.8	-87	0	0	0	111.5	A75 T76 R97 G104 L105 P106	A75-Y99 WeakPolarHBondContact CA-O 3.48Å; A75-Y99 WeakPolarHBondContact CB-O 3.28Å; T76-Y99 PolarHBondContact N-O 3.49Å; T76-Y99 PolarHBondContact OG1-O 3.33Å; R97-Y99 HydrophobicContact CB-CE1 4.46Å; R97-Y99 HydrophobicContact CB-CE2 4.07Å; Y99-G104 WeakPolarHBondContact CD1-O 3.43Å; Y99-L105 CarbonylContact C-O 3.54Å; Y99-L105 VanDerWaalsContact CA-O 3.28Å; Y99-L105 WeakPolarHBondContact CA-O 3.45Å; Y99-P106 HydrophobicContact CD1-CB 3.91Å; Y99-P106 HydrophobicContact CE1-CB 3.87Å
100	C	96.4	Very high	94	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.02	27%	0.27	C	S	.	.			trans	-60.6	135.8	169.7	-167.1	0	0	0	0	109.9	C37 S102 C103 G104 L105 I107	C37-C100 HydrophobicContact CB-CB 4.43Å; C37-C100 VanDerWaalsContact CB-SG 3.53Å; C100-S102 VanDerWaalsContact C-N 3.26Å; C100-S102 PolarHBondContact O-N 3.39Å; C100-S102 PolarHBondContact SG-OG 3.38Å; C100-C103 VanDerWaalsContact CB-SG 3.56Å; C100-G104 VanDerWaalsContact O-CA 3.29Å; C100-G104 WeakPolarHBondContact O-CA 3.49Å; C100-G104 PolarHBondContact O-N 3.02Å; C100-L105 HydrophobicContact CB-CB 4.27Å; C100-L105 PolarHBondContact N-O 3.41Å; C100-I107 HydrophobicContact CB-CD1 3.65Å; C100-I107 HydrophobicContact CB-CG1 4.18Å
101	K	94.1	Very high	94.1	Very high	129 Å²	129	47 Å²	47	56%	0.561	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-26	-179.3	-63.8	-174.3	-180	-176	0	113.6	T74	T74-K101 HydrophobicContact CG2-CD 4.04Å
102	S	94.1	Very high	93.9	Very high	72 Å²	72	48.1 Å²	48.1	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-56.6	-177.3	50.9	0	0	0	0	112.5	C39 Q41 C100	C39-S102 PolarHBondContact SG-OG 3.12Å; Q41-S102 VanDerWaalsContact CB-OG 3.25Å; Q41-S102 WeakPolarHBondContact CB-OG 3.34Å; C100-S102 VanDerWaalsContact C-N 3.26Å; C100-S102 PolarHBondContact O-N 3.39Å; C100-S102 PolarHBondContact SG-OG 3.38Å
103	C	95.3	Very high	93.4	Very high	69 Å²	69	43.5 Å²	43.5	47%	0.466	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.9	-174.7	66.3	0	0	0	0	114.9	C39 C100 L105	C39-C103 HydrophobicContact CB-CB 3.93Å; C100-C103 VanDerWaalsContact CB-SG 3.56Å; C103-L105 PolarHBondContact O-N 3.41Å; C103-L105 VanDerWaalsContact SG-CB 3.51Å
104	G	93	Very high	93	Very high	40 Å²	40	50 Å²	50	41%	0.412	26%	0.263	S	S	.	.			trans	70.4	12.1	-176.9	0	0	0	0	0	115.2	Y99 C100	Y99-G104 WeakPolarHBondContact CD1-O 3.43Å; C100-G104 VanDerWaalsContact O-CA 3.29Å; C100-G104 WeakPolarHBondContact O-CA 3.49Å; C100-G104 PolarHBondContact O-N 3.02Å
105	L	94.2	Very high	91.9	Very high	59 Å²	59	53.2 Å²	53.2	31%	0.309	28%	0.284	S	S	.	.			trans	-64.1	134.5	175.2	-175.4	77.4	0	0	0	110.5	I38 Y99 C100 C103 I107	I38-L105 HydrophobicContact CD1-CD2 3.87Å; I38-L105 HydrophobicContact CG1-CD2 4.37Å; Y99-L105 CarbonylContact C-O 3.54Å; Y99-L105 VanDerWaalsContact CA-O 3.28Å; Y99-L105 WeakPolarHBondContact CA-O 3.45Å; C100-L105 HydrophobicContact CB-CB 4.27Å; C100-L105 PolarHBondContact N-O 3.41Å; C103-L105 PolarHBondContact O-N 3.41Å; C103-L105 VanDerWaalsContact SG-CB 3.51Å; L105-I107 WeakPolarHBondContact O-CG1 3.34Å; L105-I107 PolarHBondContact O-N 3.4Å
106	P	94.9	Very high	91.2	Very high	36 Å²	36	54 Å²	54	23%	0.234	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.3	172.6	28.8	-34.5	0	0	0	110.3	Y99 M122	Y99-P106 HydrophobicContact CD1-CB 3.91Å; Y99-P106 HydrophobicContact CE1-CB 3.87Å; P106-M122 HydrophobicContact CB-CE 4.02Å; P106-M122 HydrophobicContact CB-SD 3.78Å; P106-M122 HydrophobicContact CG-SD 4.16Å
107	I	96	Very high	90.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-47.3	-176.6	-56.3	-178	0	0	0	111.1	C37 S43 R98 C100 L105 M122 A125 L126	C37-I107 HydrophobicContact CB-CD1 3.93Å; S43-I107 VanDerWaalsContact OG-CD1 3.23Å; S43-I107 WeakPolarHBondContact OG-CD1 3.47Å; R98-I107 PolarHBondContact O-N 3.07Å; C100-I107 HydrophobicContact CB-CD1 3.65Å; C100-I107 HydrophobicContact CB-CG1 4.18Å; L105-I107 WeakPolarHBondContact O-CG1 3.34Å; L105-I107 PolarHBondContact O-N 3.4Å; I107-M122 PolarHBondContact O-N 2.93Å; I107-A125 HydrophobicContact CB-CB 4.43Å; I107-A125 HydrophobicContact CG2-CB 4.15Å; I107-L126 HydrophobicContact CD1-CD2 4.35Å; I107-L126 HydrophobicContact CG2-CD1 4.12Å; I107-L126 HydrophobicContact CG2-CD2 3.54Å; I107-L126 HydrophobicContact CG2-CG 3.75Å
108	F	95.6	Very high	90.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	159.2	-176.3	-49.1	-76	0	0	0	110.7	L44 I64 T73 A75 R97 R98 E119 F120 I121 L126	L44-F108 HydrophobicContact CB-CE1 4.46Å; L44-F108 HydrophobicContact CB-CZ 3.99Å; I64-F108 HydrophobicContact CD1-CE1 4.42Å; T73-F108 HydrophobicContact CG2-CE1 4.19Å; T73-F108 HydrophobicContact CG2-CE2 4.2Å; T73-F108 HydrophobicContact CG2-CZ 3.96Å; A75-F108 HydrophobicContact CB-CD2 3.78Å; A75-F108 HydrophobicContact CB-CE2 3.93Å; R97-F108 WeakPolarHBondContact CA-O 3.34Å; R98-F108 HydrophobicContact CB-CB 4.25Å; R98-F108 PolarHBondContact N-O 3.13Å; R98-F108 PolarHBondContact O-N 3.46Å; F108-E119 HydrophobicContact CB-CG 3.78Å; F108-E119 WeakPolarHBondContact CB-OE1 3.45Å; F108-E119 HydrophobicContact CD1-CG 4.16Å; F108-E119 HydrophobicContact CG-CG 4.14Å; F108-F120 CarbonylContact C-O 3.46Å; F108-F120 WeakPolarHBondContact CA-O 3.32Å; F108-I121 HydrophobicContact CD1-CB 4.38Å; F108-I121 HydrophobicContact CD1-CG1 4.07Å; F108-I121 HydrophobicContact CD1-CG2 4.43Å; F108-I121 HydrophobicContact CE1-CB 4.47Å; F108-I121 HydrophobicContact CE1-CG1 3.98Å; F108-I121 HydrophobicContact CE1-CG2 4.23Å; F108-L126 HydrophobicContact CE1-CD1 3.95Å; F108-L126 HydrophobicContact CZ-CD1 4Å
109	Y	94.7	Very high	90.8	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.5	164.9	69.8	-91.7	0	0	0	111.5	R56 D59 A61 Q95 F96 H111 F120 M122	R56-Y109 PolarHBondContact NH1-OH 3.11Å; D59-Y109 WeakPolarHBondContact OD2-CE1 3.44Å; D59-Y109 VanDerWaalsContact OD2-CZ 3.27Å; D59-Y109 PolarHBondContact OD2-OH 3.4Å; A61-Y109 HydrophobicContact CB-CE1 3.92Å; A61-Y109 WeakPolarHBondContact CB-OH 3.49Å; Q95-Y109 HydrophobicContact CB-CD2 4.41Å; Q95-Y109 HydrophobicContact CG-CD2 3.96Å; Q95-Y109 HydrophobicContact CG-CE2 4.39Å; F96-Y109 CarbonylContact O-C 3.52Å; F96-Y109 WeakPolarHBondContact O-CA 3.44Å; Y109-H111 AromaticContact CE2-CE1 3.72Å; Y109-F120 HydrophobicContact CD1-CB 3.82Å; Y109-F120 HydrophobicContact CD2-CB 3.91Å; Y109-F120 HydrophobicContact CD2-CD2 4.13Å; Y109-F120 HydrophobicContact CD2-CG 4.24Å; Y109-F120 HydrophobicContact CE1-CB 3.4Å; Y109-F120 HydrophobicContact CE1-CG 4.3Å; Y109-F120 HydrophobicContact CE2-CB 3.45Å; Y109-F120 VanDerWaalsContact CE2-CB 3.45Å; Y109-F120 HydrophobicContact CE2-CD1 4.27Å; Y109-F120 AromaticContact CE2-CD2 3.67Å; Y109-F120 HydrophobicContact CE2-CD2 3.67Å; Y109-F120 AromaticContact CE2-CG 3.53Å; Y109-F120 HydrophobicContact CE2-CG 3.53Å; Y109-F120 HydrophobicContact CG-CB 4.07Å; Y109-F120 AromaticContact CZ-CG 3.57Å; Y109-F120 PolarHBondContact N-O 3.42Å; Y109-F120 PolarHBondContact O-N 3.03Å; Y109-M122 HydrophobicContact CD1-CE 3.79Å; Y109-M122 HydrophobicContact CD1-CG 3.86Å; Y109-M122 HydrophobicContact CE1-CG 4.33Å; Y109-M122 HydrophobicContact CG-CE 4.31Å
110	R	93.2	Very high	90.9	Very high	45 Å²	45	52.4 Å²	52.4	17%	0.17	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.3	177.6	-67.3	161.1	174.6	-133.5	-2.4	109.2	Q95 F96 S112 S116 E119	Q95-R110 CarbonylContact C-O 3.53Å; F96-R110 PolarHBondContact N-O 2.99Å; F96-R110 PolarHBondContact O-N 3.06Å; R110-S112 WeakPolarHBondContact CB-O 3.41Å; R110-S116 WeakPolarHBondContact CD-OG 3.5Å; R110-S116 VanDerWaalsContact CG-OG 3.23Å; R110-S116 WeakPolarHBondContact CG-OG 3.37Å; R110-S116 PolarHBondContact NE-OG 3.19Å; R110-S116 PolarHBondContact NH1-OG 3.34Å; R110-S116 VanDerWaalsContact NH1-OG 3.07Å; R110-E119 HydrophobicContact CG-CB 4.42Å; R110-E119 HydrophobicContact CG-CG 4.26Å; R110-E119 IonicContact CZ-OE1 2.93Å; R110-E119 IonicContact CZ-OE2 3.35Å; R110-E119 VanDerWaalsContact NE-CD 3.31Å; R110-E119 IonicContact NE-OE1 3.17Å; R110-E119 PolarHBondContact NE-OE1 3.15Å; R110-E119 IonicContact NE-OE2 3.84Å; R110-E119 VanDerWaalsContact NH2-CD 3.34Å; R110-E119 IonicContact NH2-OE1 2.89Å; R110-E119 PolarHBondContact NH2-OE1 3.35Å; R110-E119 IonicContact NH2-OE2 3.68Å; R110-E119 PolarHBondContact NH2-OE2 2.67Å
111	H	91	Very high	90.8	Very high	71 Å²	71	52.5 Å²	52.5	33%	0.329	30%	0.3	S	S	.	.	S	Bend	trans	-86.4	-23.8	175.3	-63.4	90.6	0	0	0	113.2	E93 F96 Y109 F120	E93-H111 IonicContact OE1-CD2 3.76Å; E93-H111 IonicContact OE1-CE1 3.89Å; E93-H111 IonicContact OE1-NE2 3.77Å; E93-H111 PolarHBondContact OE1-NE2 2.94Å; F96-H111 WeakPolarHBondContact CE2-O 3.07Å; Y109-H111 AromaticContact CE2-CE1 3.72Å; H111-F120 AromaticContact CE1-CD2 3.73Å; H111-F120 AromaticContact CE1-CE2 3.27Å; H111-F120 WeakPolarHBondContact CE1-CE2 3.34Å; H111-F120 AromaticContact CE1-CZ 3.64Å; H111-F120 AromaticContact ND1-CD2 3.77Å; H111-F120 AromaticContact ND1-CE2 3.15Å; H111-F120 WeakPolarHBondContact ND1-CE2 3.16Å; H111-F120 AromaticContact ND1-CZ 3.81Å
112	S	89.2	Confident	90.9	Very high	58 Å²	58	48 Å²	48	41%	0.406	28%	0.281	S	S	.	.			trans	-113.3	145	174	-177	0	0	0	0	110.2	R110 E114	R110-S112 WeakPolarHBondContact CB-O 3.41Å; S112-E114 PolarHBondContact OG-N 3.34Å; S112-E114 PolarHBondContact OG-O 2.93Å
113	A	83.1	Confident	90.8	Very high	32 Å²	32	50.4 Å²	50.4	26%	0.264	28%	0.282	S	S	.	.	S	Bend	trans	-74.4	-35.5	174	0	0	0	0	0	111.7	P80 F96	P80-A113 HydrophobicContact CB-CB 4.08Å; F96-A113 HydrophobicContact CD1-CB 4.22Å; F96-A113 HydrophobicContact CD2-CB 4.37Å; F96-A113 HydrophobicContact CE1-CB 3.88Å; F96-A113 HydrophobicContact CE2-CB 4.04Å; F96-A113 HydrophobicContact CG-CB 4.44Å; F96-A113 HydrophobicContact CZ-CB 3.76Å
114	E	83	Confident	90.7	Very high	151 Å²	151	53.3 Å²	53.3	71%	0.706	29%	0.293	S	S	*	.	S	Bend	trans	-107.1	136.3	-176.1	-66.3	178.1	-170	0	0	110.7	S112 S116	S112-E114 PolarHBondContact OG-N 3.34Å; S112-E114 PolarHBondContact OG-O 2.93Å; E114-S116 VanDerWaalsContact C-N 3.26Å; E114-S116 PolarHBondContact O-N 3.33Å
115	N	71.2	Confident	90.7	Very high	153 Å²	153	51.7 Å²	51.7	82%	0.818	28%	0.276	S	S	*	.			trans	49.2	36.6	166.2	-57.2	-42.1	0	0	0	116.1	T117	N115-T117 PolarHBondContact O-N 2.85Å; N115-T117 VanDerWaalsContact O-N 3.11Å
116	S	79.3	Confident	90.7	Very high	21 Å²	21	50 Å²	50	15%	0.147	27%	0.267	C	S	.	.			trans	-71.7	108.1	172.1	66.8	0	0	0	0	110	R110 E114 T118	R110-S116 WeakPolarHBondContact CD-OG 3.5Å; R110-S116 VanDerWaalsContact CG-OG 3.23Å; R110-S116 WeakPolarHBondContact CG-OG 3.37Å; R110-S116 PolarHBondContact NE-OG 3.19Å; R110-S116 PolarHBondContact NH1-OG 3.34Å; R110-S116 VanDerWaalsContact NH1-OG 3.07Å; E114-S116 VanDerWaalsContact C-N 3.26Å; E114-S116 PolarHBondContact O-N 3.33Å; S116-T118 PolarHBondContact O-N 3.39Å
117	T	87.6	Confident	90.6	Very high	83 Å²	83	54.1 Å²	54.1	51%	0.509	28%	0.281	S	S	.	.	S	Bend	trans	-60.5	-26.4	169.3	-47.5	0	0	0	0	111.7	G66 N115	G66-T117 PolarHBondContact N-O 3.01Å; N115-T117 PolarHBondContact O-N 2.85Å; N115-T117 VanDerWaalsContact O-N 3.11Å
118	T	92.6	Very high	90.5	Very high	50 Å²	50	57.5 Å²	57.5	31%	0.307	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.6	-176.6	-48.7	0	0	0	0	111.2	V63 I64 S116 F120	V63-T118 HydrophobicContact CG1-CG2 3.33Å; I64-T118 WeakPolarHBondContact O-CA 2.96Å; S116-T118 PolarHBondContact O-N 3.39Å; T118-F120 HydrophobicContact CG2-CE2 3.93Å; T118-F120 HydrophobicContact CG2-CZ 3.94Å
119	E	93.9	Very high	90.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.009	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.6	176.6	-175.7	155.1	-132.9	0	0	109.7	I64 T73 R98 F108 R110	I64-E119 PolarHBondContact N-O 3.1Å; I64-E119 PolarHBondContact O-N 3.44Å; T73-E119 WeakPolarHBondContact CG2-OE2 3.46Å; T73-E119 PolarHBondContact OG1-OE2 3.21Å; R98-E119 WeakPolarHBondContact CD-OE1 3.3Å; R98-E119 IonicContact CZ-OE1 3.75Å; R98-E119 IonicContact NE-OE1 3.52Å; R98-E119 IonicContact NH1-OE1 2.7Å; R98-E119 PolarHBondContact NH1-OE1 2.93Å; R98-E119 IonicContact NH1-OE2 3.42Å; R98-E119 PolarHBondContact NH1-OE2 3.41Å; F108-E119 HydrophobicContact CB-CG 3.78Å; F108-E119 WeakPolarHBondContact CB-OE1 3.45Å; F108-E119 HydrophobicContact CD1-CG 4.16Å; F108-E119 HydrophobicContact CG-CG 4.14Å; R110-E119 HydrophobicContact CG-CB 4.42Å; R110-E119 HydrophobicContact CG-CG 4.26Å; R110-E119 IonicContact CZ-OE1 2.93Å; R110-E119 IonicContact CZ-OE2 3.35Å; R110-E119 VanDerWaalsContact NE-CD 3.31Å; R110-E119 IonicContact NE-OE1 3.17Å; R110-E119 PolarHBondContact NE-OE1 3.15Å; R110-E119 IonicContact NE-OE2 3.84Å; R110-E119 VanDerWaalsContact NH2-CD 3.34Å; R110-E119 IonicContact NH2-OE1 2.89Å; R110-E119 PolarHBondContact NH2-OE1 3.35Å; R110-E119 IonicContact NH2-OE2 3.68Å; R110-E119 PolarHBondContact NH2-OE2 2.67Å
120	F	95.5	Very high	89.3	Confident	24 Å²	24	65.3 Å²	65.3	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.4	-177.5	-62.6	-95.8	0	0	0	109.8	A61 R62 V63 F108 Y109 H111 T118	A61-F120 HydrophobicContact CB-CB 4.31Å; R62-F120 CarbonylContact O-C 3.59Å; R62-F120 WeakPolarHBondContact O-CA 3.25Å; V63-F120 HydrophobicContact CB-CD1 4.47Å; V63-F120 HydrophobicContact CB-CE1 4.4Å; V63-F120 HydrophobicContact CG1-CD1 4.43Å; V63-F120 HydrophobicContact CG1-CE1 4.07Å; V63-F120 HydrophobicContact CG1-CZ 4.45Å; V63-F120 HydrophobicContact CG2-CD1 3.73Å; V63-F120 HydrophobicContact CG2-CE1 3.57Å; F108-F120 CarbonylContact C-O 3.46Å; F108-F120 WeakPolarHBondContact CA-O 3.32Å; Y109-F120 HydrophobicContact CD1-CB 3.82Å; Y109-F120 HydrophobicContact CD2-CB 3.91Å; Y109-F120 HydrophobicContact CD2-CD2 4.13Å; Y109-F120 HydrophobicContact CD2-CG 4.24Å; Y109-F120 HydrophobicContact CE1-CB 3.4Å; Y109-F120 HydrophobicContact CE1-CG 4.3Å; Y109-F120 HydrophobicContact CE2-CB 3.45Å; Y109-F120 VanDerWaalsContact CE2-CB 3.45Å; Y109-F120 HydrophobicContact CE2-CD1 4.27Å; Y109-F120 AromaticContact CE2-CD2 3.67Å; Y109-F120 HydrophobicContact CE2-CD2 3.67Å; Y109-F120 AromaticContact CE2-CG 3.53Å; Y109-F120 HydrophobicContact CE2-CG 3.53Å; Y109-F120 HydrophobicContact CG-CB 4.07Å; Y109-F120 AromaticContact CZ-CG 3.57Å; Y109-F120 PolarHBondContact N-O 3.42Å; Y109-F120 PolarHBondContact O-N 3.03Å; H111-F120 AromaticContact CE1-CD2 3.73Å; H111-F120 AromaticContact CE1-CE2 3.27Å; H111-F120 WeakPolarHBondContact CE1-CE2 3.34Å; H111-F120 AromaticContact CE1-CZ 3.64Å; H111-F120 AromaticContact ND1-CD2 3.77Å; H111-F120 AromaticContact ND1-CE2 3.15Å; H111-F120 WeakPolarHBondContact ND1-CE2 3.16Å; H111-F120 AromaticContact ND1-CZ 3.81Å; T118-F120 HydrophobicContact CG2-CE2 3.93Å; T118-F120 HydrophobicContact CG2-CZ 3.94Å
121	I	95.9	Very high	87.8	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124	174.6	-44.6	176.6	0	0	0	108.3	L44 V50 L53 A61 R62 I64 F108 L126	L44-I121 HydrophobicContact CD2-CD1 3.69Å; V50-I121 HydrophobicContact CG1-CD1 3.98Å; V50-I121 HydrophobicContact CG2-CD1 3.93Å; L53-I121 HydrophobicContact CD1-CD1 3.81Å; A61-I121 VanDerWaalsContact CA-O 3.28Å; A61-I121 WeakPolarHBondContact CA-O 3.49Å; A61-I121 VanDerWaalsContact CB-O 3.28Å; A61-I121 WeakPolarHBondContact CB-O 3.46Å; R62-I121 HydrophobicContact CB-CB 4.22Å; R62-I121 HydrophobicContact CB-CD1 4.13Å; R62-I121 HydrophobicContact CB-CG1 4.4Å; R62-I121 PolarHBondContact N-O 3.31Å; R62-I121 VanDerWaalsContact N-O 3.11Å; R62-I121 PolarHBondContact O-N 3.25Å; I64-I121 HydrophobicContact CD1-CD1 3.61Å; I64-I121 HydrophobicContact CD1-CG1 3.58Å; I64-I121 HydrophobicContact CG1-CD1 3.78Å; I64-I121 HydrophobicContact CG1-CG1 3.87Å; F108-I121 HydrophobicContact CD1-CB 4.38Å; F108-I121 HydrophobicContact CD1-CG1 4.07Å; F108-I121 HydrophobicContact CD1-CG2 4.43Å; F108-I121 HydrophobicContact CE1-CB 4.47Å; F108-I121 HydrophobicContact CE1-CG1 3.98Å; F108-I121 HydrophobicContact CE1-CG2 4.23Å; I121-L126 HydrophobicContact CG2-CD1 3.71Å; I121-L126 HydrophobicContact CG2-CG 4.2Å
122	M	94.8	Very high	85.9	Confident	34 Å²	34	76.7 Å²	76.7	17%	0.167	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-64.7	140.1	173.7	-65.8	-168.5	-179.2	0	0	110.9	R97 P106 I107 Y109 N124 A125	R97-M122 HydrophobicContact CG-CE 3.71Å; P106-M122 HydrophobicContact CB-CE 4.02Å; P106-M122 HydrophobicContact CB-SD 3.78Å; P106-M122 HydrophobicContact CG-SD 4.16Å; I107-M122 PolarHBondContact O-N 2.93Å; Y109-M122 HydrophobicContact CD1-CE 3.79Å; Y109-M122 HydrophobicContact CD1-CG 3.86Å; Y109-M122 HydrophobicContact CE1-CG 4.33Å; Y109-M122 HydrophobicContact CG-CE 4.31Å; M122-N124 PolarHBondContact O-N 3.45Å; M122-A125 HydrophobicContact CB-CB 4.01Å; M122-A125 WeakPolarHBondContact O-CB 3.5Å; M122-A125 PolarHBondContact O-N 3.16Å
123	K	93.2	Very high	83.6	Confident	123 Å²	123	76.7 Å²	76.7	54%	0.535	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	132.1	177.5	-173	-177.7	-173.5	171.1	0	109.9	D60 A125	D60-K123 HydrophobicContact CB-CD 3.83Å; D60-K123 IonicContact OD2-NZ 2.78Å; D60-K123 PolarHBondContact OD2-NZ 3.48Å; K123-A125 PolarHBondContact O-N 3.42Å; K123-A125 VanDerWaalsContact O-N 3.17Å
124	N	91.9	Very high	81.5	Confident	130 Å²	130	79.4 Å²	79.4	70%	0.695	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	13.3	177.7	-54.3	-16.3	0	0	0	115.9	M122 L126	M122-N124 PolarHBondContact O-N 3.45Å; N124-L126 VanDerWaalsContact C-N 3.34Å
125	A	93.4	Very high	79.8	Confident	5 Å²	5	78 Å²	78	4%	0.041	42%	0.422	C	S	.	.	S	Bend	trans	-77	-21.2	178.2	0	0	0	0	0	113.8	I107 M122 K123	I107-A125 HydrophobicContact CB-CB 4.43Å; I107-A125 HydrophobicContact CG2-CB 4.15Å; M122-A125 HydrophobicContact CB-CB 4.01Å; M122-A125 WeakPolarHBondContact O-CB 3.5Å; M122-A125 PolarHBondContact O-N 3.16Å; K123-A125 PolarHBondContact O-N 3.42Å; K123-A125 VanDerWaalsContact O-N 3.17Å
126	L	94.6	Very high	78.2	Confident	25 Å²	25	74.3 Å²	74.3	13%	0.131	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.1	-174	-66.1	179.3	0	0	0	111.8	Y35 S36 L44 I107 F108 I121 N124	Y35-L126 HydrophobicContact CD1-CB 4.24Å; S36-L126 CarbonylContact O-C 3.52Å; S36-L126 VanDerWaalsContact O-CA 3.28Å; S36-L126 WeakPolarHBondContact O-CA 3.08Å; L44-L126 HydrophobicContact CB-CD1 3.79Å; L44-L126 HydrophobicContact CD2-CD1 3.75Å; L44-L126 HydrophobicContact CG-CD1 4.45Å; I107-L126 HydrophobicContact CD1-CD2 4.35Å; I107-L126 HydrophobicContact CG2-CD1 4.12Å; I107-L126 HydrophobicContact CG2-CD2 3.54Å; I107-L126 HydrophobicContact CG2-CG 3.75Å; F108-L126 HydrophobicContact CE1-CD1 3.95Å; F108-L126 HydrophobicContact CZ-CD1 4Å; I121-L126 HydrophobicContact CG2-CD1 3.71Å; I121-L126 HydrophobicContact CG2-CG 4.2Å; N124-L126 VanDerWaalsContact C-N 3.34Å
127	K	93.8	Very high	76.6	Confident	122 Å²	122	77.3 Å²	77.3	53%	0.53	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.9	171.9	-64.9	-177.5	178	-179.1	0	109.4	Y35 S36 Q129	Y35-K127 CarbonylContact C-O 3.59Å; Y35-K127 VanDerWaalsContact CA-O 3.27Å; Y35-K127 WeakPolarHBondContact CA-O 3.45Å; S36-K127 PolarHBondContact N-O 3.21Å; S36-K127 PolarHBondContact O-N 2.96Å; K127-Q129 PolarHBondContact O-N 3.26Å
128	L	93.5	Very high	74.6	Confident	70 Å²	70	78 Å²	78	37%	0.366	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.4	171.7	-175.1	66.4	0	0	0	108.1	F33 Y35 L49	F33-L128 HydrophobicContact CB-CD1 4Å; F33-L128 HydrophobicContact CD1-CD1 4.06Å; Y35-L128 HydrophobicContact CD1-CB 4.28Å; Y35-L128 HydrophobicContact CD1-CD1 4.42Å; Y35-L128 HydrophobicContact CD2-CD1 4.5Å; Y35-L128 HydrophobicContact CE1-CB 3.85Å; Y35-L128 HydrophobicContact CE1-CD1 3.93Å; Y35-L128 HydrophobicContact CE1-CG 4.5Å; Y35-L128 HydrophobicContact CE2-CD1 4.03Å; L49-L128 HydrophobicContact CD2-CD2 4.14Å
129	Q	87.7	Confident	72.6	Confident	40 Å²	40	80.6 Å²	80.6	19%	0.187	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-84.4	118.9	172.2	-177.2	172.3	-17.7	0	0	107.6	V34 K127 A133	V34-Q129 HydrophobicContact CB-CB 4.35Å; V34-Q129 HydrophobicContact CG1-CB 4.25Å; V34-Q129 WeakPolarHBondContact O-CB 3.49Å; V34-Q129 PolarHBondContact O-N 3.44Å; K127-Q129 PolarHBondContact O-N 3.26Å; Q129-A133 PolarHBondContact NE2-O 3.08Å
130	D	76.6	Confident	70.4	Confident	127 Å²	127	87.8 Å²	87.8	68%	0.679	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-68.1	137.5	178	-63.7	-39.4	0	0	0	110.2	Q132 A133	D130-Q132 PolarHBondContact O-N 3.38Å; D130-A133 PolarHBondContact O-N 3.48Å
131	D	62.1	Low	68	Low	157 Å²	157	91.1 Å²	91.1	84%	0.84	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-3.3	-172.1	-65.4	-37.3	0	0	0	114.8	A133	D131-A133 VanDerWaalsContact C-N 3.3Å; D131-A133 PolarHBondContact O-N 3.45Å
132	Q	50.2	Low	65.6	Low	199 Å²	199	96.5 Å²	96.5	93%	0.93	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-8.9	175.5	-71.2	-158.1	54.8	0	0	114.4	D130	D130-Q132 PolarHBondContact O-N 3.38Å
133	A	41.5	Very low	63.1	Low	58 Å²	58	104.9 Å²	104.9	48%	0.479	59%	0.586	S	S	.	*	S	Bend	trans	-103.2	68.3	169.3	0	0	0	0	0	109.4	Q129 D130 D131 L135	Q129-A133 PolarHBondContact NE2-O 3.08Å; D130-A133 PolarHBondContact O-N 3.48Å; D131-A133 VanDerWaalsContact C-N 3.3Å; D131-A133 PolarHBondContact O-N 3.45Å; A133-L135 PolarHBondContact O-N 3.29Å; A133-L135 VanDerWaalsContact O-N 3.16Å
134	A	39.9	Very low	60.9	Low	88 Å²	88	109.2 Å²	109.2	73%	0.727	60%	0.599	S	S	*	*			trans	-42	123.9	169.6	0	0	0	0	0	109.2	S136	A134-S136 PolarHBondContact O-N 3.49Å
135	L	46.3	Very low	58.8	Low	122 Å²	122	109 Å²	109	64%	0.639	61%	0.605	S	S	*	*			trans	-39.6	96	-178.9	-69.6	151.9	0	0	0	110.5	M42 A133 A137	M42-L135 HydrophobicContact CE-CD2 3.91Å; M42-L135 HydrophobicContact SD-CD2 3.82Å; A133-L135 PolarHBondContact O-N 3.29Å; A133-L135 VanDerWaalsContact O-N 3.16Å; L135-A137 PolarHBondContact O-N 3.38Å; L135-A137 VanDerWaalsContact O-N 3.14Å
136	S	37.8	Very low	56.2	Low	75 Å²	75	115.4 Å²	115.4	52%	0.524	64%	0.644	S	S	.	*			trans	-63.6	122.9	172.9	59.9	0	0	0	0	106.4	A134 S138 M139	A134-S136 PolarHBondContact O-N 3.49Å; S136-S138 PolarHBondContact O-N 3.42Å; S136-M139 PolarHBondContact O-N 3.32Å; S136-M139 VanDerWaalsContact O-N 3.15Å
137	A	45.6	Very low	53.6	Low	85 Å²	85	119.1 Å²	119.1	70%	0.702	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-53.4	-9.5	-177.8	0	0	0	0	0	113.8	L135 M139	L135-A137 PolarHBondContact O-N 3.38Å; L135-A137 VanDerWaalsContact O-N 3.14Å; A137-M139 VanDerWaalsContact C-N 3.31Å; A137-M139 PolarHBondContact O-N 3.01Å
138	S	46.1	Very low	51.1	Low	97 Å²	97	118.2 Å²	118.2	68%	0.678	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-63.9	-21.2	173.9	-164.3	0	0	0	0	115.1	S136	S136-S138 PolarHBondContact O-N 3.42Å
139	M	51.3	Low	48.4	Very low	104 Å²	104	124.8 Å²	124.8	51%	0.512	72%	0.719	S	S	.	*	G	3₁₀ helix	trans	-83.5	-7.4	-176.5	-70.6	-132.5	-154.3	0	0	116	M42 S136 A137	M42-M139 HydrophobicContact SD-SD 4.44Å; S136-M139 PolarHBondContact O-N 3.32Å; S136-M139 VanDerWaalsContact O-N 3.15Å; A137-M139 VanDerWaalsContact C-N 3.31Å; A137-M139 PolarHBondContact O-N 3.01Å
140	L	47.2	Very low	46.1	Very low	154 Å²	154	130.8 Å²	130.8	81%	0.806	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-90.3	-0.3	178.5	-80.6	140.5	0	0	0	113.9
141	C	44.1	Very low	44.4	Very low	94 Å²	94	131.8 Å²	131.8	64%	0.635	75%	0.751	S	S	*	*	S	Bend	trans	-87	122.6	177.7	-67.4	0	0	0	0	111.3	K143	C141-K143 PolarHBondContact O-N 3.49Å
142	P	45	Very low	43.6	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	74%	0.74	S	S	*	*			trans	-66.3	109.9	172.1	26.3	-30.3	0	0	0	109	R144	P142-R144 PolarHBondContact O-N 2.74Å
143	K	43.5	Very low	43.9	Very low	210 Å²	210	128.5 Å²	128.5	91%	0.913	73%	0.734	S	S	*	*			trans	-59.6	100.6	164.7	-72.7	-172.3	176.9	-178.1	0	107.9	C141	C141-K143 PolarHBondContact O-N 3.49Å
144	R	45.7	Very low	44.7	Very low	214 Å²	214	129.8 Å²	129.8	81%	0.808	74%	0.739	S	S	*	*			trans	-62.9	142.6	169.4	-85.5	-177.8	175.9	-178.4	-2.6	108.9	P142 T146	P142-R144 PolarHBondContact O-N 2.74Å; R144-T146 PolarHBondContact O-N 3.3Å
145	P	48.6	Very low	45.9	Very low	126 Å²	126	128.6 Å²	128.6	82%	0.818	73%	0.726	S	S	*	*			trans	-62.3	125.3	177.9	25.2	-31.8	0	0	0	110.1	A147	P145-A147 PolarHBondContact O-N 2.94Å
146	T	38.9	Very low	46.9	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	72%	0.721	S	S	*	*			trans	-65.3	115.8	169.2	49.1	0	0	0	0	109.5	R144	R144-T146 PolarHBondContact O-N 3.3Å
147	A	39.7	Very low	48.4	Very low	103 Å²	103	127.1 Å²	127.1	85%	0.851	72%	0.721	S	S	*	*			trans	160	82.9	140.9	0	0	0	0	0	111.1	P145	P145-A147 PolarHBondContact O-N 2.94Å
148	A	41.4	Very low	49.6	Very low	102 Å²	102	125.8 Å²	125.8	84%	0.843	71%	0.711	S	S	*	*			trans	-138.7	102.8	146.7	0	0	0	0	0	106.4	H150	A148-H150 PolarHBondContact O-N 3.05Å
149	K	36.3	Very low	51	Low	209 Å²	209	129.9 Å²	129.9	91%	0.909	71%	0.711	S	S	*	*			trans	-65.4	99.3	173.5	-76.4	173.6	172	177.5	0	107.9
150	H	39.8	Very low	52.1	Low	165 Å²	165	130 Å²	130	76%	0.764	71%	0.713	S	S	*	*			trans	-132.8	107.5	147.8	-128.3	-84.6	0	0	0	106.8	A148 D152	A148-H150 PolarHBondContact O-N 3.05Å; H150-D152 IonicContact ND1-OD2 3.39Å
151	I	41.7	Very low	53.5	Low	149 Å²	149	128.9 Å²	128.9	76%	0.764	71%	0.707	S	S	*	*			trans	-56.1	151.6	160.1	-41.1	171	0	0	0	105.3
152	D	45.1	Very low	54.9	Low	115 Å²	115	131.6 Å²	131.6	62%	0.615	71%	0.711	S	S	*	*	S	Bend	trans	131.9	110.4	164.8	-57.1	-21.4	0	0	0	111.8	H150 S154	H150-D152 IonicContact ND1-OD2 3.39Å; D152-S154 PolarHBondContact O-N 3.42Å; D152-S154 PolarHBondContact O-OG 2.95Å
153	E	55.6	Low	56.3	Low	172 Å²	172	128.3 Å²	128.3	80%	0.804	69%	0.694	S	S	*	*	S	Bend	trans	44.6	-34.1	168.2	-59.5	-159.2	148.4	0	0	121.5	S155 A156	E153-S155 PolarHBondContact O-N 3.17Å; E153-A156 PolarHBondContact O-N 3.23Å; E153-A156 VanDerWaalsContact O-N 3.16Å
154	S	58.6	Low	57.8	Low	84 Å²	84	122.7 Å²	122.7	59%	0.587	67%	0.673	S	S	*	*	H	α-helix	trans	-61.1	-27.9	179	67.1	0	0	0	0	113.2	D152 A156 A158	D152-S154 PolarHBondContact O-N 3.42Å; D152-S154 PolarHBondContact O-OG 2.95Å; S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 3.08Å; S154-A158 WeakPolarHBondContact O-CB 3.41Å; S154-A158 PolarHBondContact O-N 3.46Å
155	S	65.7	Low	59.2	Low	64 Å²	64	115.4 Å²	115.4	45%	0.448	66%	0.659	S	S	.	*	H	α-helix	trans	-66.7	-31	177	174.1	0	0	0	0	113.3	E153 R159	E153-S155 PolarHBondContact O-N 3.17Å; S155-R159 VanDerWaalsContact O-CG 3.28Å; S155-R159 WeakPolarHBondContact O-CG 3.43Å; S155-R159 PolarHBondContact O-N 3Å
156	A	67.8	Low	60.4	Low	65 Å²	65	112.4 Å²	112.4	54%	0.537	64%	0.644	S	S	.	*	H	α-helix	trans	-76.1	-45.2	-179.7	0	0	0	0	0	110.4	E153 S154 A158 R159 L160	E153-A156 PolarHBondContact O-N 3.23Å; E153-A156 VanDerWaalsContact O-N 3.16Å; S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 3.08Å; A156-A158 VanDerWaalsContact C-N 3.32Å; A156-A158 PolarHBondContact O-N 3.01Å; A156-R159 PolarHBondContact O-N 3.43Å; A156-L160 PolarHBondContact O-N 3Å
157	N	68.7	Low	62.1	Low	100 Å²	100	111.7 Å²	111.7	54%	0.535	63%	0.631	S	S	.	*	H	α-helix	trans	-62.2	-38.9	176.1	-66.7	-31	0	0	0	111.9	L160 L161	N157-L160 PolarHBondContact O-N 2.95Å; N157-L161 PolarHBondContact O-N 3.12Å
158	A	70.3	Confident	63.4	Low	58 Å²	58	109.1 Å²	109.1	48%	0.479	61%	0.61	S	S	.	*	H	α-helix	trans	-64.2	-43.8	176.1	0	0	0	0	0	112.2	S154 A156 L161 E162	S154-A158 WeakPolarHBondContact O-CB 3.41Å; S154-A158 PolarHBondContact O-N 3.46Å; A156-A158 VanDerWaalsContact C-N 3.32Å; A156-A158 PolarHBondContact O-N 3.01Å; A158-L161 PolarHBondContact O-N 2.98Å; A158-E162 PolarHBondContact O-N 3.16Å; A158-E162 VanDerWaalsContact O-N 3.08Å
159	R	75.2	Confident	64.8	Low	183 Å²	183	106.1 Å²	106.1	69%	0.691	59%	0.586	S	S	*	*	H	α-helix	trans	-64.9	-38.2	176.5	-74.2	176.4	-178.6	-174.6	0.9	112.4	S155 A156 E162 A163	S155-R159 VanDerWaalsContact O-CG 3.28Å; S155-R159 WeakPolarHBondContact O-CG 3.43Å; S155-R159 PolarHBondContact O-N 3Å; A156-R159 PolarHBondContact O-N 3.43Å; R159-E162 PolarHBondContact O-N 3.25Å; R159-A163 WeakPolarHBondContact O-CB 3.37Å; R159-A163 PolarHBondContact O-N 3.45Å
160	L	76	Confident	66.3	Low	105 Å²	105	98.9 Å²	98.9	55%	0.55	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-42.2	175.9	-173.8	68.9	0	0	0	111.5	A156 N157 E162 A163 L164	A156-L160 PolarHBondContact O-N 3Å; N157-L160 PolarHBondContact O-N 2.95Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.05Å; L160-A163 PolarHBondContact O-N 3.31Å; L160-L164 HydrophobicContact CG-CD1 4.1Å; L160-L164 WeakPolarHBondContact O-CB 3.44Å; L160-L164 WeakPolarHBondContact O-CG 3.27Å; L160-L164 PolarHBondContact O-N 3.41Å
161	L	76	Confident	67.4	Low	131 Å²	131	95.2 Å²	95.2	69%	0.686	55%	0.55	S	S	*	*	H	α-helix	trans	-62.6	-39.4	177.2	-136.7	91.7	0	0	0	111.8	N157 A158 A165	N157-L161 PolarHBondContact O-N 3.12Å; A158-L161 PolarHBondContact O-N 2.98Å; L161-A165 WeakPolarHBondContact O-CB 3.48Å; L161-A165 PolarHBondContact O-N 3.03Å
162	E	74.4	Confident	68.4	Low	151 Å²	151	94.4 Å²	94.4	71%	0.706	54%	0.543	S	S	*	.	H	α-helix	trans	-71.5	-37.2	178.7	-167.8	148.6	-162.5	0	0	112.1	A158 R159 L160 A165 A166	A158-E162 PolarHBondContact O-N 3.16Å; A158-E162 VanDerWaalsContact O-N 3.08Å; R159-E162 PolarHBondContact O-N 3.25Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.05Å; E162-A165 PolarHBondContact O-N 3.17Å; E162-A166 WeakPolarHBondContact O-CB 3.34Å; E162-A166 PolarHBondContact O-N 3.36Å
163	A	73.2	Confident	69	Low	49 Å²	49	95.6 Å²	95.6	41%	0.405	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-46.7	171.6	0	0	0	0	0	111.9	R159 L160 A165 A166 E167	R159-A163 WeakPolarHBondContact O-CB 3.37Å; R159-A163 PolarHBondContact O-N 3.45Å; L160-A163 PolarHBondContact O-N 3.31Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.47Å; A163-A166 WeakPolarHBondContact O-CB 3.47Å; A163-A166 PolarHBondContact O-N 3.38Å; A163-E167 PolarHBondContact O-N 3.17Å
164	L	76	Confident	69	Low	92 Å²	92	90.1 Å²	90.1	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-38.4	177.2	-73.7	166.9	0	0	0	112.3	L160 A166 E167 A168	L160-L164 HydrophobicContact CG-CD1 4.1Å; L160-L164 WeakPolarHBondContact O-CB 3.44Å; L160-L164 WeakPolarHBondContact O-CG 3.27Å; L160-L164 PolarHBondContact O-N 3.41Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-E167 PolarHBondContact O-N 3.42Å; L164-A168 WeakPolarHBondContact O-CB 3.23Å; L164-A168 PolarHBondContact O-N 3.02Å
165	A	74.3	Confident	68.8	Low	61 Å²	61	93.4 Å²	93.4	50%	0.504	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-35.8	175.3	0	0	0	0	0	112.2	L161 E162 A163 A169	L161-A165 WeakPolarHBondContact O-CB 3.48Å; L161-A165 PolarHBondContact O-N 3.03Å; E162-A165 PolarHBondContact O-N 3.17Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.47Å; A165-A169 WeakPolarHBondContact O-CB 3.28Å; A165-A169 PolarHBondContact O-N 3.25Å
166	A	73.6	Confident	68.1	Low	62 Å²	62	94.7 Å²	94.7	51%	0.512	55%	0.546	S	S	.	.	H	α-helix	trans	-67.5	-40.5	175.2	0	0	0	0	0	112.1	E162 A163 L164 A169 A170	E162-A166 WeakPolarHBondContact O-CB 3.34Å; E162-A166 PolarHBondContact O-N 3.36Å; A163-A166 WeakPolarHBondContact O-CB 3.47Å; A163-A166 PolarHBondContact O-N 3.38Å; L164-A166 VanDerWaalsContact C-N 3.34Å; A166-A169 PolarHBondContact O-N 2.74Å; A166-A170 PolarHBondContact O-N 3.18Å
167	E	74.2	Confident	67.2	Low	125 Å²	125	95.6 Å²	95.6	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-64.2	-43.6	174.2	-72.9	179.2	174.7	0	0	111.9	A163 L164 A169 A170 L171	A163-E167 PolarHBondContact O-N 3.17Å; L164-E167 PolarHBondContact O-N 3.42Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 3.17Å; E167-A170 PolarHBondContact O-N 3.09Å; E167-L171 PolarHBondContact O-N 3.48Å; E167-L171 VanDerWaalsContact O-N 3.09Å
168	A	67.7	Low	66	Low	49 Å²	49	96.9 Å²	96.9	41%	0.405	56%	0.555	S	S	.	*	H	α-helix	trans	-61.1	-38.3	175.4	0	0	0	0	0	112.5	L164 Q172	L164-A168 WeakPolarHBondContact O-CB 3.23Å; L164-A168 PolarHBondContact O-N 3.02Å; A168-Q172 WeakPolarHBondContact O-CG 3.49Å; A168-Q172 PolarHBondContact O-N 3.07Å
169	A	70.7	Confident	64.8	Low	40 Å²	40	101.7 Å²	101.7	33%	0.331	57%	0.573	S	S	.	*	H	α-helix	trans	-70.6	-32	176.3	0	0	0	0	0	112.9	A165 A166 E167 Q173	A165-A169 WeakPolarHBondContact O-CB 3.28Å; A165-A169 PolarHBondContact O-N 3.25Å; A166-A169 PolarHBondContact O-N 2.74Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 3.17Å; A169-Q173 WeakPolarHBondContact O-CG 3.37Å; A169-Q173 PolarHBondContact O-N 3.16Å; A169-Q173 PolarHBondContact O-NE2 3.32Å
170	A	67	Low	63.7	Low	56 Å²	56	96.9 Å²	96.9	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-69	-41.1	176	0	0	0	0	0	111.7	A166 E167 Q173 S174	A166-A170 PolarHBondContact O-N 3.18Å; E167-A170 PolarHBondContact O-N 3.09Å; A170-Q173 WeakPolarHBondContact O-CB 3.18Å; A170-Q173 PolarHBondContact O-N 3.37Å; A170-S174 PolarHBondContact O-N 3.05Å; A170-S174 VanDerWaalsContact O-N 3.16Å
171	L	63.7	Low	62.4	Low	89 Å²	89	96.7 Å²	96.7	47%	0.466	58%	0.577	S	S	.	*	H	α-helix	trans	-65.4	-40	176.9	-69.9	170.1	0	0	0	112.4	E167 Q173 S174 E175	E167-L171 PolarHBondContact O-N 3.48Å; E167-L171 VanDerWaalsContact O-N 3.09Å; L171-Q173 PolarHBondContact O-N 2.89Å; L171-S174 WeakPolarHBondContact CA-OG 3.29Å; L171-S174 PolarHBondContact O-N 3.11Å; L171-S174 VanDerWaalsContact O-N 3.17Å; L171-S174 PolarHBondContact O-OG 3.27Å; L171-E175 PolarHBondContact O-N 3.02Å; L171-E175 VanDerWaalsContact O-N 3.07Å
172	Q	62.3	Low	61.3	Low	132 Å²	132	97.4 Å²	97.4	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-63.4	-30.5	174	-72.9	178.2	1.2	0	0	112.8	A168 A176	A168-Q172 WeakPolarHBondContact O-CG 3.49Å; A168-Q172 PolarHBondContact O-N 3.07Å; Q172-A176 PolarHBondContact O-N 3.3Å; Q172-A176 VanDerWaalsContact O-N 3.17Å
173	Q	58.4	Low	60.3	Low	140 Å²	140	99.8 Å²	99.8	65%	0.654	58%	0.584	S	S	*	*	H	α-helix	trans	-73.2	-34.1	175.4	-74.3	172.8	41.3	0	0	112.1	A169 A170 L171 A176 S177	A169-Q173 WeakPolarHBondContact O-CG 3.37Å; A169-Q173 PolarHBondContact O-N 3.16Å; A169-Q173 PolarHBondContact O-NE2 3.32Å; A170-Q173 WeakPolarHBondContact O-CB 3.18Å; A170-Q173 PolarHBondContact O-N 3.37Å; L171-Q173 PolarHBondContact O-N 2.89Å; Q173-A176 PolarHBondContact O-N 2.89Å; Q173-S177 PolarHBondContact O-N 3.05Å
174	S	55.7	Low	59.3	Low	56 Å²	56	107.5 Å²	107.5	39%	0.392	60%	0.602	S	S	.	*	H	α-helix	trans	-69.8	-32.5	172.8	48	0	0	0	0	113.1	A170 L171 S177	A170-S174 PolarHBondContact O-N 3.05Å; A170-S174 VanDerWaalsContact O-N 3.16Å; L171-S174 WeakPolarHBondContact CA-OG 3.29Å; L171-S174 PolarHBondContact O-N 3.11Å; L171-S174 VanDerWaalsContact O-N 3.17Å; L171-S174 PolarHBondContact O-OG 3.27Å; S174-S177 PolarHBondContact O-OG 3.33Å
175	E	53.8	Low	58.2	Low	154 Å²	154	107.8 Å²	107.8	72%	0.72	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-29.9	174.2	-71.2	-178.2	172.2	0	0	112.5	L171	L171-E175 PolarHBondContact O-N 3.02Å; L171-E175 VanDerWaalsContact O-N 3.07Å
176	A	52.3	Low	57.3	Low	90 Å²	90	108.3 Å²	108.3	74%	0.744	61%	0.609	S	S	*	*	H	α-helix	trans	-79.5	-20.5	178.1	0	0	0	0	0	113.9	Q172 Q173	Q172-A176 PolarHBondContact O-N 3.3Å; Q172-A176 VanDerWaalsContact O-N 3.17Å; Q173-A176 PolarHBondContact O-N 2.89Å
177	S	46.9	Very low	56.5	Low	85 Å²	85	111.5 Å²	111.5	59%	0.594	61%	0.613	S	S	*	*	H	α-helix	trans	-93.6	-10.4	-178.9	74.6	0	0	0	0	114.7	Q173 S174	Q173-S177 PolarHBondContact O-N 3.05Å; S174-S177 PolarHBondContact O-OG 3.33Å
178	N	44.6	Very low	55.8	Low	126 Å²	126	109.3 Å²	109.3	67%	0.674	60%	0.603	S	S	*	*	S	Bend	trans	-92.6	106.3	172.5	-76.4	-24.9	0	0	0	109.1	A180	N178-A180 PolarHBondContact O-N 2.76Å
179	N	44.9	Very low	55.4	Low	160 Å²	160	114.3 Å²	114.3	86%	0.856	62%	0.618	S	S	*	*			trans	-41.4	114.3	170.9	-76.4	-60.5	0	0	0	110.1
180	A	51.5	Low	55	Low	82 Å²	82	115.8 Å²	115.8	68%	0.678	62%	0.618	S	S	*	*			trans	-47.9	126.5	178.1	0	0	0	0	0	110.1	N178 L182	N178-A180 PolarHBondContact O-N 2.76Å; A180-L182 PolarHBondContact O-N 3.27Å
181	P	49.3	Very low	54.7	Low	101 Å²	101	116.9 Å²	116.9	66%	0.656	62%	0.619	S	S	*	*			trans	-62.2	126.4	-174.2	21.5	-30	0	0	0	110.2	R183	P181-R183 PolarHBondContact O-N 3.37Å
182	L	53.4	Low	54.5	Low	146 Å²	146	115.9 Å²	115.9	76%	0.764	62%	0.617	S	S	*	*			trans	-60.1	105	170.3	-100.1	84.8	0	0	0	108.4	A180 R184	A180-L182 PolarHBondContact O-N 3.27Å; L182-R184 PolarHBondContact O-N 2.86Å
183	R	53.5	Low	54.6	Low	200 Å²	200	119.3 Å²	119.3	76%	0.755	63%	0.633	S	S	*	*			trans	-60.4	111.4	171.2	-84.1	-159.3	162.2	177.5	-3	110.2	P181 E210	P181-R183 PolarHBondContact O-N 3.37Å; R183-E210 IonicContact NH2-OE2 3.11Å
184	R	50.9	Low	55	Low	211 Å²	211	115.9 Å²	115.9	80%	0.796	64%	0.635	S	S	*	*			trans	-113.2	92.4	171.6	-75	-176	-174.7	171.3	3.9	109.3	L182	L182-R184 PolarHBondContact O-N 2.86Å
185	S	54.5	Low	55.6	Low	99 Å²	99	118.7 Å²	118.7	69%	0.692	65%	0.645	S	S	*	*			trans	-78.9	123.5	168.7	61.1	0	0	0	0	110.2
186	V	53.8	Low	55.9	Low	72 Å²	72	117.3 Å²	117.3	44%	0.436	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	114.1	174.1	-179.7	0	0	0	0	109.2	Q188	V186-Q188 HydrophobicContact CG1-CG 4.4Å
187	Q	58	Low	56.3	Low	129 Å²	129	116.3 Å²	116.3	60%	0.603	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.5	119.6	170.3	-64.2	-174.7	-7.6	0	0	109.3	T200	Q187-T200 HydrophobicContact CG-CG2 4.35Å
188	Q	59.2	Low	57.1	Low	79 Å²	79	115.7 Å²	115.7	37%	0.369	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	119	168.5	-72.6	-171.3	25.3	0	0	109.1	V186 V199	V186-Q188 HydrophobicContact CG1-CG 4.4Å; Q188-V199 PolarHBondContact N-O 3.39Å; Q188-V199 PolarHBondContact O-N 2.88Å; Q188-V199 VanDerWaalsContact O-N 3.13Å
189	Q	58.9	Low	58	Low	154 Å²	154	113.9 Å²	113.9	72%	0.72	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.7	122.8	165.6	-74.2	179.6	-18.5	0	0	108.4
190	E	62.6	Low	58.6	Low	71 Å²	71	110.8 Å²	110.8	33%	0.332	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.7	120.6	171.8	-173.6	164.6	177.8	0	0	108.7	R8 T192 T197	R8-E190 IonicContact CZ-OE1 2.86Å; R8-E190 IonicContact NH1-OE1 3.84Å; R8-E190 PolarHBondContact NH1-OE1 3.14Å; R8-E190 IonicContact NH2-OE1 3.75Å; R8-E190 PolarHBondContact NH2-OE1 3.16Å; E190-T192 HydrophobicContact CG-CG2 4.29Å; E190-T197 PolarHBondContact N-O 3.49Å; E190-T197 PolarHBondContact O-N 3.48Å; E190-T197 PolarHBondContact O-OG1 3.22Å
191	T	61	Low	58.9	Low	79 Å²	79	111.4 Å²	111.4	49%	0.485	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	115.8	173.8	-48.2	0	0	0	0	108.7	D196	T191-D196 WeakPolarHBondContact CB-OD1 3.27Å; T191-D196 WeakPolarHBondContact CG2-OD1 3.44Å; T191-D196 PolarHBondContact OG1-OD1 3.05Å
192	T	59.1	Low	59.3	Low	68 Å²	68	110.3 Å²	110.3	42%	0.417	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	125	168.5	52.6	0	0	0	0	108.5	E190 G194 I195	E190-T192 HydrophobicContact CG-CG2 4.29Å; T192-G194 VanDerWaalsContact C-N 3.26Å; T192-G194 PolarHBondContact O-N 3.15Å; T192-G194 VanDerWaalsContact O-N 3.1Å; T192-I195 PolarHBondContact N-O 3.35Å; T192-I195 PolarHBondContact O-N 2.77Å
193	Q	65.1	Low	59.7	Low	203 Å²	203	106.8 Å²	106.8	95%	0.949	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.5	32.2	176.5	-55.7	-175	2.9	0	0	116
194	G	65.6	Low	60.4	Low	68 Å²	68	103.7 Å²	103.7	70%	0.701	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.5	8.7	176	0	0	0	0	0	115.2	T192	T192-G194 VanDerWaalsContact C-N 3.26Å; T192-G194 PolarHBondContact O-N 3.15Å; T192-G194 VanDerWaalsContact O-N 3.1Å
195	I	70.1	Confident	61.1	Low	116 Å²	116	100.4 Å²	100.4	60%	0.595	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.7	119.4	170.4	-56.1	173.3	0	0	0	107.5	T192 T197	T192-I195 PolarHBondContact N-O 3.35Å; T192-I195 PolarHBondContact O-N 2.77Å; I195-T197 HydrophobicContact CG2-CG2 4.14Å; I195-T197 PolarHBondContact O-N 2.8Å
196	D	60	Low	61.6	Low	125 Å²	125	98.8 Å²	98.8	67%	0.668	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.3	102.1	174.2	-68.2	-31.5	0	0	0	108.9	T191	T191-D196 WeakPolarHBondContact CB-OD1 3.27Å; T191-D196 WeakPolarHBondContact CG2-OD1 3.44Å; T191-D196 PolarHBondContact OG1-OD1 3.05Å
197	T	60	Low	62.4	Low	68 Å²	68	101.3 Å²	101.3	42%	0.417	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	121.6	170.1	51.6	0	0	0	0	109.4	E190 I195	E190-T197 PolarHBondContact N-O 3.49Å; E190-T197 PolarHBondContact O-N 3.48Å; E190-T197 PolarHBondContact O-OG1 3.22Å; I195-T197 HydrophobicContact CG2-CG2 4.14Å; I195-T197 PolarHBondContact O-N 2.8Å
198	A	62.9	Low	63.3	Low	73 Å²	73	100.9 Å²	100.9	60%	0.603	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.8	119.1	169.2	0	0	0	0	0	108.8
199	V	64.1	Low	64	Low	87 Å²	87	102.7 Å²	102.7	53%	0.527	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.1	113.1	172.7	178.3	0	0	0	0	107.4	Q188 V201	Q188-V199 PolarHBondContact N-O 3.39Å; Q188-V199 PolarHBondContact O-N 2.88Å; Q188-V199 VanDerWaalsContact O-N 3.13Å; V199-V201 HydrophobicContact CG1-CG2 4.14Å
200	T	58.4	Low	64.9	Low	96 Å²	96	101.5 Å²	101.5	59%	0.589	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.1	111.4	171.1	49.9	0	0	0	0	108.1	Q187	Q187-T200 HydrophobicContact CG-CG2 4.35Å
201	V	57.4	Low	65.7	Low	94 Å²	94	100.9 Å²	100.9	57%	0.57	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.1	99.5	172.1	-176.3	0	0	0	0	106.9	V199	V199-V201 HydrophobicContact CG1-CG2 4.14Å
202	S	57.3	Low	66.6	Low	79 Å²	79	102.1 Å²	102.1	55%	0.552	57%	0.571	S	S	*	*			trans	-75.8	140.6	161.6	-57.7	0	0	0	0	108.1
203	T	61.1	Low	67.7	Low	72 Å²	72	101.6 Å²	101.6	44%	0.442	57%	0.574	S	S	.	*			trans	-68.7	128.5	173.7	32.1	0	0	0	0	108.8	E205 D206	T203-E205 PolarHBondContact O-N 3.45Å; T203-E205 VanDerWaalsContact O-N 3.15Å; T203-D206 PolarHBondContact O-N 3.25Å; T203-D206 PolarHBondContact OG1-OD1 3.01Å; T203-D206 PolarHBondContact OG1-OD2 3.35Å
204	I	68.1	Low	68.7	Low	134 Å²	134	98.7 Å²	98.7	69%	0.687	56%	0.558	S	S	*	*	H	α-helix	trans	-59.9	-26.2	-178.2	-151.3	163.7	0	0	0	112	E207 E208	I204-E207 PolarHBondContact O-N 2.99Å; I204-E208 PolarHBondContact O-N 3.27Å; I204-E208 VanDerWaalsContact O-N 3.11Å
205	E	65.5	Low	69.5	Low	142 Å²	142	102.4 Å²	102.4	66%	0.664	56%	0.557	S	S	*	*	H	α-helix	trans	-65	-36	176.9	-63.8	172.2	174.7	0	0	111.9	T203 E208 E209	T203-E205 PolarHBondContact O-N 3.45Å; T203-E205 VanDerWaalsContact O-N 3.15Å; E205-E208 PolarHBondContact O-N 3.19Å; E205-E209 WeakPolarHBondContact O-CB 3Å; E205-E209 PolarHBondContact O-N 3.24Å
206	D	65.3	Low	70.1	Confident	65 Å²	65	101.4 Å²	101.4	35%	0.348	55%	0.552	S	S	.	*	H	α-helix	trans	-72.1	-34.7	178.8	-67.5	34	0	0	0	111.4	T203 E210	T203-D206 PolarHBondContact O-N 3.25Å; T203-D206 PolarHBondContact OG1-OD1 3.01Å; T203-D206 PolarHBondContact OG1-OD2 3.35Å; D206-E210 WeakPolarHBondContact O-CB 3.47Å; D206-E210 PolarHBondContact O-N 2.94Å
207	E	70.3	Confident	71.2	Confident	125 Å²	125	98 Å²	98	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-71.9	-34.6	176.5	-72.2	-176.2	174.8	0	0	111.6	I204 A211	I204-E207 PolarHBondContact O-N 2.99Å; E207-A211 WeakPolarHBondContact O-CB 3.23Å; E207-A211 PolarHBondContact O-N 3.28Å; E207-A211 VanDerWaalsContact O-N 3.09Å
208	E	77.4	Confident	72.4	Confident	120 Å²	120	99.4 Å²	99.4	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-68.4	-47.8	174.6	-169.4	169.2	-163.1	0	0	111.2	I204 E205 E210 A211 E212	I204-E208 PolarHBondContact O-N 3.27Å; I204-E208 VanDerWaalsContact O-N 3.11Å; E205-E208 PolarHBondContact O-N 3.19Å; E208-E210 PolarHBondContact O-N 3.05Å; E208-A211 WeakPolarHBondContact O-CB 3.03Å; E208-A211 PolarHBondContact O-N 3.11Å; E208-A211 VanDerWaalsContact O-N 3.17Å; E208-E212 WeakPolarHBondContact O-CG 3.49Å; E208-E212 PolarHBondContact O-N 3.3Å
209	E	75.1	Confident	73.5	Confident	118 Å²	118	98.9 Å²	98.9	55%	0.551	54%	0.539	S	S	*	.	H	α-helix	trans	-63.1	-38.9	177.3	-172.1	178.2	-167.8	0	0	112.3	E205 A211 E212 A213	E205-E209 WeakPolarHBondContact O-CB 3Å; E205-E209 PolarHBondContact O-N 3.24Å; E209-A211 VanDerWaalsContact C-N 3.34Å; E209-E212 PolarHBondContact O-N 3.1Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 2.9Å
210	E	76.2	Confident	74.6	Confident	128 Å²	128	101.5 Å²	101.5	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-67.4	-35.4	175.8	-172.8	169.7	167.1	0	0	111.9	R183 D206 E208 K214	R183-E210 IonicContact NH2-OE2 3.11Å; D206-E210 WeakPolarHBondContact O-CB 3.47Å; D206-E210 PolarHBondContact O-N 2.94Å; E208-E210 PolarHBondContact O-N 3.05Å; E210-K214 WeakPolarHBondContact O-CB 3.34Å; E210-K214 PolarHBondContact O-N 3.19Å; E210-K214 VanDerWaalsContact O-N 3.1Å
211	A	79.4	Confident	76	Confident	59 Å²	59	99 Å²	99	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-67.4	-42.7	173.9	0	0	0	0	0	111.8	E207 E208 E209 K214 E215	E207-A211 WeakPolarHBondContact O-CB 3.23Å; E207-A211 PolarHBondContact O-N 3.28Å; E207-A211 VanDerWaalsContact O-N 3.09Å; E208-A211 WeakPolarHBondContact O-CB 3.03Å; E208-A211 PolarHBondContact O-N 3.11Å; E208-A211 VanDerWaalsContact O-N 3.17Å; E209-A211 VanDerWaalsContact C-N 3.34Å; A211-K214 PolarHBondContact O-N 2.82Å; A211-E215 PolarHBondContact O-N 3.19Å
212	E	81	Confident	77.5	Confident	104 Å²	104	96.4 Å²	96.4	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-46.8	175.5	-72.3	-178.5	-171.1	0	0	111.7	E208 E209 K214 E215 I216	E208-E212 WeakPolarHBondContact O-CG 3.49Å; E208-E212 PolarHBondContact O-N 3.3Å; E209-E212 PolarHBondContact O-N 3.1Å; E212-K214 VanDerWaalsContact C-N 3.26Å; E212-K214 PolarHBondContact O-N 3.33Å; E212-E215 PolarHBondContact O-N 3.39Å; E212-E215 VanDerWaalsContact O-N 3.16Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.33Å; E212-I216 PolarHBondContact O-N 2.86Å
213	A	81.5	Confident	78.8	Confident	58 Å²	58	96.7 Å²	96.7	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-60.4	-37.9	177.9	0	0	0	0	0	112	E209 A217	E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 2.9Å; A213-A217 WeakPolarHBondContact O-CB 3.33Å; A213-A217 PolarHBondContact O-N 3.01Å
214	K	85.8	Confident	79.9	Confident	142 Å²	142	96 Å²	96	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-67.4	-43.3	175.2	-173.4	178	178.8	-178.4	0	111.9	E210 A211 E212 I216 A217 D218	E210-K214 WeakPolarHBondContact O-CB 3.34Å; E210-K214 PolarHBondContact O-N 3.19Å; E210-K214 VanDerWaalsContact O-N 3.1Å; A211-K214 PolarHBondContact O-N 2.82Å; E212-K214 VanDerWaalsContact C-N 3.26Å; E212-K214 PolarHBondContact O-N 3.33Å; K214-I216 VanDerWaalsContact C-N 3.34Å; K214-I216 PolarHBondContact O-N 2.91Å; K214-A217 PolarHBondContact O-N 2.91Å; K214-D218 WeakPolarHBondContact O-CB 3.49Å; K214-D218 PolarHBondContact O-N 3.35Å
215	E	82.2	Confident	80.8	Confident	145 Å²	145	96.9 Å²	96.9	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-61.6	-42.3	176.5	-172.6	177.7	173.6	0	0	111.7	A211 E212 D218 S219	A211-E215 PolarHBondContact O-N 3.19Å; E212-E215 PolarHBondContact O-N 3.39Å; E212-E215 VanDerWaalsContact O-N 3.16Å; E215-D218 PolarHBondContact O-N 2.9Å; E215-S219 WeakPolarHBondContact O-CB 3.46Å; E215-S219 PolarHBondContact O-N 2.98Å
216	I	83.2	Confident	81.7	Confident	95 Å²	95	94.4 Å²	94.4	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-47.6	175.8	-67.4	166.4	0	0	0	110.5	E212 K214 D218 S219 Y220	E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.33Å; E212-I216 PolarHBondContact O-N 2.86Å; K214-I216 VanDerWaalsContact C-N 3.34Å; K214-I216 PolarHBondContact O-N 2.91Å; I216-D218 VanDerWaalsContact C-N 3.34Å; I216-D218 PolarHBondContact O-N 2.85Å; I216-S219 WeakPolarHBondContact O-CB 3.46Å; I216-S219 PolarHBondContact O-N 3.32Å; I216-Y220 HydrophobicContact CG2-CD2 3.67Å; I216-Y220 HydrophobicContact CG2-CE2 3.48Å; I216-Y220 VanDerWaalsContact CG2-CE2 3.48Å; I216-Y220 WeakPolarHBondContact O-CD2 3.12Å; I216-Y220 PolarHBondContact O-N 2.78Å
217	A	82.3	Confident	82.5	Confident	55 Å²	55	96.6 Å²	96.6	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-42.2	178.5	0	0	0	0	0	112.3	A213 K214 Y220 A221	A213-A217 WeakPolarHBondContact O-CB 3.33Å; A213-A217 PolarHBondContact O-N 3.01Å; K214-A217 PolarHBondContact O-N 2.91Å; A217-Y220 PolarHBondContact O-N 3.08Å; A217-A221 WeakPolarHBondContact O-CB 3.2Å; A217-A221 PolarHBondContact O-N 3.21Å
218	D	86	Confident	82.8	Confident	96 Å²	96	96.1 Å²	96.1	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-37.1	177.2	-75.9	-20.5	0	0	0	111.7	K214 E215 I216 A221 A222	K214-D218 WeakPolarHBondContact O-CB 3.49Å; K214-D218 PolarHBondContact O-N 3.35Å; E215-D218 PolarHBondContact O-N 2.9Å; I216-D218 VanDerWaalsContact C-N 3.34Å; I216-D218 PolarHBondContact O-N 2.85Å; D218-A221 PolarHBondContact O-N 3.03Å; D218-A222 WeakPolarHBondContact O-CB 3.49Å; D218-A222 PolarHBondContact O-N 2.75Å
219	S	86.5	Confident	83.2	Confident	62 Å²	62	96.7 Å²	96.7	43%	0.434	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-45.5	173.4	-176.2	0	0	0	0	112.1	E215 I216 A221 A222 N223	E215-S219 WeakPolarHBondContact O-CB 3.46Å; E215-S219 PolarHBondContact O-N 2.98Å; I216-S219 WeakPolarHBondContact O-CB 3.46Å; I216-S219 PolarHBondContact O-N 3.32Å; S219-A221 PolarHBondContact O-N 2.88Å; S219-A222 PolarHBondContact O-N 2.89Å; S219-N223 WeakPolarHBondContact O-CB 3.19Å; S219-N223 VanDerWaalsContact O-CG 3.28Å; S219-N223 PolarHBondContact O-N 3.46Å; S219-N223 PolarHBondContact O-ND2 2.84Å
220	Y	87.6	Confident	83.6	Confident	142 Å²	142	93.9 Å²	93.9	56%	0.557	50%	0.501	S	S	*	.	H	α-helix	trans	-63.5	-41.4	174.4	-81.3	-70.5	0	0	0	112.4	I216 A217 A222 N223 A224	I216-Y220 HydrophobicContact CG2-CD2 3.67Å; I216-Y220 HydrophobicContact CG2-CE2 3.48Å; I216-Y220 VanDerWaalsContact CG2-CE2 3.48Å; I216-Y220 WeakPolarHBondContact O-CD2 3.12Å; I216-Y220 PolarHBondContact O-N 2.78Å; A217-Y220 PolarHBondContact O-N 3.08Å; Y220-A222 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 2.81Å; Y220-N223 PolarHBondContact O-N 2.93Å; Y220-A224 WeakPolarHBondContact O-CB 3.28Å; Y220-A224 PolarHBondContact O-N 2.87Å
221	A	86.4	Confident	83.7	Confident	45 Å²	45	90.3 Å²	90.3	37%	0.372	49%	0.485	S	S	.	.	H	α-helix	trans	-65.5	-35.1	176.4	0	0	0	0	0	112.3	A217 D218 S219 R225	A217-A221 WeakPolarHBondContact O-CB 3.2Å; A217-A221 PolarHBondContact O-N 3.21Å; D218-A221 PolarHBondContact O-N 3.03Å; S219-A221 PolarHBondContact O-N 2.88Å; A221-R225 WeakPolarHBondContact O-CG 3.5Å; A221-R225 PolarHBondContact O-N 3.04Å; A221-R225 PolarHBondContact O-NE 3Å
222	A	89.8	Confident	83.7	Confident	38 Å²	38	92.4 Å²	92.4	31%	0.314	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-47.9	172	0	0	0	0	0	111.5	D218 S219 Y220 A224 R225 V226	D218-A222 WeakPolarHBondContact O-CB 3.49Å; D218-A222 PolarHBondContact O-N 2.75Å; S219-A222 PolarHBondContact O-N 2.89Å; Y220-A222 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 2.81Å; A222-A224 PolarHBondContact O-N 2.85Å; A222-R225 WeakPolarHBondContact O-CB 3.18Å; A222-R225 PolarHBondContact O-N 2.81Å; A222-V226 WeakPolarHBondContact O-CG2 3.2Å; A222-V226 PolarHBondContact O-N 3.37Å
223	N	85.1	Confident	83.7	Confident	85 Å²	85	96.3 Å²	96.3	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-42.2	178	-71	-25.1	0	0	0	112.1	S219 Y220 R225 V226 I227	S219-N223 WeakPolarHBondContact O-CB 3.19Å; S219-N223 VanDerWaalsContact O-CG 3.28Å; S219-N223 PolarHBondContact O-N 3.46Å; S219-N223 PolarHBondContact O-ND2 2.84Å; Y220-N223 PolarHBondContact O-N 2.93Å; N223-R225 VanDerWaalsContact C-N 3.34Å; N223-R225 PolarHBondContact O-N 3.46Å; N223-V226 PolarHBondContact O-N 2.63Å; N223-I227 VanDerWaalsContact O-CG1 3.29Å; N223-I227 WeakPolarHBondContact O-CG1 3.46Å; N223-I227 PolarHBondContact O-N 3.11Å
224	A	83.7	Confident	83.8	Confident	57 Å²	57	100.1 Å²	100.1	47%	0.471	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-42.6	175.7	0	0	0	0	0	112.2	Y220 A222 I227 E228	Y220-A224 WeakPolarHBondContact O-CB 3.28Å; Y220-A224 PolarHBondContact O-N 2.87Å; A222-A224 PolarHBondContact O-N 2.85Å; A224-I227 PolarHBondContact O-N 3.29Å; A224-E228 WeakPolarHBondContact O-CB 3.33Å; A224-E228 PolarHBondContact O-N 3.14Å
225	R	86.7	Confident	83.3	Confident	153 Å²	153	94.3 Å²	94.3	58%	0.577	48%	0.48	S	S	*	.	H	α-helix	trans	-63.3	-40.8	176	-76.3	-178	-75.9	-179.5	-3	112.3	A221 A222 N223 E228 Q229	A221-R225 WeakPolarHBondContact O-CG 3.5Å; A221-R225 PolarHBondContact O-N 3.04Å; A221-R225 PolarHBondContact O-NE 3Å; A222-R225 WeakPolarHBondContact O-CB 3.18Å; A222-R225 PolarHBondContact O-N 2.81Å; N223-R225 VanDerWaalsContact C-N 3.34Å; N223-R225 PolarHBondContact O-N 3.46Å; R225-E228 PolarHBondContact O-N 3.11Å; R225-Q229 WeakPolarHBondContact O-CG 3.43Å; R225-Q229 PolarHBondContact O-N 3.38Å
226	V	84.6	Confident	83	Confident	90 Å²	90	89.9 Å²	89.9	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-43.5	176.4	174	0	0	0	0	110.8	A222 N223 Q229 E230	A222-V226 WeakPolarHBondContact O-CG2 3.2Å; A222-V226 PolarHBondContact O-N 3.37Å; N223-V226 PolarHBondContact O-N 2.63Å; V226-Q229 PolarHBondContact O-N 3.07Å; V226-E230 PolarHBondContact O-N 2.93Å
227	I	80.9	Confident	82.4	Confident	111 Å²	111	88.4 Å²	88.4	57%	0.569	45%	0.453	S	S	*	.	H	α-helix	trans	-64	-42.2	178.2	-66	164.7	0	0	0	110.9	N223 A224 E230 M231	N223-I227 VanDerWaalsContact O-CG1 3.29Å; N223-I227 WeakPolarHBondContact O-CG1 3.46Å; N223-I227 PolarHBondContact O-N 3.11Å; A224-I227 PolarHBondContact O-N 3.29Å; I227-E230 PolarHBondContact O-N 2.91Å; I227-M231 WeakPolarHBondContact O-CB 3.46Å; I227-M231 PolarHBondContact O-N 2.78Å
228	E	77.8	Confident	82	Confident	116 Å²	116	93.5 Å²	93.5	54%	0.542	47%	0.465	S	S	.	.	H	α-helix	trans	-61.5	-46.7	176.8	-174.8	177	-157	0	0	111.6	A224 R225 E230 M231 I232	A224-E228 WeakPolarHBondContact O-CB 3.33Å; A224-E228 PolarHBondContact O-N 3.14Å; R225-E228 PolarHBondContact O-N 3.11Å; E228-E230 PolarHBondContact O-N 3.42Å; E228-M231 PolarHBondContact O-N 2.89Å; E228-I232 HydrophobicContact CG-CD1 4.12Å; E228-I232 VanDerWaalsContact O-CG1 3.32Å; E228-I232 WeakPolarHBondContact O-CG1 3.43Å; E228-I232 PolarHBondContact O-N 3.1Å
229	Q	85.7	Confident	81.2	Confident	131 Å²	131	96 Å²	96	61%	0.612	47%	0.467	S	S	*	.	H	α-helix	trans	-60.2	-43.4	176.4	-73.6	178.6	2.5	0	0	112.1	R225 V226 M231 I232 R233	R225-Q229 WeakPolarHBondContact O-CG 3.43Å; R225-Q229 PolarHBondContact O-N 3.38Å; V226-Q229 PolarHBondContact O-N 3.07Å; Q229-M231 VanDerWaalsContact C-N 3.35Å; Q229-I232 PolarHBondContact O-N 3.41Å; Q229-R233 WeakPolarHBondContact O-CB 3.41Å; Q229-R233 PolarHBondContact O-N 2.95Å
230	E	82.9	Confident	80.6	Confident	60 Å²	60	100 Å²	100	28%	0.28	47%	0.472	S	S	.	.	H	α-helix	trans	-69.7	-33.2	178.3	-167.3	63	-169.7	0	0	111.6	V226 I227 E228 R233 R234	V226-E230 PolarHBondContact O-N 2.93Å; I227-E230 PolarHBondContact O-N 2.91Å; E228-E230 PolarHBondContact O-N 3.42Å; E230-R233 PolarHBondContact O-N 3.34Å; E230-R233 IonicContact OE1-CZ 3.68Å; E230-R233 IonicContact OE1-NE 3.58Å; E230-R233 IonicContact OE1-NH2 2.89Å; E230-R233 PolarHBondContact OE1-NH2 2.81Å; E230-R233 IonicContact OE2-CZ 3.67Å; E230-R233 IonicContact OE2-NE 2.88Å; E230-R233 PolarHBondContact OE2-NE 2.8Å; E230-R233 IonicContact OE2-NH2 3.57Å; E230-R234 HydrophobicContact CG-CG 4.48Å; E230-R234 WeakPolarHBondContact O-CB 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.15Å; E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 IonicContact OE1-CZ 2.91Å; E230-R234 IonicContact OE1-NE 3.35Å; E230-R234 PolarHBondContact OE1-NE 2.83Å; E230-R234 IonicContact OE1-NH2 2.91Å; E230-R234 PolarHBondContact OE1-NH2 3.4Å
231	M	79.4	Confident	79.9	Confident	53 Å²	53	98.3 Å²	98.3	26%	0.261	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-38.5	174.4	-162.1	-173.8	-93.7	0	0	111.8	I227 E228 Q229 G235 I236 I237	I227-M231 WeakPolarHBondContact O-CB 3.46Å; I227-M231 PolarHBondContact O-N 2.78Å; E228-M231 PolarHBondContact O-N 2.89Å; Q229-M231 VanDerWaalsContact C-N 3.35Å; M231-G235 PolarHBondContact O-N 3.48Å; M231-I236 HydrophobicContact CE-CG2 4.46Å; M231-I236 HydrophobicContact CG-CB 3.62Å; M231-I236 HydrophobicContact CG-CD1 4.35Å; M231-I236 HydrophobicContact CG-CG2 3.79Å; M231-I236 PolarHBondContact O-N 3.31Å; M231-I236 HydrophobicContact SD-CG2 4.32Å; M231-I237 HydrophobicContact CB-CG1 4.37Å; M231-I237 HydrophobicContact CG-CD1 4.42Å; M231-I237 HydrophobicContact CG-CG1 3.75Å; M231-I237 HydrophobicContact SD-CD1 4.29Å; M231-I237 HydrophobicContact SD-CG1 3.71Å
232	I	78.3	Confident	79.3	Confident	103 Å²	103	100.6 Å²	100.6	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-66.4	-48.9	172.6	-67.2	164.6	0	0	0	110.2	E228 Q229 R234 G235 I237	E228-I232 HydrophobicContact CG-CD1 4.12Å; E228-I232 VanDerWaalsContact O-CG1 3.32Å; E228-I232 WeakPolarHBondContact O-CG1 3.43Å; E228-I232 PolarHBondContact O-N 3.1Å; Q229-I232 PolarHBondContact O-N 3.41Å; I232-R234 PolarHBondContact O-N 3.34Å; I232-G235 WeakPolarHBondContact O-CA 3.41Å; I232-G235 PolarHBondContact O-N 2.93Å; I232-I237 HydrophobicContact CG1-CD1 3.63Å
233	R	81.2	Confident	78.6	Confident	185 Å²	185	103.1 Å²	103.1	70%	0.698	49%	0.49	S	S	*	.	H	α-helix	trans	-61.8	-40.3	-177.7	-164.4	-178.3	78.5	92.5	2.3	112.6	Q229 E230 G235	Q229-R233 WeakPolarHBondContact O-CB 3.41Å; Q229-R233 PolarHBondContact O-N 2.95Å; E230-R233 PolarHBondContact O-N 3.34Å; E230-R233 IonicContact OE1-CZ 3.68Å; E230-R233 IonicContact OE1-NE 3.58Å; E230-R233 IonicContact OE1-NH2 2.89Å; E230-R233 PolarHBondContact OE1-NH2 2.81Å; E230-R233 IonicContact OE2-CZ 3.67Å; E230-R233 IonicContact OE2-NE 2.88Å; E230-R233 PolarHBondContact OE2-NE 2.8Å; E230-R233 IonicContact OE2-NH2 3.57Å; R233-G235 PolarHBondContact O-N 2.89Å
234	R	83.4	Confident	78.1	Confident	139 Å²	139	104.3 Å²	104.3	53%	0.525	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.5	174.7	-66.8	-179	-177.6	-159	1.2	113.2	E230 I232 I236 R239	E230-R234 HydrophobicContact CG-CG 4.48Å; E230-R234 WeakPolarHBondContact O-CB 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.15Å; E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 IonicContact OE1-CZ 2.91Å; E230-R234 IonicContact OE1-NE 3.35Å; E230-R234 PolarHBondContact OE1-NE 2.83Å; E230-R234 IonicContact OE1-NH2 2.91Å; E230-R234 PolarHBondContact OE1-NH2 3.4Å; I232-R234 PolarHBondContact O-N 3.34Å; R234-I236 HydrophobicContact CB-CD1 3.83Å; R234-I236 HydrophobicContact CB-CG1 3.82Å; R234-I236 PolarHBondContact O-N 2.91Å; R234-R239 PolarHBondContact O-NH2 2.92Å
235	G	76.1	Confident	77.7	Confident	20 Å²	20	104.4 Å²	104.4	21%	0.206	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	22.6	-178.2	0	0	0	0	0	113.6	M231 I232 R233 I237 K238 R239	M231-G235 PolarHBondContact O-N 3.48Å; I232-G235 WeakPolarHBondContact O-CA 3.41Å; I232-G235 PolarHBondContact O-N 2.93Å; R233-G235 PolarHBondContact O-N 2.89Å; G235-I237 VanDerWaalsContact C-N 3.3Å; G235-I237 PolarHBondContact O-N 2.81Å; G235-K238 PolarHBondContact O-N 2.7Å; G235-R239 PolarHBondContact O-N 2.79Å
236	I	75.4	Confident	77.1	Confident	52 Å²	52	101.4 Å²	101.4	27%	0.267	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-35.9	-178.3	-65.8	167.9	0	0	0	109.9	M231 R234 R239 R240	M231-I236 HydrophobicContact CE-CG2 4.46Å; M231-I236 HydrophobicContact CG-CB 3.62Å; M231-I236 HydrophobicContact CG-CD1 4.35Å; M231-I236 HydrophobicContact CG-CG2 3.79Å; M231-I236 PolarHBondContact O-N 3.31Å; M231-I236 HydrophobicContact SD-CG2 4.32Å; R234-I236 HydrophobicContact CB-CD1 3.83Å; R234-I236 HydrophobicContact CB-CG1 3.82Å; R234-I236 PolarHBondContact O-N 2.91Å; I236-R239 PolarHBondContact O-N 3.11Å; I236-R240 WeakPolarHBondContact O-CB 3.49Å; I236-R240 PolarHBondContact O-N 3.27Å
237	I	70.9	Confident	76.7	Confident	63 Å²	63	102.3 Å²	102.3	32%	0.323	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-45.6	175.5	-56	-175.8	0	0	0	110.9	M231 I232 G235 R239 R240 L241	M231-I237 HydrophobicContact CB-CG1 4.37Å; M231-I237 HydrophobicContact CG-CD1 4.42Å; M231-I237 HydrophobicContact CG-CG1 3.75Å; M231-I237 HydrophobicContact SD-CD1 4.29Å; M231-I237 HydrophobicContact SD-CG1 3.71Å; I232-I237 HydrophobicContact CG1-CD1 3.63Å; G235-I237 VanDerWaalsContact C-N 3.3Å; G235-I237 PolarHBondContact O-N 2.81Å; I237-R239 VanDerWaalsContact C-N 3.34Å; I237-R239 PolarHBondContact O-N 3.49Å; I237-R240 PolarHBondContact O-N 3.16Å; I237-L241 HydrophobicContact CG2-CD1 4.14Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 2.94Å
238	K	73	Confident	76.4	Confident	163 Å²	163	102.2 Å²	102.2	71%	0.709	48%	0.484	S	S	*	.	H	α-helix	trans	-62.4	-41.8	176.6	-72.7	-175.8	179.1	179.1	0	111.5	G235 L241 V242	G235-K238 PolarHBondContact O-N 2.7Å; K238-L241 PolarHBondContact O-N 2.52Å; K238-V242 VanDerWaalsContact O-CG2 3.26Å; K238-V242 WeakPolarHBondContact O-CG2 3.28Å; K238-V242 PolarHBondContact O-N 3.02Å
239	R	70.5	Confident	76.2	Confident	149 Å²	149	98.8 Å²	98.8	56%	0.562	48%	0.476	S	S	*	.	H	α-helix	trans	-62.3	-48	175.5	-77	-175	-84.9	177.4	-6.7	111.6	R234 G235 I236 I237 L241 V242 D243	R234-R239 PolarHBondContact O-NH2 2.92Å; G235-R239 PolarHBondContact O-N 2.79Å; I236-R239 PolarHBondContact O-N 3.11Å; I237-R239 VanDerWaalsContact C-N 3.34Å; I237-R239 PolarHBondContact O-N 3.49Å; R239-L241 PolarHBondContact O-N 3.1Å; R239-V242 PolarHBondContact O-N 3.2Å; R239-D243 WeakPolarHBondContact O-CB 3.43Å; R239-D243 PolarHBondContact O-N 2.89Å
240	R	72.8	Confident	75.5	Confident	145 Å²	145	97.9 Å²	97.9	55%	0.547	47%	0.471	S	S	.	.	H	α-helix	trans	-57.6	-45.8	175.9	-83.7	-173.6	176.8	168.1	-2	113.1	I236 I237 V242 D243 E244	I236-R240 WeakPolarHBondContact O-CB 3.49Å; I236-R240 PolarHBondContact O-N 3.27Å; I237-R240 PolarHBondContact O-N 3.16Å; R240-V242 VanDerWaalsContact C-N 3.33Å; R240-V242 PolarHBondContact O-N 3.33Å; R240-D243 PolarHBondContact O-N 3.44Å; R240-E244 WeakPolarHBondContact O-CB 3.42Å; R240-E244 WeakPolarHBondContact O-CG 3.28Å; R240-E244 PolarHBondContact O-N 3.34Å
241	L	73	Confident	75	Confident	106 Å²	106	101 Å²	101	56%	0.555	49%	0.486	S	S	*	.	H	α-helix	trans	-63.7	-38	178.2	-73.5	170	0	0	0	112.5	I237 K238 R239 A245	I237-L241 HydrophobicContact CG2-CD1 4.14Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 2.94Å; K238-L241 PolarHBondContact O-N 2.52Å; R239-L241 PolarHBondContact O-N 3.1Å; L241-A245 WeakPolarHBondContact O-CB 3.44Å; L241-A245 PolarHBondContact O-N 2.8Å
242	V	73.9	Confident	74.4	Confident	94 Å²	94	107.3 Å²	107.3	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-68.9	-42.1	175.5	172	0	0	0	0	110.7	K238 R239 R240 A245 N246	K238-V242 VanDerWaalsContact O-CG2 3.26Å; K238-V242 WeakPolarHBondContact O-CG2 3.28Å; K238-V242 PolarHBondContact O-N 3.02Å; R239-V242 PolarHBondContact O-N 3.2Å; R240-V242 VanDerWaalsContact C-N 3.33Å; R240-V242 PolarHBondContact O-N 3.33Å; V242-A245 PolarHBondContact O-N 3.17Å; V242-N246 WeakPolarHBondContact O-CB 3.32Å; V242-N246 PolarHBondContact O-N 3.34Å
243	D	74.8	Confident	73.7	Confident	91 Å²	91	113 Å²	113	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-44.8	178.7	-66.6	-25.5	0	0	0	111	R239 R240 N246 E247	R239-D243 WeakPolarHBondContact O-CB 3.43Å; R239-D243 PolarHBondContact O-N 2.89Å; R240-D243 PolarHBondContact O-N 3.44Å; D243-N246 PolarHBondContact O-N 2.71Å; D243-E247 WeakPolarHBondContact O-CG 3.35Å; D243-E247 PolarHBondContact O-N 2.85Å
244	E	75	Confident	72.7	Confident	110 Å²	110	111.2 Å²	111.2	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-44.6	174.9	-75.2	172.7	-179.5	0	0	111.8	R240 N246 E247 E248	R240-E244 WeakPolarHBondContact O-CB 3.42Å; R240-E244 WeakPolarHBondContact O-CG 3.28Å; R240-E244 PolarHBondContact O-N 3.34Å; E244-N246 VanDerWaalsContact C-N 3.29Å; E244-N246 PolarHBondContact O-N 3.47Å; E244-E247 PolarHBondContact O-N 3.12Å; E244-E248 PolarHBondContact O-N 2.77Å
245	A	74.8	Confident	71.3	Confident	58 Å²	58	115.4 Å²	115.4	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-35.8	175.9	0	0	0	0	0	112.3	L241 V242 A249	L241-A245 WeakPolarHBondContact O-CB 3.44Å; L241-A245 PolarHBondContact O-N 2.8Å; V242-A245 PolarHBondContact O-N 3.17Å; A245-A249 WeakPolarHBondContact O-CB 3.41Å; A245-A249 PolarHBondContact O-N 3.33Å
246	N	74.6	Confident	70.3	Confident	90 Å²	90	117.3 Å²	117.3	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-73.3	-38.1	178.5	-148.9	18.4	0	0	0	111.4	V242 D243 E244 A249 Q250	V242-N246 WeakPolarHBondContact O-CB 3.32Å; V242-N246 PolarHBondContact O-N 3.34Å; D243-N246 PolarHBondContact O-N 2.71Å; E244-N246 VanDerWaalsContact C-N 3.29Å; E244-N246 PolarHBondContact O-N 3.47Å; N246-A249 PolarHBondContact O-N 3.37Å; N246-Q250 WeakPolarHBondContact O-CB 3.48Å; N246-Q250 VanDerWaalsContact O-CG 3.28Å; N246-Q250 WeakPolarHBondContact O-CG 2.82Å; N246-Q250 PolarHBondContact O-N 3.33Å
247	E	75.7	Confident	69.1	Low	109 Å²	109	121.8 Å²	121.8	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-63.8	-42.8	172.9	-74.7	-173.9	178.3	0	0	111.7	D243 E244 Q250 Q251	D243-E247 WeakPolarHBondContact O-CG 3.35Å; D243-E247 PolarHBondContact O-N 2.85Å; E244-E247 PolarHBondContact O-N 3.12Å; E247-Q250 PolarHBondContact O-N 3.05Å; E247-Q251 WeakPolarHBondContact O-CG 3.43Å; E247-Q251 PolarHBondContact O-N 3.31Å
248	E	75	Confident	68.3	Low	110 Å²	110	127 Å²	127	51%	0.514	62%	0.617	S	S	.	*	H	α-helix	trans	-63.5	-41.7	174	-76	-167.4	179.7	0	0	112.4	E244 Q250 Q251 R252	E244-E248 PolarHBondContact O-N 2.77Å; E248-Q250 VanDerWaalsContact C-N 3.34Å; E248-Q250 PolarHBondContact O-N 2.8Å; E248-Q251 PolarHBondContact O-N 2.85Å; E248-R252 WeakPolarHBondContact O-CG 3.46Å; E248-R252 PolarHBondContact O-N 3.32Å; E248-R252 IonicContact OE2-NH2 3.58Å
249	A	73.4	Confident	67.4	Low	44 Å²	44	126.2 Å²	126.2	36%	0.364	62%	0.62	S	S	.	*	H	α-helix	trans	-64	-39.1	176.6	0	0	0	0	0	111.9	A245 N246 R252 R253	A245-A249 WeakPolarHBondContact O-CB 3.41Å; A245-A249 PolarHBondContact O-N 3.33Å; N246-A249 PolarHBondContact O-N 3.37Å; A249-R252 PolarHBondContact O-N 2.84Å; A249-R253 PolarHBondContact O-N 2.84Å; A249-R253 VanDerWaalsContact O-N 3.12Å
250	Q	72.5	Confident	66.1	Low	111 Å²	111	127.3 Å²	127.3	52%	0.519	63%	0.631	S	S	.	*	H	α-helix	trans	-66.1	-41.1	174.7	-74.4	177.7	8.4	0	0	111.9	N246 E247 E248 R252 R253 I254	N246-Q250 WeakPolarHBondContact O-CB 3.48Å; N246-Q250 VanDerWaalsContact O-CG 3.28Å; N246-Q250 WeakPolarHBondContact O-CG 2.82Å; N246-Q250 PolarHBondContact O-N 3.33Å; E247-Q250 PolarHBondContact O-N 3.05Å; E248-Q250 VanDerWaalsContact C-N 3.34Å; E248-Q250 PolarHBondContact O-N 2.8Å; Q250-R252 VanDerWaalsContact C-N 3.31Å; Q250-R252 PolarHBondContact O-N 3.02Å; Q250-R253 PolarHBondContact O-N 2.78Å; Q250-I254 WeakPolarHBondContact O-CG1 3.27Å; Q250-I254 PolarHBondContact O-N 2.71Å
251	Q	71.3	Confident	64.8	Low	126 Å²	126	130.5 Å²	130.5	59%	0.589	65%	0.649	S	S	*	*	H	α-helix	trans	-64.2	-35	175.8	-73	178.8	27.3	0	0	112.6	E247 E248	E247-Q251 WeakPolarHBondContact O-CG 3.43Å; E247-Q251 PolarHBondContact O-N 3.31Å; E248-Q251 PolarHBondContact O-N 2.85Å
252	R	67.6	Low	63.3	Low	185 Å²	185	137.9 Å²	137.9	70%	0.698	68%	0.68	S	S	*	*	H	α-helix	trans	-70.2	-36.3	175.4	-69.7	179.5	-166.5	-168.9	7.9	112.7	E248 A249 Q250 I254 R255	E248-R252 WeakPolarHBondContact O-CG 3.46Å; E248-R252 PolarHBondContact O-N 3.32Å; E248-R252 IonicContact OE2-NH2 3.58Å; A249-R252 PolarHBondContact O-N 2.84Å; Q250-R252 VanDerWaalsContact C-N 3.31Å; Q250-R252 PolarHBondContact O-N 3.02Å; R252-I254 PolarHBondContact O-N 2.87Å; R252-R255 PolarHBondContact O-N 3.42Å
253	R	62	Low	62.7	Low	224 Å²	224	140.1 Å²	140.1	85%	0.845	69%	0.686	S	S	*	*	H	α-helix	trans	-68.8	-29.4	178.5	-76.7	-178.4	169.9	-174.1	-2.1	114	A249 Q250 R255	A249-R253 PolarHBondContact O-N 2.84Å; A249-R253 VanDerWaalsContact O-N 3.12Å; Q250-R253 PolarHBondContact O-N 2.78Å; R253-R255 VanDerWaalsContact C-N 3.33Å
254	I	61	Low	62.1	Low	147 Å²	147	142.6 Å²	142.6	75%	0.754	70%	0.696	S	S	*	*	H	α-helix	trans	-77.4	-23.2	179.2	-64.2	165.9	0	0	0	111.3	Q250 R252 G256	Q250-I254 WeakPolarHBondContact O-CG1 3.27Å; Q250-I254 PolarHBondContact O-N 2.71Å; R252-I254 PolarHBondContact O-N 2.87Å; I254-G256 PolarHBondContact O-N 3.23Å; I254-G256 VanDerWaalsContact O-N 3.16Å
255	R	55.1	Low	61.4	Low	227 Å²	227	144.4 Å²	144.4	86%	0.857	71%	0.707	S	S	*	*	S	Bend	trans	-86.6	76.7	174.8	-94.1	-178	167.1	137.2	-5.1	111.4	R252 R253	R252-R255 PolarHBondContact O-N 3.42Å; R253-R255 VanDerWaalsContact C-N 3.33Å
256	G	54.2	Low	60.6	Low	60 Å²	60	149.5 Å²	149.5	62%	0.619	72%	0.72	S	S	*	*			trans	124.9	98.8	154.2	0	0	0	0	0	115.8	I254	I254-G256 PolarHBondContact O-N 3.23Å; I254-G256 VanDerWaalsContact O-N 3.16Å
257	T	50.8	Low	59.7	Low	146 Å²	146	153.3 Å²	153.3	90%	0.896	74%	0.735	S	S	*	*			trans	-157.6	104.8	131.5	47.3	0	0	0	0	107.8
258	L	52.7	Low	58.7	Low	171 Å²	171	156.2 Å²	156.2	90%	0.895	75%	0.75	S	S	*	*			trans	-105.5	90	165.7	-177.7	78.3	0	0	0	105.9
259	I	55.7	Low	57.5	Low	148 Å²	148	159.5 Å²	159.5	76%	0.759	77%	0.767	S	S	*	*			trans	-153.2	112.4	165	-90.5	135.7	0	0	0	108
260	E	41.7	Very low	56.3	Low	172 Å²	172	168.4 Å²	168.4	80%	0.804	80%	0.798	S	S	*	*			trans	48.9	107.2	140.5	-57.9	176.8	163.9	0	0	119.6
261	K	46.3	Very low	54.9	Low	211 Å²	211	173.2 Å²	173.2	92%	0.917	82%	0.821	S	S	*	*			trans	-115.9	112.6	130.5	-80.6	-175.6	175.7	179.8	0	108.1
262	Q	40.9	Very low	53.4	Low	261 Å²	261	177.5 Å²	177.5	100%	1.22	84%	0.842	S	S	*	*			trans	-59	0	145.8	-72.6	-176.6	-34.5	0	0	109.8

Retrieved 262 of 262 residues in 499.4 ms (Link to these results)

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