A0A096MNT2_PAPAN Loading...

STING ER exit protein

Molecular adapter that stimulates membrane curvature formation and subsequent endoplasmic reticulum exit site (ERES) establishment by recruiting PI3K complex I, leading to COPII vesicle-mediated transport. Promotes endoplasmic reticulum (ER) exit of cGAMP-activated STING1 oligomers.

AlphaFold DB (Q9H5V9), UniProt , Accession A0A096MNT2, Species PAPAN (Papio anubis, Olive baboon), Gene STEEP1, Length 222 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.7	Low	61	Low	235 Å²	235	147.9 Å²	147.9	100%	1.158	82%	0.823	S	S	*	*				0	120.1	0	-71.3	179	170.9	0	0	108.5
2	P	54.9	Low	60.4	Low	123 Å²	123	142.3 Å²	142.3	80%	0.799	80%	0.801	S	S	*	*			trans	-73.8	128.8	176.4	27.3	-24.5	0	0	0	109.6	V4	P2-V4 PolarHBondContact O-N 2.82Å
3	K	60.6	Low	60.2	Low	202 Å²	202	143.4 Å²	143.4	88%	0.878	80%	0.804	S	S	*	*			trans	-68.5	108.5	175.8	-78.3	178	175.7	172	0	109	V5	K3-V5 PolarHBondContact O-N 3.25Å
4	V	70.3	Confident	60	Low	137 Å²	137	141.4 Å²	141.4	83%	0.83	80%	0.797	S	S	*	*			trans	-72.1	110.7	169.9	179.2	0	0	0	0	107.7	P2	P2-V4 PolarHBondContact O-N 2.82Å
5	V	61.4	Low	59.8	Low	123 Å²	123	146.7 Å²	146.7	75%	0.745	80%	0.799	S	S	*	*			trans	-99.9	99.5	172	-175.8	0	0	0	0	107.3	K3 R7	K3-V5 PolarHBondContact O-N 3.25Å; V5-R7 PolarHBondContact O-N 3.28Å
6	S	66.6	Low	59.5	Low	107 Å²	107	142.5 Å²	142.5	75%	0.748	78%	0.776	S	S	*	*			trans	-73.1	113.2	171.1	53.4	0	0	0	0	109.3	S8	S6-S8 PolarHBondContact O-N 3Å
7	R	63.8	Low	59.2	Low	231 Å²	231	143.4 Å²	143.4	87%	0.872	77%	0.765	S	S	*	*			trans	-77.9	111.3	165.1	-73.8	-178	165.6	-178.2	-4.7	107.9	V5 V9	V5-R7 PolarHBondContact O-N 3.28Å; R7-V9 PolarHBondContact O-N 3.47Å
8	S	67.7	Low	59.1	Low	109 Å²	109	142.4 Å²	142.4	76%	0.762	76%	0.756	S	S	*	*			trans	-68.7	120.5	164.8	44.3	0	0	0	0	108.5	S6	S6-S8 PolarHBondContact O-N 3Å
9	V	59.4	Low	58.8	Low	129 Å²	129	142.1 Å²	142.1	78%	0.782	75%	0.749	S	S	*	*			trans	-82.9	115.1	167.4	179	0	0	0	0	106.3	R7 C11	R7-V9 PolarHBondContact O-N 3.47Å; V9-C11 PolarHBondContact O-N 2.98Å
10	V	59.6	Low	58.5	Low	123 Å²	123	142.5 Å²	142.5	75%	0.745	74%	0.741	S	S	*	*			trans	-75.2	107.3	172.8	180	0	0	0	0	107.3	S12	V10-S12 PolarHBondContact O-N 2.94Å
11	C	54.9	Low	58.3	Low	108 Å²	108	142.4 Å²	142.4	73%	0.73	74%	0.742	S	S	*	*			trans	-69.2	110.2	164.5	-86	0	0	0	0	108.2	V9	V9-C11 PolarHBondContact O-N 2.98Å
12	S	53.4	Low	58.4	Low	81 Å²	81	136 Å²	136	57%	0.566	71%	0.712	S	S	*	*			trans	-88.9	100.1	167.4	39.7	0	0	0	0	109.7	V10 T14	V10-S12 PolarHBondContact O-N 2.94Å; S12-T14 PolarHBondContact O-N 3.32Å
13	D	58	Low	58.5	Low	156 Å²	156	133.9 Å²	133.9	83%	0.834	71%	0.713	S	S	*	*			trans	-70.9	42.1	171.5	-78	-21.7	0	0	0	112.4
14	T	58.4	Low	58.5	Low	115 Å²	115	132.6 Å²	132.6	71%	0.706	71%	0.71	S	S	*	*			trans	-96.9	3.9	-175	52.8	0	0	0	0	114.1	S12	S12-T14 PolarHBondContact O-N 3.32Å
15	R	55.7	Low	58.3	Low	221 Å²	221	133.4 Å²	133.4	83%	0.834	70%	0.702	S	S	*	*	S	Bend	trans	-95.9	-7.1	-170.9	-64.9	-170.4	-172.7	-175.6	3	116.2
16	D	55.2	Low	59	Low	80 Å²	80	132.1 Å²	132.1	43%	0.428	70%	0.696	S	S	.	*			trans	-111.9	23.1	-170.4	-63.2	-21.8	0	0	0	114.6	T145 K146	D16-T145 WeakPolarHBondContact O-CA 3.24Å; D16-K146 WeakPolarHBondContact CB-O 3.49Å; D16-K146 PolarHBondContact O-N 3.21Å
17	R	54.1	Low	60	Low	157 Å²	157	132.5 Å²	132.5	59%	0.592	69%	0.689	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.8	100.1	169	-74.5	176.2	95.4	147.9	4.7	109.1	M143 T145	R17-M143 PolarHBondContact NH2-SD 2.83Å; R17-T145 HydrophobicContact CG-CG2 4.11Å
18	E	58.4	Low	61.2	Low	127 Å²	127	123.2 Å²	123.2	59%	0.593	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	163.1	-77.1	-178.9	162.7	0	0	107.8	Y20	E18-Y20 PolarHBondContact O-N 3.5Å
19	E	54	Low	62.4	Low	136 Å²	136	120.4 Å²	120.4	64%	0.636	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69	107.7	168.2	-71.5	-174.9	-166.6	0	0	107.7	K141	E19-K141 IonicContact OE2-NZ 3.45Å; E19-K141 PolarHBondContact OE2-NZ 2.72Å
20	Y	51.7	Low	64	Low	149 Å²	149	114.4 Å²	114.4	58%	0.584	60%	0.597	S	S	*	*			trans	-89.5	110.7	165.3	-105.2	-98.8	0	0	0	107.3	E18 D22	E18-Y20 PolarHBondContact O-N 3.5Å; Y20-D22 PolarHBondContact O-N 3.39Å
21	D	55.3	Low	65.6	Low	142 Å²	142	111.5 Å²	111.5	76%	0.759	57%	0.573	S	S	*	*			trans	-68.5	111	164.4	-136.5	-7.9	0	0	0	105.2	G23	D21-G23 PolarHBondContact O-N 3Å
22	D	53.5	Low	67.5	Low	100 Å²	100	106.4 Å²	106.4	54%	0.535	54%	0.539	S	S	.	.			trans	-47.2	109.8	173.1	-87.4	-33.3	0	0	0	107.4	Y20 E24 V142	Y20-D22 PolarHBondContact O-N 3.39Å; D22-E24 PolarHBondContact O-N 2.86Å; D22-V142 WeakPolarHBondContact OD2-CG2 3.24Å
23	G	55.8	Low	69.2	Low	78 Å²	78	106.9 Å²	106.9	80%	0.804	54%	0.535	S	S	*	.	S	Bend	trans	-64.1	9.9	-169.2	0	0	0	0	0	115	D21 K25	D21-G23 PolarHBondContact O-N 3Å; G23-K25 PolarHBondContact O-N 3.37Å
24	E	60.9	Low	70.7	Confident	175 Å²	175	101.2 Å²	101.2	82%	0.818	51%	0.507	S	S	*	.			trans	-78	96.4	172.9	-60.7	-163.9	171.1	0	0	109.7	D22	D22-E24 PolarHBondContact O-N 2.86Å
25	K	65.6	Low	72.2	Confident	155 Å²	155	97.4 Å²	97.4	67%	0.674	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-51.8	124.6	172.3	-67.8	175	-175.5	169.4	0	109	G23 L27	G23-K25 PolarHBondContact O-N 3.37Å; K25-L27 PolarHBondContact O-N 3.17Å
26	P	76.3	Confident	73.8	Confident	96 Å²	96	89 Å²	89	62%	0.623	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-60.1	128.2	-175.6	21.9	-32.4	0	0	0	110.5	H28	P26-H28 PolarHBondContact O-CE1 3.27Å; P26-H28 PolarHBondContact O-N 3.1Å; P26-H28 PolarHBondContact O-ND1 3.2Å
27	L	87.4	Confident	75.5	Confident	114 Å²	114	88.6 Å²	88.6	60%	0.597	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-72.2	127.4	175.3	-65.4	177.6	0	0	0	109.9	K25 V40 D42	K25-L27 PolarHBondContact O-N 3.17Å; L27-V40 HydrophobicContact CB-CG1 4.11Å; L27-V40 HydrophobicContact CD1-CG1 4.39Å; L27-D42 HydrophobicContact CD2-CB 4.34Å
28	H	90.1	Very high	77.5	Confident	37 Å²	37	81.1 Å²	81.1	17%	0.171	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.7	179.4	-62.9	78.5	0	0	0	109.9	P26 Y30 V40 L41 Q44	P26-H28 PolarHBondContact O-CE1 3.27Å; P26-H28 PolarHBondContact O-N 3.1Å; P26-H28 PolarHBondContact O-ND1 3.2Å; H28-Y30 HydrophobicContact CB-CD2 4.44Å; H28-Y30 HydrophobicContact CB-CE2 3.63Å; H28-V40 WeakPolarHBondContact O-CA 3.36Å; H28-L41 PolarHBondContact N-O 3.28Å; H28-L41 PolarHBondContact O-N 3.45Å; H28-Q44 WeakPolarHBondContact NE2-CG 3.45Å; H28-Q44 PolarHBondContact NE2-NE2 3.32Å
29	V	92.4	Very high	79.2	Confident	50 Å²	50	75 Å²	75	30%	0.303	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.2	178.9	-173.7	0	0	0	0	110.3	Y31 M37 V40	V29-Y31 HydrophobicContact CB-CE2 4.43Å; V29-Y31 HydrophobicContact CG1-CE1 4.41Å; V29-Y31 HydrophobicContact CG1-CE2 4.01Å; V29-M37 HydrophobicContact CG1-CG 3.63Å; V29-M37 HydrophobicContact CG1-SD 3.68Å; V29-V40 HydrophobicContact CG2-CG2 4.46Å
30	Y	93.2	Very high	81.1	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.008	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.2	-178.6	-67.9	-86.6	0	0	0	111.4	H28 V38 L39 L41 Q44 L45 V119 V120 K121	H28-Y30 HydrophobicContact CB-CD2 4.44Å; H28-Y30 HydrophobicContact CB-CE2 3.63Å; Y30-V38 PolarHBondContact O-N 2.84Å; Y30-L39 HydrophobicContact CD2-CD2 4.33Å; Y30-L39 HydrophobicContact CD2-CG 4.39Å; Y30-L39 PolarHBondContact N-O 2.82Å; Y30-L39 PolarHBondContact O-N 3.46Å; Y30-L41 HydrophobicContact CD2-CB 4.48Å; Y30-L41 HydrophobicContact CD2-CD1 4.15Å; Y30-L41 HydrophobicContact CE2-CB 4.17Å; Y30-L41 HydrophobicContact CE2-CD1 3.94Å; Y30-Q44 WeakPolarHBondContact OH-CA 3.48Å; Y30-L45 HydrophobicContact CD1-CD2 4.42Å; Y30-L45 HydrophobicContact CE1-CB 3.69Å; Y30-L45 HydrophobicContact CE1-CD2 4.05Å; Y30-L45 HydrophobicContact CE1-CG 4.46Å; Y30-L45 WeakPolarHBondContact OH-CB 3.39Å; Y30-L45 PolarHBondContact OH-N 3.26Å; Y30-V119 HydrophobicContact CD1-CG2 4.44Å; Y30-V120 WeakPolarHBondContact CA-O 3.36Å; Y30-K121 HydrophobicContact CD1-CG 3.89Å; Y30-K121 HydrophobicContact CE1-CD 4.24Å; Y30-K121 HydrophobicContact CE1-CG 3.41Å; Y30-K121 VanDerWaalsContact CE1-CG 3.41Å; Y30-K121 WeakPolarHBondContact OH-CE 3.49Å
31	Y	94.1	Very high	83	Confident	62 Å²	62	62.7 Å²	62.7	24%	0.243	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.7	-173.6	-56.8	-93.5	0	0	0	110.5	V29 Q36 M37 V119 V120 F122	V29-Y31 HydrophobicContact CB-CE2 4.43Å; V29-Y31 HydrophobicContact CG1-CE1 4.41Å; V29-Y31 HydrophobicContact CG1-CE2 4.01Å; Y31-Q36 CarbonylContact C-O 3.49Å; Y31-Q36 VanDerWaalsContact CA-O 3.24Å; Y31-Q36 WeakPolarHBondContact CA-O 3.27Å; Y31-M37 HydrophobicContact CD1-CB 4.15Å; Y31-M37 HydrophobicContact CE1-CB 4.06Å; Y31-V119 CarbonylContact O-C 3.53Å; Y31-V119 VanDerWaalsContact O-CA 3.29Å; Y31-V119 WeakPolarHBondContact O-CA 3.48Å; Y31-V120 PolarHBondContact N-O 2.92Å; Y31-V120 WeakPolarHBondContact O-CG2 3.22Å; Y31-V120 PolarHBondContact O-N 3.24Å; Y31-F122 HydrophobicContact CD2-CB 4.4Å; Y31-F122 HydrophobicContact CE2-CB 3.79Å; Y31-F122 HydrophobicContact CE2-CD2 4.26Å
32	C	93.5	Very high	84.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	159.7	162.8	179.1	0	0	0	0	109.4	C34 G35 Q36 V38 C93 C96 L100	C32-C34 PolarHBondContact O-N 3.38Å; C32-G35 PolarHBondContact O-N 2.99Å; C32-Q36 PolarHBondContact N-O 3.28Å; C32-V38 HydrophobicContact CB-CG1 3.81Å; C32-V38 HydrophobicContact CB-CG2 4.35Å; C32-C93 HydrophobicContact CB-CB 4.45Å; C32-C96 PolarHBondContact SG-SG 3.38Å; C32-L100 HydrophobicContact CB-CD2 4.22Å
33	L	90.2	Very high	86.4	Confident	92 Å²	92	53.2 Å²	53.2	48%	0.482	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23	172.1	-57.1	179.3	0	0	0	113.5	G35 L98 V120	L33-G35 VanDerWaalsContact C-N 3.27Å; L33-G35 PolarHBondContact O-N 2.83Å; L33-L98 HydrophobicContact CB-CD2 4.38Å; L33-L98 HydrophobicContact CD1-CD2 3.88Å; L33-L98 HydrophobicContact CG-CD2 4.04Å; L33-V120 HydrophobicContact CD2-CG1 3.78Å; L33-V120 HydrophobicContact CD2-CG2 4.38Å
34	C	90	Very high	88	Confident	36 Å²	36	52.5 Å²	52.5	24%	0.243	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1	174.6	73.7	0	0	0	0	114.8	C32 C93 C96	C32-C34 PolarHBondContact O-N 3.38Å; C34-C93 VanDerWaalsContact SG-SG 3.63Å; C34-C96 HydrophobicContact CB-CB 3.93Å; C34-C96 VanDerWaalsContact SG-SG 3.68Å
35	G	88	Confident	89.5	Confident	35 Å²	35	45.7 Å²	45.7	36%	0.361	24%	0.244	S	C	.	.	S	Bend	trans	86.7	1	-179.5	0	0	0	0	0	115.3	C32 L33	C32-G35 PolarHBondContact O-N 2.99Å; L33-G35 VanDerWaalsContact C-N 3.27Å; L33-G35 PolarHBondContact O-N 2.83Å
36	Q	89.2	Confident	90.6	Very high	45 Å²	45	44.2 Å²	44.2	21%	0.21	24%	0.24	C	C	.	.			trans	-79.4	134.7	178.2	-167.6	142.2	-10.5	0	0	111.2	Y31 C32 V38 N70	Y31-Q36 CarbonylContact C-O 3.49Å; Y31-Q36 VanDerWaalsContact CA-O 3.24Å; Y31-Q36 WeakPolarHBondContact CA-O 3.27Å; C32-Q36 PolarHBondContact N-O 3.28Å; Q36-V38 WeakPolarHBondContact O-CG1 3.48Å; Q36-V38 PolarHBondContact O-N 3.45Å; Q36-N70 HydrophobicContact CG-CB 3.81Å; Q36-N70 VanDerWaalsContact CG-ND2 3.3Å; Q36-N70 WeakPolarHBondContact CG-ND2 3.33Å; Q36-N70 PolarHBondContact NE2-ND2 3.19Å
37	M	92.6	Very high	91.3	Very high	71 Å²	71	47.2 Å²	47.2	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.3	171.2	179.5	-179.7	74.5	0	0	109.5	V29 Y31 V40 C69 N70	V29-M37 HydrophobicContact CG1-CG 3.63Å; V29-M37 HydrophobicContact CG1-SD 3.68Å; Y31-M37 HydrophobicContact CD1-CB 4.15Å; Y31-M37 HydrophobicContact CE1-CB 4.06Å; M37-V40 HydrophobicContact SD-CG2 4.3Å; M37-C69 HydrophobicContact CE-CB 3.99Å; M37-N70 PolarHBondContact O-ND2 2.9Å
38	V	94.4	Very high	91.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-22.5	-174.6	-67.4	0	0	0	0	114.9	Y30 C32 Q36 C69 L100 F101 V119	Y30-V38 PolarHBondContact O-N 2.84Å; C32-V38 HydrophobicContact CB-CG1 3.81Å; C32-V38 HydrophobicContact CB-CG2 4.35Å; Q36-V38 WeakPolarHBondContact O-CG1 3.48Å; Q36-V38 PolarHBondContact O-N 3.45Å; V38-C69 VanDerWaalsContact CA-O 3.24Å; V38-C69 WeakPolarHBondContact CA-O 3.43Å; V38-C69 PolarHBondContact O-N 3.47Å; V38-L100 HydrophobicContact CB-CD1 3.72Å; V38-L100 HydrophobicContact CG1-CD1 3.51Å; V38-L100 HydrophobicContact CG2-CD1 4.03Å; V38-F101 HydrophobicContact CB-CE2 4.45Å; V38-F101 HydrophobicContact CG2-CZ 4.35Å; V38-V119 HydrophobicContact CG2-CG1 3.82Å
39	L	94.2	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	133.7	-175.6	172.6	67.4	0	0	0	110.8	Y30 L41 I59 H66 K67 F68 F101 I114	Y30-L39 HydrophobicContact CD2-CD2 4.33Å; Y30-L39 HydrophobicContact CD2-CG 4.39Å; Y30-L39 PolarHBondContact N-O 2.82Å; Y30-L39 PolarHBondContact O-N 3.46Å; L39-L41 HydrophobicContact CD1-CD1 4.32Å; L39-L41 HydrophobicContact CD1-CD2 4.26Å; L39-L41 HydrophobicContact CD1-CG 3.84Å; L39-L41 HydrophobicContact CD2-CD1 3.48Å; L39-L41 VanDerWaalsContact CD2-CD1 3.48Å; L39-L41 HydrophobicContact CD2-CG 3.93Å; L39-L41 HydrophobicContact CG-CD1 3.92Å; L39-L41 HydrophobicContact CG-CG 3.79Å; L39-I59 HydrophobicContact CD1-CD1 4.09Å; L39-I59 HydrophobicContact CD2-CD1 4.21Å; L39-H66 HydrophobicContact CD1-CB 4.47Å; L39-K67 WeakPolarHBondContact CA-O 3.06Å; L39-F68 HydrophobicContact CD1-CD1 3.83Å; L39-F68 HydrophobicContact CD1-CE1 3.71Å; L39-F101 HydrophobicContact CB-CE1 4.47Å; L39-F101 HydrophobicContact CB-CZ 3.84Å; L39-F101 HydrophobicContact CD2-CE1 3.93Å; L39-F101 HydrophobicContact CD2-CZ 4.13Å; L39-F101 HydrophobicContact CG-CZ 4.44Å; L39-I114 HydrophobicContact CD2-CD1 3.86Å
40	V	94	Very high	91.8	Very high	25 Å²	25	46.4 Å²	46.4	15%	0.152	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.8	167.2	-174.6	0	0	0	0	107.3	L27 H28 V29 M37 H66 K67	L27-V40 HydrophobicContact CB-CG1 4.11Å; L27-V40 HydrophobicContact CD1-CG1 4.39Å; H28-V40 WeakPolarHBondContact O-CA 3.36Å; V29-V40 HydrophobicContact CG2-CG2 4.46Å; M37-V40 HydrophobicContact SD-CG2 4.3Å; V40-H66 CarbonylContact O-C 3.51Å; V40-H66 VanDerWaalsContact O-CA 3.22Å; V40-H66 WeakPolarHBondContact O-CA 3.33Å; V40-K67 HydrophobicContact CB-CB 4.32Å; V40-K67 PolarHBondContact N-O 3.43Å; V40-K67 PolarHBondContact O-N 3.15Å
41	L	92.7	Very high	91.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.2	-177.5	-81.5	169.6	0	0	0	111.1	H28 Y30 L39 C43 L48 I59 H66	H28-L41 PolarHBondContact N-O 3.28Å; H28-L41 PolarHBondContact O-N 3.45Å; Y30-L41 HydrophobicContact CD2-CB 4.48Å; Y30-L41 HydrophobicContact CD2-CD1 4.15Å; Y30-L41 HydrophobicContact CE2-CB 4.17Å; Y30-L41 HydrophobicContact CE2-CD1 3.94Å; L39-L41 HydrophobicContact CD1-CD1 4.32Å; L39-L41 HydrophobicContact CD1-CD2 4.26Å; L39-L41 HydrophobicContact CD1-CG 3.84Å; L39-L41 HydrophobicContact CD2-CD1 3.48Å; L39-L41 VanDerWaalsContact CD2-CD1 3.48Å; L39-L41 HydrophobicContact CD2-CG 3.93Å; L39-L41 HydrophobicContact CG-CD1 3.92Å; L39-L41 HydrophobicContact CG-CG 3.79Å; L41-C43 WeakPolarHBondContact CB-O 3.48Å; L41-C43 PolarHBondContact O-N 3.42Å; L41-L48 HydrophobicContact CD1-CD1 4.01Å; L41-I59 HydrophobicContact CD1-CD1 4.45Å; L41-I59 HydrophobicContact CD2-CD1 4.05Å; L41-I59 HydrophobicContact CD2-CG1 4.1Å; L41-I59 HydrophobicContact CD2-CG2 4.23Å; L41-H66 HydrophobicContact CD2-CB 3.47Å; L41-H66 VanDerWaalsContact CD2-CB 3.47Å; L41-H66 HydrophobicContact CG-CB 4.44Å
42	D	90.8	Very high	91.4	Very high	28 Å²	28	51 Å²	51	15%	0.15	27%	0.274	C	S	.	.	S	Bend	trans	-72.5	-9.7	170.3	66.3	-8.8	0	0	0	114.2	L27 H64 A65	L27-D42 HydrophobicContact CD2-CB 4.34Å; D42-H64 WeakPolarHBondContact OD1-CB 3.24Å; D42-H64 IonicContact OD1-CG 3.08Å; D42-H64 IonicContact OD1-ND1 3.46Å; D42-H64 PolarHBondContact OD1-ND1 2.93Å; D42-H64 VanDerWaalsContact OD1-ND1 3.15Å; D42-H64 WeakPolarHBondContact OD2-CA 3.48Å; D42-H64 IonicContact OD2-ND1 3.01Å; D42-A65 HydrophobicContact CB-CB 4.21Å; D42-A65 VanDerWaalsContact CG-N 3.34Å; D42-A65 PolarHBondContact N-O 3.46Å; D42-A65 PolarHBondContact OD2-N 3.23Å
43	C	89.2	Confident	91.1	Very high	14 Å²	14	56.8 Å²	56.8	10%	0.095	30%	0.295	C	S	.	.	S	Bend	trans	-130.5	156.6	-175.4	61.4	0	0	0	0	112.2	L41 L48 H64	L41-C43 WeakPolarHBondContact CB-O 3.48Å; L41-C43 PolarHBondContact O-N 3.42Å; C43-L48 WeakPolarHBondContact SG-CD2 3.2Å; C43-H64 PolarHBondContact SG-ND1 3.11Å; C43-H64 VanDerWaalsContact SG-ND1 3.41Å
44	Q	90	Very high	91	Very high	64 Å²	64	54.2 Å²	54.2	30%	0.299	28%	0.282	S	S	.	.			trans	-72.4	132	171.2	-65.5	177.6	-8.3	0	0	109.9	H28 Y30 E46 K47	H28-Q44 WeakPolarHBondContact NE2-CG 3.45Å; H28-Q44 PolarHBondContact NE2-NE2 3.32Å; Y30-Q44 WeakPolarHBondContact OH-CA 3.48Å; Q44-E46 PolarHBondContact O-N 2.91Å; Q44-K47 HydrophobicContact CB-CD 4.44Å; Q44-K47 HydrophobicContact CB-CG 4.31Å; Q44-K47 WeakPolarHBondContact O-CB 3.34Å; Q44-K47 PolarHBondContact O-N 3.45Å
45	L	90.9	Very high	91.1	Very high	31 Å²	31	59.8 Å²	59.8	16%	0.162	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-46.8	-35.2	176.8	-172.3	64.4	0	0	0	114.2	Y30 K47 L48 R57 I114 V119	Y30-L45 HydrophobicContact CD1-CD2 4.42Å; Y30-L45 HydrophobicContact CE1-CB 3.69Å; Y30-L45 HydrophobicContact CE1-CD2 4.05Å; Y30-L45 HydrophobicContact CE1-CG 4.46Å; Y30-L45 WeakPolarHBondContact OH-CB 3.39Å; Y30-L45 PolarHBondContact OH-N 3.26Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.47Å; L45-L48 HydrophobicContact CD1-CD1 4.16Å; L45-L48 WeakPolarHBondContact O-CB 3.31Å; L45-L48 PolarHBondContact O-N 3.33Å; L45-R57 HydrophobicContact CD1-CB 3.78Å; L45-R57 HydrophobicContact CD1-CG 3.8Å; L45-R57 HydrophobicContact CG-CG 4.06Å; L45-R57 WeakPolarHBondContact O-CD 3.21Å; L45-I114 HydrophobicContact CD1-CD1 3.28Å; L45-V119 HydrophobicContact CD1-CG2 4.49Å; L45-V119 HydrophobicContact CD2-CG2 3.73Å
46	E	89.6	Confident	91.4	Very high	125 Å²	125	58.3 Å²	58.3	58%	0.584	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-66.8	-29.5	178.2	-69.6	161.6	-148.3	0	0	113.4	Q44 L48 R57	Q44-E46 PolarHBondContact O-N 2.91Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-R57 PolarHBondContact O-NH1 2.96Å
47	K	90.3	Very high	91.6	Very high	158 Å²	158	59.4 Å²	59.4	69%	0.687	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-79.9	-16.6	178.2	-61.8	-176.1	179.1	-178.2	0	112.6	Q44 L45	Q44-K47 HydrophobicContact CB-CD 4.44Å; Q44-K47 HydrophobicContact CB-CG 4.31Å; Q44-K47 WeakPolarHBondContact O-CB 3.34Å; Q44-K47 PolarHBondContact O-N 3.45Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.47Å
48	L	92.6	Very high	91.8	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-70	142.5	177.4	-70.8	178.4	0	0	0	110.7	L41 C43 L45 E46 M50 R57 I59 H64 I114	L41-L48 HydrophobicContact CD1-CD1 4.01Å; C43-L48 WeakPolarHBondContact SG-CD2 3.2Å; L45-L48 HydrophobicContact CD1-CD1 4.16Å; L45-L48 WeakPolarHBondContact O-CB 3.31Å; L45-L48 PolarHBondContact O-N 3.33Å; E46-L48 VanDerWaalsContact C-N 3.34Å; L48-M50 PolarHBondContact O-N 2.88Å; L48-R57 HydrophobicContact CB-CB 4.29Å; L48-R57 PolarHBondContact O-NH1 3.22Å; L48-I59 HydrophobicContact CD1-CG1 3.77Å; L48-H64 VanDerWaalsContact CD2-CD2 3.44Å; L48-H64 WeakPolarHBondContact CD2-CD2 3.34Å; L48-I114 HydrophobicContact CD1-CD1 4.17Å
49	P	93.9	Very high	91.8	Very high	79 Å²	79	57.2 Å²	57.2	51%	0.513	28%	0.275	S	S	.	.			trans	-53.9	141.4	174.4	-23.2	32.4	0	0	0	111.1	R57 V58	P49-R57 WeakPolarHBondContact O-CA 3.47Å; P49-V58 HydrophobicContact CB-CB 4.26Å; P49-V58 WeakPolarHBondContact O-CG2 3.33Å; P49-V58 PolarHBondContact O-N 3.22Å
50	M	93.4	Very high	91.7	Very high	103 Å²	103	59 Å²	59	51%	0.507	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-106.1	128.7	177.4	-173.1	174.8	65.8	0	0	109.2	L48 R55	L48-M50 PolarHBondContact O-N 2.88Å; M50-R55 HydrophobicContact CG-CB 4.37Å; M50-R55 HydrophobicContact SD-CB 4.05Å
51	R	92.1	Very high	91.5	Very high	41 Å²	41	60.3 Å²	60.3	16%	0.155	30%	0.298	C	S	.	.			trans	-76.7	124.8	175.4	-172.8	-179.6	-174.2	-158.9	3.6	109.2	R53 D54 R55 S56 V58 R81 E86 Y102	R51-R53 HydrophobicContact CG-CB 4.38Å; R51-R53 PolarHBondContact O-N 3.22Å; R51-D54 WeakPolarHBondContact CD-OD1 3.31Å; R51-D54 IonicContact CZ-OD2 3.22Å; R51-D54 IonicContact NH1-OD2 3.65Å; R51-D54 PolarHBondContact NH1-OD2 3.49Å; R51-R55 WeakPolarHBondContact O-CA 3.34Å; R51-R55 PolarHBondContact O-N 3.44Å; R51-S56 PolarHBondContact N-O 3.5Å; R51-V58 HydrophobicContact CB-CG2 4.19Å; R51-R81 VanDerWaalsContact NH1-NH2 3.16Å; R51-E86 IonicContact CZ-OE1 3.49Å; R51-E86 IonicContact CZ-OE2 3.6Å; R51-E86 IonicContact NH1-OE1 3.2Å; R51-E86 PolarHBondContact NH1-OE1 2.83Å; R51-E86 IonicContact NH1-OE2 3.66Å; R51-E86 PolarHBondContact NH1-OE2 3.1Å; R51-E86 IonicContact NH2-OE1 2.97Å; R51-E86 IonicContact NH2-OE2 3.82Å; R51-E86 PolarHBondContact NH2-OE2 3.28Å; R51-Y102 PolarHBondContact NH1-OH 3.4Å
52	P	88.3	Confident	91.4	Very high	120 Å²	120	64.7 Å²	64.7	78%	0.779	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.8	-175.8	24.6	-34	0	0	0	113.9
53	R	86.8	Confident	91.4	Very high	122 Å²	122	70.4 Å²	70.4	46%	0.46	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-33.2	-173.4	-59.7	-175.4	-175.4	-146.7	-9.3	114.1	R51 E83	R51-R53 HydrophobicContact CG-CB 4.38Å; R51-R53 PolarHBondContact O-N 3.22Å; R53-E83 IonicContact CZ-OE1 3.5Å; R53-E83 IonicContact CZ-OE2 3.87Å; R53-E83 IonicContact NH1-OE1 3.7Å; R53-E83 IonicContact NH1-OE2 2.71Å; R53-E83 PolarHBondContact NH1-OE2 2.79Å; R53-E83 IonicContact NH2-OE1 3.06Å; R53-E83 PolarHBondContact NH2-OE1 3.43Å; R53-E83 IonicContact NH2-OE2 3.89Å; R53-E83 PolarHBondContact NH2-OE2 3.17Å
54	D	88.7	Confident	91.5	Very high	39 Å²	39	71.9 Å²	71.9	21%	0.209	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	8.6	-172.6	48.2	27.8	0	0	0	112.6	R51 S56 R81 Y102	R51-D54 WeakPolarHBondContact CD-OD1 3.31Å; R51-D54 IonicContact CZ-OD2 3.22Å; R51-D54 IonicContact NH1-OD2 3.65Å; R51-D54 PolarHBondContact NH1-OD2 3.49Å; D54-S56 VanDerWaalsContact CG-OG 3.25Å; D54-S56 PolarHBondContact O-N 2.91Å; D54-S56 WeakPolarHBondContact OD1-CB 3.45Å; D54-S56 PolarHBondContact OD1-N 2.97Å; D54-S56 VanDerWaalsContact OD1-N 3.11Å; D54-S56 PolarHBondContact OD1-OG 3.28Å; D54-R81 IonicContact OD2-CZ 2.87Å; D54-R81 IonicContact OD2-NH1 3.79Å; D54-R81 IonicContact OD2-NH2 3.56Å; D54-R81 PolarHBondContact OD2-NH2 2.89Å; D54-Y102 VanDerWaalsContact CG-OH 3.3Å; D54-Y102 PolarHBondContact OD1-OH 3.25Å; D54-Y102 PolarHBondContact OD2-OH 3.49Å
55	R	91.6	Very high	91.5	Very high	153 Å²	153	71.9 Å²	71.9	58%	0.577	37%	0.374	S	S	*	.			trans	54.9	18.4	-176	-52	-171.2	-55.2	-158.1	0.8	114.3	M50 R51 D116	M50-R55 HydrophobicContact CG-CB 4.37Å; M50-R55 HydrophobicContact SD-CB 4.05Å; R51-R55 WeakPolarHBondContact O-CA 3.34Å; R51-R55 PolarHBondContact O-N 3.44Å; R55-D116 HydrophobicContact CB-CB 4.39Å; R55-D116 IonicContact CZ-OD2 3.34Å; R55-D116 IonicContact NE-OD2 3.07Å; R55-D116 PolarHBondContact NE-OD2 2.95Å; R55-D116 IonicContact NH2-OD2 2.81Å; R55-D116 PolarHBondContact NH2-OD2 2.85Å
56	S	93.5	Very high	91.6	Very high	4 Å²	4	73.1 Å²	73.1	3%	0.028	38%	0.379	C	S	.	.			trans	-69.4	138.9	178.6	-61.2	0	0	0	0	110.4	R51 D54 Y102 I114	R51-S56 PolarHBondContact N-O 3.5Å; D54-S56 VanDerWaalsContact CG-OG 3.25Å; D54-S56 PolarHBondContact O-N 2.91Å; D54-S56 WeakPolarHBondContact OD1-CB 3.45Å; D54-S56 PolarHBondContact OD1-N 2.97Å; D54-S56 VanDerWaalsContact OD1-N 3.11Å; D54-S56 PolarHBondContact OD1-OG 3.28Å; S56-Y102 WeakPolarHBondContact CB-OH 3.33Å; S56-Y102 WeakPolarHBondContact OG-CE1 3.16Å; S56-Y102 PolarHBondContact OG-OH 3.31Å; S56-I114 CarbonylContact C-O 3.59Å; S56-I114 WeakPolarHBondContact CA-O 3.5Å; S56-I114 WeakPolarHBondContact CB-O 3.38Å
57	R	94.7	Very high	91.8	Very high	67 Å²	67	74 Å²	74	25%	0.253	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	141.8	173.5	-64.9	-67.7	-177.3	159.4	3.7	109.7	L45 E46 L48 P49 F113 I114	L45-R57 HydrophobicContact CD1-CB 3.78Å; L45-R57 HydrophobicContact CD1-CG 3.8Å; L45-R57 HydrophobicContact CG-CG 4.06Å; L45-R57 WeakPolarHBondContact O-CD 3.21Å; E46-R57 PolarHBondContact O-NH1 2.96Å; L48-R57 HydrophobicContact CB-CB 4.29Å; L48-R57 PolarHBondContact O-NH1 3.22Å; P49-R57 WeakPolarHBondContact O-CA 3.47Å; R57-F113 CarbonylContact O-C 3.59Å; R57-F113 WeakPolarHBondContact O-CA 3.26Å; R57-I114 HydrophobicContact CB-CB 4.23Å; R57-I114 HydrophobicContact CB-CD1 4.13Å; R57-I114 PolarHBondContact N-O 3.44Å; R57-I114 VanDerWaalsContact N-O 3.13Å; R57-I114 PolarHBondContact O-N 3.14Å
58	V	94.9	Very high	91.9	Very high	25 Å²	25	68.5 Å²	68.5	15%	0.152	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.9	-170.8	-172.5	0	0	0	0	109.4	P49 R51 V111 F113	P49-V58 HydrophobicContact CB-CB 4.26Å; P49-V58 WeakPolarHBondContact O-CG2 3.33Å; P49-V58 PolarHBondContact O-N 3.22Å; R51-V58 HydrophobicContact CB-CG2 4.19Å; V58-V111 HydrophobicContact CG1-CG1 3.22Å; V58-F113 HydrophobicContact CG1-CD1 4.4Å; V58-F113 HydrophobicContact CG1-CE1 4.1Å; V58-F113 HydrophobicContact CG2-CD1 3.83Å; V58-F113 HydrophobicContact CG2-CE1 3.81Å
59	I	94.5	Very high	91.9	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.3	169.7	-58.3	163.3	0	0	0	108.1	L39 L41 L48 H64 H66 F68 V111 T112 I114	L39-I59 HydrophobicContact CD1-CD1 4.09Å; L39-I59 HydrophobicContact CD2-CD1 4.21Å; L41-I59 HydrophobicContact CD1-CD1 4.45Å; L41-I59 HydrophobicContact CD2-CD1 4.05Å; L41-I59 HydrophobicContact CD2-CG1 4.1Å; L41-I59 HydrophobicContact CD2-CG2 4.23Å; L48-I59 HydrophobicContact CD1-CG1 3.77Å; I59-H64 HydrophobicContact CG2-CB 4.47Å; I59-H66 HydrophobicContact CG2-CB 4.16Å; I59-F68 HydrophobicContact CD1-CE1 4.11Å; I59-F68 HydrophobicContact CD1-CZ 4.09Å; I59-V111 WeakPolarHBondContact O-CA 3.13Å; I59-T112 PolarHBondContact N-O 3.14Å; I59-T112 PolarHBondContact O-N 3.43Å; I59-I114 HydrophobicContact CD1-CD1 3.58Å; I59-I114 HydrophobicContact CD1-CG1 3.69Å; I59-I114 HydrophobicContact CG1-CD1 3.77Å; I59-I114 HydrophobicContact CG1-CG1 4.06Å
60	D	93.1	Very high	91.8	Very high	38 Å²	38	69 Å²	69	20%	0.203	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.3	171.4	-175.5	-12.5	0	0	0	108.8	A62 K63 H64	D60-A62 PolarHBondContact O-N 3.34Å; D60-A62 WeakPolarHBondContact OD1-CB 3.49Å; D60-A62 PolarHBondContact OD1-N 2.97Å; D60-A62 VanDerWaalsContact OD1-N 3.07Å; D60-K63 HydrophobicContact CB-CB 4.27Å; D60-K63 HydrophobicContact CB-CD 4.26Å; D60-K63 HydrophobicContact CB-CG 4.33Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 VanDerWaalsContact O-N 3.11Å; D60-K63 WeakPolarHBondContact OD2-CD 3.32Å; D60-K63 VanDerWaalsContact OD2-CE 3.28Å; D60-K63 WeakPolarHBondContact OD2-CE 3.44Å; D60-K63 IonicContact OD2-NZ 3.15Å; D60-H64 PolarHBondContact O-N 2.99Å
61	A	90.5	Very high	91.8	Very high	52 Å²	52	65.7 Å²	65.7	43%	0.43	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	-177	0	0	0	0	0	113.2	P110	A61-P110 WeakPolarHBondContact CB-O 3.34Å; A61-P110 PolarHBondContact N-O 3.36Å
62	A	90.4	Very high	91.9	Very high	92 Å²	92	68.2 Å²	68.2	76%	0.76	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.9	177.9	0	0	0	0	0	113.1	D60	D60-A62 PolarHBondContact O-N 3.34Å; D60-A62 WeakPolarHBondContact OD1-CB 3.49Å; D60-A62 PolarHBondContact OD1-N 2.97Å; D60-A62 VanDerWaalsContact OD1-N 3.07Å
63	K	90.3	Very high	92	Very high	148 Å²	148	68.1 Å²	68.1	64%	0.643	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-30.4	-174.6	-64.3	179.5	-175.1	168.2	0	113.5	D60	D60-K63 HydrophobicContact CB-CB 4.27Å; D60-K63 HydrophobicContact CB-CD 4.26Å; D60-K63 HydrophobicContact CB-CG 4.33Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 VanDerWaalsContact O-N 3.11Å; D60-K63 WeakPolarHBondContact OD2-CD 3.32Å; D60-K63 VanDerWaalsContact OD2-CE 3.28Å; D60-K63 WeakPolarHBondContact OD2-CE 3.44Å; D60-K63 IonicContact OD2-NZ 3.15Å
64	H	90.2	Very high	92	Very high	45 Å²	45	65 Å²	65	21%	0.208	34%	0.34	C	S	.	.			trans	-126.7	121.9	-170.6	-66.9	-58.6	0	0	0	111.2	D42 C43 L48 I59 D60 H66	D42-H64 WeakPolarHBondContact OD1-CB 3.24Å; D42-H64 IonicContact OD1-CG 3.08Å; D42-H64 IonicContact OD1-ND1 3.46Å; D42-H64 PolarHBondContact OD1-ND1 2.93Å; D42-H64 VanDerWaalsContact OD1-ND1 3.15Å; D42-H64 WeakPolarHBondContact OD2-CA 3.48Å; D42-H64 IonicContact OD2-ND1 3.01Å; C43-H64 PolarHBondContact SG-ND1 3.11Å; C43-H64 VanDerWaalsContact SG-ND1 3.41Å; L48-H64 VanDerWaalsContact CD2-CD2 3.44Å; L48-H64 WeakPolarHBondContact CD2-CD2 3.34Å; I59-H64 HydrophobicContact CG2-CB 4.47Å; D60-H64 PolarHBondContact O-N 2.99Å; H64-H66 PolarHBondContact O-N 3.06Å; H64-H66 PolarHBondContact O-ND1 3.17Å
65	A	91.1	Very high	91.8	Very high	65 Å²	65	71.1 Å²	71.1	54%	0.537	37%	0.367	S	S	.	.			trans	-68.5	124.3	168.6	0	0	0	0	0	108.8	D42	D42-A65 HydrophobicContact CB-CB 4.21Å; D42-A65 VanDerWaalsContact CG-N 3.34Å; D42-A65 PolarHBondContact N-O 3.46Å; D42-A65 PolarHBondContact OD2-N 3.23Å
66	H	92.6	Very high	91.8	Very high	57 Å²	57	66.3 Å²	66.3	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.3	-177.2	67.2	-82.1	0	0	0	111.4	L39 V40 L41 I59 H64 F68	L39-H66 HydrophobicContact CD1-CB 4.47Å; V40-H66 CarbonylContact O-C 3.51Å; V40-H66 VanDerWaalsContact O-CA 3.22Å; V40-H66 WeakPolarHBondContact O-CA 3.33Å; L41-H66 HydrophobicContact CD2-CB 3.47Å; L41-H66 VanDerWaalsContact CD2-CB 3.47Å; L41-H66 HydrophobicContact CG-CB 4.44Å; I59-H66 HydrophobicContact CG2-CB 4.16Å; H64-H66 PolarHBondContact O-N 3.06Å; H64-H66 PolarHBondContact O-ND1 3.17Å; H66-F68 AromaticContact CD2-CE2 3.32Å; H66-F68 WeakPolarHBondContact CD2-CE2 3.39Å; H66-F68 AromaticContact CD2-CZ 3.55Å; H66-F68 AromaticContact NE2-CE2 3.48Å; H66-F68 WeakPolarHBondContact NE2-CE2 3.35Å; H66-F68 AromaticContact NE2-CZ 3.93Å
67	K	93.4	Very high	91.7	Very high	142 Å²	142	68.8 Å²	68.8	62%	0.617	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.5	174.9	-173.2	178.3	179.3	178.3	0	109.6	L39 V40	L39-K67 WeakPolarHBondContact CA-O 3.06Å; V40-K67 HydrophobicContact CB-CB 4.32Å; V40-K67 PolarHBondContact N-O 3.43Å; V40-K67 PolarHBondContact O-N 3.15Å
68	F	93.2	Very high	91.5	Very high	44 Å²	44	72.9 Å²	72.9	19%	0.193	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.1	169.6	-57.9	-67.8	0	0	0	109.3	L39 I59 H66 T71 F101 T112	L39-F68 HydrophobicContact CD1-CD1 3.83Å; L39-F68 HydrophobicContact CD1-CE1 3.71Å; I59-F68 HydrophobicContact CD1-CE1 4.11Å; I59-F68 HydrophobicContact CD1-CZ 4.09Å; H66-F68 AromaticContact CD2-CE2 3.32Å; H66-F68 WeakPolarHBondContact CD2-CE2 3.39Å; H66-F68 AromaticContact CD2-CZ 3.55Å; H66-F68 AromaticContact NE2-CE2 3.48Å; H66-F68 WeakPolarHBondContact NE2-CE2 3.35Å; H66-F68 AromaticContact NE2-CZ 3.93Å; F68-T71 HydrophobicContact CB-CG2 4.41Å; F68-F101 HydrophobicContact CD1-CD1 4.41Å; F68-F101 AromaticContact CD1-CD2 3.71Å; F68-F101 HydrophobicContact CD1-CD2 3.71Å; F68-F101 HydrophobicContact CD1-CE1 4.34Å; F68-F101 AromaticContact CD1-CE2 3.6Å; F68-F101 HydrophobicContact CD1-CE2 3.6Å; F68-F101 HydrophobicContact CD1-CG 4.14Å; F68-F101 AromaticContact CD1-CZ 3.95Å; F68-F101 HydrophobicContact CD1-CZ 3.95Å; F68-F101 AromaticContact CE1-CD1 3.84Å; F68-F101 HydrophobicContact CE1-CD1 3.84Å; F68-F101 AromaticContact CE1-CD2 3.91Å; F68-F101 HydrophobicContact CE1-CD2 3.91Å; F68-F101 AromaticContact CE1-CE1 3.97Å; F68-F101 HydrophobicContact CE1-CE1 3.97Å; F68-F101 HydrophobicContact CE1-CE2 4.01Å; F68-F101 AromaticContact CE1-CG 3.83Å; F68-F101 HydrophobicContact CE1-CG 3.83Å; F68-F101 HydrophobicContact CE1-CZ 4.06Å; F68-T112 HydrophobicContact CE1-CG2 4.24Å; F68-T112 HydrophobicContact CE2-CG2 4.27Å; F68-T112 HydrophobicContact CZ-CG2 3.57Å
69	C	92.5	Very high	91.4	Very high	17 Å²	17	74.3 Å²	74.3	12%	0.115	39%	0.39	C	S	.	.			trans	-125.5	145.3	179.9	-63	0	0	0	0	108.2	M37 V38 T71	M37-C69 HydrophobicContact CE-CB 3.99Å; V38-C69 VanDerWaalsContact CA-O 3.24Å; V38-C69 WeakPolarHBondContact CA-O 3.43Å; V38-C69 PolarHBondContact O-N 3.47Å; C69-T71 PolarHBondContact O-N 2.78Å
70	N	92.1	Very high	91.3	Very high	75 Å²	75	85.6 Å²	85.6	40%	0.401	43%	0.432	S	S	.	.	S	Bend	trans	53.5	32	171.3	-53.8	-28.1	0	0	0	115.2	Q36 M37 A94	Q36-N70 HydrophobicContact CG-CB 3.81Å; Q36-N70 VanDerWaalsContact CG-ND2 3.3Å; Q36-N70 WeakPolarHBondContact CG-ND2 3.33Å; Q36-N70 PolarHBondContact NE2-ND2 3.19Å; M37-N70 PolarHBondContact O-ND2 2.9Å; N70-A94 WeakPolarHBondContact O-CB 3.47Å; N70-A94 PolarHBondContact O-N 3.21Å
71	T	93	Very high	91.1	Very high	33 Å²	33	86 Å²	86	20%	0.202	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.1	175.6	53.7	0	0	0	0	109.7	F68 C69 K92 L100 F101	F68-T71 HydrophobicContact CB-CG2 4.41Å; C69-T71 PolarHBondContact O-N 2.78Å; T71-K92 CarbonylContact C-O 3.54Å; T71-K92 VanDerWaalsContact CA-O 3.3Å; T71-K92 WeakPolarHBondContact CA-O 3.28Å; T71-L100 HydrophobicContact CG2-CD1 4.17Å; T71-F101 HydrophobicContact CG2-CD2 3.77Å; T71-F101 HydrophobicContact CG2-CE2 3.57Å
72	E	93.7	Very high	91	Very high	94 Å²	94	90.2 Å²	90.2	44%	0.439	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.1	170.9	-68.1	176.6	176.4	0	0	109.6	K91 K92 A94	E72-K91 CarbonylContact O-C 3.59Å; E72-K91 VanDerWaalsContact O-CA 3.22Å; E72-K91 WeakPolarHBondContact O-CA 3.38Å; E72-K92 HydrophobicContact CB-CG 4.16Å; E72-K92 PolarHBondContact N-O 2.95Å; E72-K92 PolarHBondContact O-N 3.36Å; E72-A94 HydrophobicContact CG-CB 3.97Å
73	D	91.5	Very high	90.8	Very high	118 Å²	118	92.5 Å²	92.5	63%	0.631	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	133.7	173.1	-63	-35.4	0	0	0	109.2	K91	D73-K91 VanDerWaalsContact OD1-CD 3.32Å; D73-K91 WeakPolarHBondContact OD1-CD 3.43Å; D73-K91 WeakPolarHBondContact OD1-CE 3.29Å; D73-K91 WeakPolarHBondContact OD1-CG 3.42Å; D73-K91 IonicContact OD1-NZ 3.82Å; D73-K91 PolarHBondContact OD1-NZ 2.92Å
74	E	86.6	Confident	90.8	Very high	57 Å²	57	87.2 Å²	87.2	27%	0.266	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	169.4	178.8	-173.6	169.4	-135.3	0	0	110.4	R90 K92	E74-R90 HydrophobicContact CB-CB 4.17Å; E74-R90 WeakPolarHBondContact CB-O 3.33Å; E74-R90 PolarHBondContact N-O 3.37Å; E74-K92 HydrophobicContact CB-CD 4.26Å; E74-K92 HydrophobicContact CB-CG 4.38Å; E74-K92 HydrophobicContact CG-CD 4.32Å
75	E	85.4	Confident	90.9	Very high	166 Å²	166	91.1 Å²	91.1	78%	0.776	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	149.4	174.3	-67	-178	-176.3	0	0	112.5	M77	E75-M77 PolarHBondContact O-N 3.17Å
76	T	90.1	Very high	90.9	Very high	53 Å²	53	89.8 Å²	89.8	33%	0.325	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	120.5	176.9	-54.5	0	0	0	0	109.5	Y78 R87 Q88 Y89	T76-Y78 HydrophobicContact CG2-CE2 4.29Å; T76-R87 HydrophobicContact CG2-CG 3.44Å; T76-R87 VanDerWaalsContact CG2-CG 3.44Å; T76-Q88 WeakPolarHBondContact CA-O 3.35Å; T76-Y89 HydrophobicContact CG2-CD1 3.98Å; T76-Y89 HydrophobicContact CG2-CE1 3.68Å; T76-Y89 VanDerWaalsContact OG1-CD1 3.3Å; T76-Y89 WeakPolarHBondContact OG1-CD1 3.48Å; T76-Y89 WeakPolarHBondContact OG1-CE1 3.09Å
77	M	91.2	Very high	90.8	Very high	56 Å²	56	92.4 Å²	92.4	28%	0.276	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.9	177.2	-69.5	-167.6	-146.9	0	0	111.8	E75 Q88 R90	E75-M77 PolarHBondContact O-N 3.17Å; M77-Q88 PolarHBondContact N-O 2.87Å; M77-Q88 PolarHBondContact O-N 3.3Å; M77-R90 HydrophobicContact CE-CG 4.22Å; M77-R90 PolarHBondContact SD-NH1 3.16Å
78	Y	92	Very high	90.8	Very high	153 Å²	153	85.9 Å²	85.9	60%	0.6	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.7	174	-63	-89.3	0	0	0	108.9	T76 I85 R87	T76-Y78 HydrophobicContact CG2-CE2 4.29Å; Y78-I85 HydrophobicContact CD1-CG2 4.03Å; Y78-I85 HydrophobicContact CG-CG2 4.46Å; Y78-R87 HydrophobicContact CD1-CB 4.15Å; Y78-R87 HydrophobicContact CD1-CG 4.12Å; Y78-R87 HydrophobicContact CE1-CB 4.06Å; Y78-R87 HydrophobicContact CE1-CG 3.68Å
79	L	91.6	Very high	90.8	Very high	55 Å²	55	85.8 Å²	85.8	29%	0.288	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	177.4	-65.9	-176.2	0	0	0	110.2	R81 I85 E86 Q88	L79-R81 PolarHBondContact O-N 3.28Å; L79-I85 CarbonylContact O-C 3.51Å; L79-I85 WeakPolarHBondContact O-CA 3.27Å; L79-E86 PolarHBondContact N-O 3.28Å; L79-E86 PolarHBondContact O-N 3.34Å; L79-Q88 HydrophobicContact CD1-CG 4.35Å; L79-Q88 VanDerWaalsContact CD1-NE2 3.34Å; L79-Q88 VanDerWaalsContact CD1-OE1 3.29Å
80	R	92.1	Very high	90.9	Very high	238 Å²	238	87.2 Å²	87.2	90%	0.898	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.4	170.9	-170.7	175.9	-179	177.8	0.8	109.4
81	R	88.7	Confident	91	Very high	47 Å²	47	85.4 Å²	85.4	18%	0.177	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	164.3	174.7	-66.3	-159	-168.6	-117.8	14.2	109.8	R51 D54 L79 E83 G84 E86	R51-R81 VanDerWaalsContact NH1-NH2 3.16Å; D54-R81 IonicContact OD2-CZ 2.87Å; D54-R81 IonicContact OD2-NH1 3.79Å; D54-R81 IonicContact OD2-NH2 3.56Å; D54-R81 PolarHBondContact OD2-NH2 2.89Å; L79-R81 PolarHBondContact O-N 3.28Å; R81-E83 PolarHBondContact O-N 3.32Å; R81-G84 CarbonylContact C-O 3.56Å; R81-G84 WeakPolarHBondContact CA-O 3.46Å; R81-G84 WeakPolarHBondContact CB-O 3.45Å; R81-G84 PolarHBondContact N-O 3.18Å; R81-G84 PolarHBondContact O-N 2.97Å; R81-E86 WeakPolarHBondContact CD-OE2 3.27Å; R81-E86 HydrophobicContact CG-CB 4.49Å; R81-E86 IonicContact CZ-OE1 2.67Å; R81-E86 IonicContact CZ-OE2 2.9Å; R81-E86 IonicContact NE-OE1 2.66Å; R81-E86 IonicContact NE-OE2 3.1Å; R81-E86 PolarHBondContact NE-OE2 3.47Å; R81-E86 IonicContact NH2-OE1 2.76Å; R81-E86 PolarHBondContact NH2-OE1 3.47Å; R81-E86 IonicContact NH2-OE2 3.83Å; R81-E86 PolarHBondContact NH2-OE2 3.39Å; R81-E86 VanDerWaalsContact NH2-OE2 3.1Å
82	P	89.1	Confident	91.1	Very high	139 Å²	139	86.7 Å²	86.7	90%	0.903	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.6	177.7	21.3	-34	0	0	0	113.7
83	E	87.1	Confident	91.2	Very high	141 Å²	141	82.2 Å²	82.2	66%	0.659	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.5	-179.8	-63	174.3	-166.1	0	0	114	R53 R81	R53-E83 IonicContact CZ-OE1 3.5Å; R53-E83 IonicContact CZ-OE2 3.87Å; R53-E83 IonicContact NH1-OE1 3.7Å; R53-E83 IonicContact NH1-OE2 2.71Å; R53-E83 PolarHBondContact NH1-OE2 2.79Å; R53-E83 IonicContact NH2-OE1 3.06Å; R53-E83 PolarHBondContact NH2-OE1 3.43Å; R53-E83 IonicContact NH2-OE2 3.89Å; R53-E83 PolarHBondContact NH2-OE2 3.17Å; R81-E83 PolarHBondContact O-N 3.32Å
84	G	90.4	Very high	91.3	Very high	37 Å²	37	78.6 Å²	78.6	38%	0.381	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-166.2	-175.3	0	0	0	0	0	113.6	R81	R81-G84 CarbonylContact C-O 3.56Å; R81-G84 WeakPolarHBondContact CA-O 3.46Å; R81-G84 WeakPolarHBondContact CB-O 3.45Å; R81-G84 PolarHBondContact N-O 3.18Å; R81-G84 PolarHBondContact O-N 2.97Å
85	I	90.8	Very high	91.6	Very high	126 Å²	126	82.6 Å²	82.6	65%	0.646	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.5	179.2	-59	173.9	0	0	0	108.9	Y78 L79	Y78-I85 HydrophobicContact CD1-CG2 4.03Å; Y78-I85 HydrophobicContact CG-CG2 4.46Å; L79-I85 CarbonylContact O-C 3.51Å; L79-I85 WeakPolarHBondContact O-CA 3.27Å
86	E	91.2	Very high	92	Very high	37 Å²	37	77.9 Å²	77.9	17%	0.173	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.1	173.1	-177.7	174.8	135.4	0	0	109.8	R51 L79 R81 Q88	R51-E86 IonicContact CZ-OE1 3.49Å; R51-E86 IonicContact CZ-OE2 3.6Å; R51-E86 IonicContact NH1-OE1 3.2Å; R51-E86 PolarHBondContact NH1-OE1 2.83Å; R51-E86 IonicContact NH1-OE2 3.66Å; R51-E86 PolarHBondContact NH1-OE2 3.1Å; R51-E86 IonicContact NH2-OE1 2.97Å; R51-E86 IonicContact NH2-OE2 3.82Å; R51-E86 PolarHBondContact NH2-OE2 3.28Å; L79-E86 PolarHBondContact N-O 3.28Å; L79-E86 PolarHBondContact O-N 3.34Å; R81-E86 WeakPolarHBondContact CD-OE2 3.27Å; R81-E86 HydrophobicContact CG-CB 4.49Å; R81-E86 IonicContact CZ-OE1 2.67Å; R81-E86 IonicContact CZ-OE2 2.9Å; R81-E86 IonicContact NE-OE1 2.66Å; R81-E86 IonicContact NE-OE2 3.1Å; R81-E86 PolarHBondContact NE-OE2 3.47Å; R81-E86 IonicContact NH2-OE1 2.76Å; R81-E86 PolarHBondContact NH2-OE1 3.47Å; R81-E86 IonicContact NH2-OE2 3.83Å; R81-E86 PolarHBondContact NH2-OE2 3.39Å; R81-E86 VanDerWaalsContact NH2-OE2 3.1Å; E86-Q88 HydrophobicContact CG-CG 4.1Å; E86-Q88 PolarHBondContact OE1-NE2 2.88Å
87	R	91.5	Very high	92.1	Very high	113 Å²	113	76.9 Å²	76.9	43%	0.426	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.1	171.7	-172.4	175.8	63.9	-172.9	2.8	109.8	T76 Y78 Y89	T76-R87 HydrophobicContact CG2-CG 3.44Å; T76-R87 VanDerWaalsContact CG2-CG 3.44Å; Y78-R87 HydrophobicContact CD1-CB 4.15Å; Y78-R87 HydrophobicContact CD1-CG 4.12Å; Y78-R87 HydrophobicContact CE1-CB 4.06Å; Y78-R87 HydrophobicContact CE1-CG 3.68Å; R87-Y89 HydrophobicContact CG-CE2 4.19Å; R87-Y89 PolarHBondContact NE-OH 2.97Å; R87-Y89 PolarHBondContact NH2-OH 2.94Å
88	Q	93	Very high	92.2	Very high	4 Å²	4	76.8 Å²	76.8	2%	0.019	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.4	-179.6	-64.7	-170.2	-19.8	0	0	110.8	T76 M77 L79 E86 R90 Y102	T76-Q88 WeakPolarHBondContact CA-O 3.35Å; M77-Q88 PolarHBondContact N-O 2.87Å; M77-Q88 PolarHBondContact O-N 3.3Å; L79-Q88 HydrophobicContact CD1-CG 4.35Å; L79-Q88 VanDerWaalsContact CD1-NE2 3.34Å; L79-Q88 VanDerWaalsContact CD1-OE1 3.29Å; E86-Q88 HydrophobicContact CG-CG 4.1Å; E86-Q88 PolarHBondContact OE1-NE2 2.88Å; Q88-R90 HydrophobicContact CB-CG 4.36Å; Q88-R90 VanDerWaalsContact OE1-NE 3.14Å; Q88-Y102 HydrophobicContact CB-CD2 4.41Å; Q88-Y102 HydrophobicContact CG-CD2 4.02Å
89	Y	93.8	Very high	92.3	Very high	42 Å²	42	71.5 Å²	71.5	17%	0.165	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	102.1	168.8	-62.2	-85.1	0	0	0	107.8	T76 R87 Y102 Q103 S104 P106	T76-Y89 HydrophobicContact CG2-CD1 3.98Å; T76-Y89 HydrophobicContact CG2-CE1 3.68Å; T76-Y89 VanDerWaalsContact OG1-CD1 3.3Å; T76-Y89 WeakPolarHBondContact OG1-CD1 3.48Å; T76-Y89 WeakPolarHBondContact OG1-CE1 3.09Å; R87-Y89 HydrophobicContact CG-CE2 4.19Å; R87-Y89 PolarHBondContact NE-OH 2.97Å; R87-Y89 PolarHBondContact NH2-OH 2.94Å; Y89-Y102 CarbonylContact O-C 3.59Å; Y89-Y102 WeakPolarHBondContact O-CA 3.39Å; Y89-Q103 PolarHBondContact N-O 2.86Å; Y89-Q103 PolarHBondContact O-N 2.88Å; Y89-S104 WeakPolarHBondContact CE2-O 3.48Å; Y89-P106 HydrophobicContact CD1-CB 3.84Å; Y89-P106 HydrophobicContact CE1-CB 3.61Å; Y89-P106 HydrophobicContact CE1-CG 4.14Å; Y89-P106 HydrophobicContact CE2-CB 4.31Å; Y89-P106 VanDerWaalsContact CE2-CD 3.5Å; Y89-P106 HydrophobicContact CE2-CG 4.33Å; Y89-P106 HydrophobicContact CG-CB 4.28Å
90	R	93.8	Very high	92.5	Very high	48 Å²	48	68.9 Å²	68.9	18%	0.181	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	152.7	-174.9	-61.5	-150.4	179.3	158.8	-2.7	111.5	E74 M77 Q88 F101	E74-R90 HydrophobicContact CB-CB 4.17Å; E74-R90 WeakPolarHBondContact CB-O 3.33Å; E74-R90 PolarHBondContact N-O 3.37Å; M77-R90 HydrophobicContact CE-CG 4.22Å; M77-R90 PolarHBondContact SD-NH1 3.16Å; Q88-R90 HydrophobicContact CB-CG 4.36Å; Q88-R90 VanDerWaalsContact OE1-NE 3.14Å; R90-F101 CarbonylContact C-O 3.49Å; R90-F101 WeakPolarHBondContact CA-O 3.41Å
91	K	94.3	Very high	92.7	Very high	37 Å²	37	57.5 Å²	57.5	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.4	169.8	-53.8	-165.8	177.4	-154.2	0	109	E72 D73 L100 F101	E72-K91 CarbonylContact O-C 3.59Å; E72-K91 VanDerWaalsContact O-CA 3.22Å; E72-K91 WeakPolarHBondContact O-CA 3.38Å; D73-K91 VanDerWaalsContact OD1-CD 3.32Å; D73-K91 WeakPolarHBondContact OD1-CD 3.43Å; D73-K91 WeakPolarHBondContact OD1-CE 3.29Å; D73-K91 WeakPolarHBondContact OD1-CG 3.42Å; D73-K91 IonicContact OD1-NZ 3.82Å; D73-K91 PolarHBondContact OD1-NZ 2.92Å; K91-L100 PolarHBondContact O-N 2.79Å; K91-F101 HydrophobicContact CB-CB 4.25Å; K91-F101 HydrophobicContact CB-CD2 4.49Å; K91-F101 PolarHBondContact N-O 3.43Å; K91-F101 PolarHBondContact O-N 3.35Å
92	K	95.2	Very high	92.9	Very high	59 Å²	59	55.6 Å²	55.6	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	159.9	-177.2	65.1	-176.7	178.1	-177.6	0	111.6	T71 E72 E74 L98	T71-K92 CarbonylContact C-O 3.54Å; T71-K92 VanDerWaalsContact CA-O 3.3Å; T71-K92 WeakPolarHBondContact CA-O 3.28Å; E72-K92 HydrophobicContact CB-CG 4.16Å; E72-K92 PolarHBondContact N-O 2.95Å; E72-K92 PolarHBondContact O-N 3.36Å; E74-K92 HydrophobicContact CB-CD 4.26Å; E74-K92 HydrophobicContact CB-CG 4.38Å; E74-K92 HydrophobicContact CG-CD 4.32Å; K92-L98 CarbonylContact C-O 3.49Å; K92-L98 WeakPolarHBondContact CA-O 3.41Å
93	C	95.8	Very high	93.2	Very high	1 Å²	1	50 Å²	50	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.5	171.5	-174.5	0	0	0	0	110.3	C32 C34 K95 G97 L98 L100	C32-C93 HydrophobicContact CB-CB 4.45Å; C34-C93 VanDerWaalsContact SG-SG 3.63Å; C93-K95 PolarHBondContact O-N 2.87Å; C93-G97 VanDerWaalsContact O-CA 3.26Å; C93-G97 WeakPolarHBondContact O-CA 3.37Å; C93-G97 PolarHBondContact O-N 3.4Å; C93-L98 HydrophobicContact CB-CB 4.47Å; C93-L98 PolarHBondContact N-O 3.37Å; C93-L100 HydrophobicContact CB-CD1 3.82Å; C93-L100 HydrophobicContact CB-CG 4.3Å
94	A	94.2	Very high	93.3	Very high	41 Å²	41	46 Å²	46	34%	0.339	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.1	179.5	0	0	0	0	0	114	N70 E72	N70-A94 WeakPolarHBondContact O-CB 3.47Å; N70-A94 PolarHBondContact O-N 3.21Å; E72-A94 HydrophobicContact CG-CB 3.97Å
95	K	92.8	Very high	93.2	Very high	142 Å²	142	48.9 Å²	48.9	62%	0.617	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-43.2	-176.5	174.3	-179.2	-179.6	-168	0	114.9	C93	C93-K95 PolarHBondContact O-N 2.87Å
96	C	93.7	Very high	92.9	Very high	66 Å²	66	46.6 Å²	46.6	45%	0.446	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-5.4	-176.2	64.3	0	0	0	0	114.1	C32 C34 L98	C32-C96 PolarHBondContact SG-SG 3.38Å; C34-C96 HydrophobicContact CB-CB 3.93Å; C34-C96 VanDerWaalsContact SG-SG 3.68Å; C96-L98 PolarHBondContact O-N 3.09Å
97	G	92.3	Very high	92.5	Very high	33 Å²	33	52.9 Å²	52.9	34%	0.34	27%	0.273	S	S	.	.			trans	70.4	8.2	-178.1	0	0	0	0	0	115.2	C93	C93-G97 VanDerWaalsContact O-CA 3.26Å; C93-G97 WeakPolarHBondContact O-CA 3.37Å; C93-G97 PolarHBondContact O-N 3.4Å
98	L	93.7	Very high	92	Very high	54 Å²	54	55.1 Å²	55.1	28%	0.283	29%	0.293	S	S	.	.			trans	-63.5	130.9	177.9	-174.4	74.9	0	0	0	110.3	L33 K92 C93 C96 L100	L33-L98 HydrophobicContact CB-CD2 4.38Å; L33-L98 HydrophobicContact CD1-CD2 3.88Å; L33-L98 HydrophobicContact CG-CD2 4.04Å; K92-L98 CarbonylContact C-O 3.49Å; K92-L98 WeakPolarHBondContact CA-O 3.41Å; C93-L98 HydrophobicContact CB-CB 4.47Å; C93-L98 PolarHBondContact N-O 3.37Å; C96-L98 PolarHBondContact O-N 3.09Å; L98-L100 HydrophobicContact CD2-CD2 4.09Å; L98-L100 HydrophobicContact CG-CD2 4.5Å; L98-L100 WeakPolarHBondContact O-CG 3.15Å; L98-L100 PolarHBondContact O-N 3.29Å
99	P	94.5	Very high	91.7	Very high	41 Å²	41	55.4 Å²	55.4	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121.3	174.6	27.9	-34.1	0	0	0	110.2
100	L	94.9	Very high	91.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-47.4	-173.9	-62.8	172.4	0	0	0	111.9	C32 V38 T71 K91 C93 L98 V115 A118 V119	C32-L100 HydrophobicContact CB-CD2 4.22Å; V38-L100 HydrophobicContact CB-CD1 3.72Å; V38-L100 HydrophobicContact CG1-CD1 3.51Å; V38-L100 HydrophobicContact CG2-CD1 4.03Å; T71-L100 HydrophobicContact CG2-CD1 4.17Å; K91-L100 PolarHBondContact O-N 2.79Å; C93-L100 HydrophobicContact CB-CD1 3.82Å; C93-L100 HydrophobicContact CB-CG 4.3Å; L98-L100 HydrophobicContact CD2-CD2 4.09Å; L98-L100 HydrophobicContact CG-CD2 4.5Å; L98-L100 WeakPolarHBondContact O-CG 3.15Å; L98-L100 PolarHBondContact O-N 3.29Å; L100-V115 WeakPolarHBondContact O-CG2 3.15Å; L100-V115 PolarHBondContact O-N 3.26Å; L100-A118 HydrophobicContact CD2-CB 4Å; L100-A118 WeakPolarHBondContact CD2-O 3.47Å; L100-V119 HydrophobicContact CD2-CG1 4.27Å
101	F	95.1	Very high	91.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.8	-172.3	-48.8	-65.8	0	0	0	110.1	V38 L39 F68 T71 R90 K91 T112 F113 I114 V119	V38-F101 HydrophobicContact CB-CE2 4.45Å; V38-F101 HydrophobicContact CG2-CZ 4.35Å; L39-F101 HydrophobicContact CB-CE1 4.47Å; L39-F101 HydrophobicContact CB-CZ 3.84Å; L39-F101 HydrophobicContact CD2-CE1 3.93Å; L39-F101 HydrophobicContact CD2-CZ 4.13Å; L39-F101 HydrophobicContact CG-CZ 4.44Å; F68-F101 HydrophobicContact CD1-CD1 4.41Å; F68-F101 AromaticContact CD1-CD2 3.71Å; F68-F101 HydrophobicContact CD1-CD2 3.71Å; F68-F101 HydrophobicContact CD1-CE1 4.34Å; F68-F101 AromaticContact CD1-CE2 3.6Å; F68-F101 HydrophobicContact CD1-CE2 3.6Å; F68-F101 HydrophobicContact CD1-CG 4.14Å; F68-F101 AromaticContact CD1-CZ 3.95Å; F68-F101 HydrophobicContact CD1-CZ 3.95Å; F68-F101 AromaticContact CE1-CD1 3.84Å; F68-F101 HydrophobicContact CE1-CD1 3.84Å; F68-F101 AromaticContact CE1-CD2 3.91Å; F68-F101 HydrophobicContact CE1-CD2 3.91Å; F68-F101 AromaticContact CE1-CE1 3.97Å; F68-F101 HydrophobicContact CE1-CE1 3.97Å; F68-F101 HydrophobicContact CE1-CE2 4.01Å; F68-F101 AromaticContact CE1-CG 3.83Å; F68-F101 HydrophobicContact CE1-CG 3.83Å; F68-F101 HydrophobicContact CE1-CZ 4.06Å; T71-F101 HydrophobicContact CG2-CD2 3.77Å; T71-F101 HydrophobicContact CG2-CE2 3.57Å; R90-F101 CarbonylContact C-O 3.49Å; R90-F101 WeakPolarHBondContact CA-O 3.41Å; K91-F101 HydrophobicContact CB-CB 4.25Å; K91-F101 HydrophobicContact CB-CD2 4.49Å; K91-F101 PolarHBondContact N-O 3.43Å; K91-F101 PolarHBondContact O-N 3.35Å; F101-T112 HydrophobicContact CB-CG2 3.97Å; F101-F113 CarbonylContact C-O 3.54Å; F101-F113 VanDerWaalsContact CA-O 3.23Å; F101-F113 WeakPolarHBondContact CA-O 3.3Å; F101-I114 HydrophobicContact CD1-CB 4.2Å; F101-I114 HydrophobicContact CD1-CG1 3.87Å; F101-I114 HydrophobicContact CD1-CG2 4.18Å; F101-I114 HydrophobicContact CE1-CB 4.29Å; F101-I114 HydrophobicContact CE1-CG1 3.87Å; F101-I114 HydrophobicContact CE1-CG2 3.9Å; F101-V119 HydrophobicContact CE1-CG1 4.12Å; F101-V119 HydrophobicContact CZ-CG1 3.98Å
102	Y	94.5	Very high	91.3	Very high	6 Å²	6	54.9 Å²	54.9	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.1	166.8	65.2	-87.3	0	0	0	111.6	R51 D54 S56 Q88 Y89 F113 V115	R51-Y102 PolarHBondContact NH1-OH 3.4Å; D54-Y102 VanDerWaalsContact CG-OH 3.3Å; D54-Y102 PolarHBondContact OD1-OH 3.25Å; D54-Y102 PolarHBondContact OD2-OH 3.49Å; S56-Y102 WeakPolarHBondContact CB-OH 3.33Å; S56-Y102 WeakPolarHBondContact OG-CE1 3.16Å; S56-Y102 PolarHBondContact OG-OH 3.31Å; Q88-Y102 HydrophobicContact CB-CD2 4.41Å; Q88-Y102 HydrophobicContact CG-CD2 4.02Å; Y89-Y102 CarbonylContact O-C 3.59Å; Y89-Y102 WeakPolarHBondContact O-CA 3.39Å; Y102-F113 HydrophobicContact CD1-CB 3.9Å; Y102-F113 HydrophobicContact CD2-CB 3.84Å; Y102-F113 AromaticContact CD2-CD2 3.82Å; Y102-F113 HydrophobicContact CD2-CD2 3.82Å; Y102-F113 HydrophobicContact CD2-CG 4.13Å; Y102-F113 HydrophobicContact CE1-CB 3.44Å; Y102-F113 VanDerWaalsContact CE1-CB 3.44Å; Y102-F113 HydrophobicContact CE1-CG 4.39Å; Y102-F113 HydrophobicContact CE2-CB 3.37Å; Y102-F113 HydrophobicContact CE2-CD1 4.37Å; Y102-F113 AromaticContact CE2-CD2 3.44Å; Y102-F113 HydrophobicContact CE2-CD2 3.44Å; Y102-F113 VanDerWaalsContact CE2-CD2 3.44Å; Y102-F113 HydrophobicContact CE2-CE2 4.34Å; Y102-F113 AromaticContact CE2-CG 3.47Å; Y102-F113 HydrophobicContact CE2-CG 3.47Å; Y102-F113 VanDerWaalsContact CE2-CG 3.47Å; Y102-F113 HydrophobicContact CG-CB 4.08Å; Y102-F113 AromaticContact CZ-CG 3.61Å; Y102-F113 PolarHBondContact N-O 3.14Å; Y102-F113 PolarHBondContact O-N 3.46Å; Y102-F113 WeakPolarHBondContact OH-CB 3.25Å; Y102-V115 HydrophobicContact CD1-CG2 3.82Å; Y102-V115 HydrophobicContact CE1-CG2 4.14Å
103	Q	93.9	Very high	91.3	Very high	21 Å²	21	53.5 Å²	53.5	10%	0.098	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.4	-179.9	-66.3	178	-21.8	0	0	109.9	Y89 Q105 A109 T112	Y89-Q103 PolarHBondContact N-O 2.86Å; Y89-Q103 PolarHBondContact O-N 2.88Å; Q103-Q105 WeakPolarHBondContact CB-O 3.37Å; Q103-A109 HydrophobicContact CB-CB 3.92Å; Q103-A109 HydrophobicContact CG-CB 4.1Å; Q103-T112 HydrophobicContact CG-CG2 3.87Å; Q103-T112 PolarHBondContact NE2-OG1 3.4Å
104	S	90.4	Very high	91.3	Very high	57 Å²	57	53.6 Å²	53.6	40%	0.399	30%	0.302	S	S	.	.	S	Bend	trans	-81.5	-19.8	175.3	55.6	0	0	0	0	112.9	Y89	Y89-S104 WeakPolarHBondContact CE2-O 3.48Å
105	Q	88.4	Confident	91.3	Very high	98 Å²	98	53.6 Å²	53.6	46%	0.458	30%	0.298	S	S	.	.	S	Bend	trans	-129.7	150.1	-179.4	-62.3	-173.9	7.9	0	0	110.2	Q103 A109	Q103-Q105 WeakPolarHBondContact CB-O 3.37Å; Q105-A109 HydrophobicContact CB-CB 4.19Å
106	P	83.9	Confident	91.3	Very high	79 Å²	79	50.7 Å²	50.7	51%	0.513	29%	0.289	S	S	.	.	S	Bend	trans	-75.5	-26.5	-175.3	27.6	-31.4	0	0	0	113.4	Y89	Y89-P106 HydrophobicContact CD1-CB 3.84Å; Y89-P106 HydrophobicContact CE1-CB 3.61Å; Y89-P106 HydrophobicContact CE1-CG 4.14Å; Y89-P106 HydrophobicContact CE2-CB 4.31Å; Y89-P106 VanDerWaalsContact CE2-CD 3.5Å; Y89-P106 HydrophobicContact CE2-CG 4.33Å; Y89-P106 HydrophobicContact CG-CB 4.28Å
107	K	82.7	Confident	91.2	Very high	168 Å²	168	50 Å²	50	73%	0.73	29%	0.294	S	S	*	.	S	Bend	trans	-137.8	142.8	-178	-64.4	-174.3	179.5	-177.7	0	109.3	A109	K107-A109 PolarHBondContact O-N 2.94Å
108	N	81.5	Confident	91.2	Very high	160 Å²	160	48.7 Å²	48.7	86%	0.856	28%	0.279	S	S	*	.	S	Bend	trans	52.2	35.2	175.3	-57.9	-22.9	0	0	0	114.5	P110	N108-P110 WeakPolarHBondContact O-CD 3.12Å
109	A	85.6	Confident	91.1	Very high	11 Å²	11	46.7 Å²	46.7	9%	0.091	27%	0.269	C	S	.	.			trans	-63.4	123.3	173.3	0	0	0	0	0	108.9	Q103 Q105 K107 V111	Q103-A109 HydrophobicContact CB-CB 3.92Å; Q103-A109 HydrophobicContact CG-CB 4.1Å; Q105-A109 HydrophobicContact CB-CB 4.19Å; K107-A109 PolarHBondContact O-N 2.94Å; A109-V111 PolarHBondContact O-N 2.91Å
110	P	87.4	Confident	91	Very high	77 Å²	77	46.2 Å²	46.2	50%	0.5	27%	0.265	S	S	.	.	S	Bend	trans	-65.4	-23.9	179.3	26.3	-34.2	0	0	0	111.7	A61 N108	A61-P110 WeakPolarHBondContact CB-O 3.34Å; A61-P110 PolarHBondContact N-O 3.36Å; N108-P110 WeakPolarHBondContact O-CD 3.12Å
111	V	93.1	Very high	90.7	Very high	36 Å²	36	48.6 Å²	48.6	22%	0.218	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.5	-173.6	177.9	0	0	0	0	109.9	V58 I59 A109 F113	V58-V111 HydrophobicContact CG1-CG1 3.22Å; I59-V111 WeakPolarHBondContact O-CA 3.13Å; A109-V111 PolarHBondContact O-N 2.91Å; V111-F113 HydrophobicContact CG1-CE1 4Å; V111-F113 HydrophobicContact CG1-CE2 3.99Å; V111-F113 HydrophobicContact CG1-CZ 3.7Å
112	T	94.3	Very high	89.8	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.1	171.3	-55.2	0	0	0	0	109.7	I59 F68 F101 Q103	I59-T112 PolarHBondContact N-O 3.14Å; I59-T112 PolarHBondContact O-N 3.43Å; F68-T112 HydrophobicContact CE1-CG2 4.24Å; F68-T112 HydrophobicContact CE2-CG2 4.27Å; F68-T112 HydrophobicContact CZ-CG2 3.57Å; F101-T112 HydrophobicContact CB-CG2 3.97Å; Q103-T112 HydrophobicContact CG-CG2 3.87Å; Q103-T112 PolarHBondContact NE2-OG1 3.4Å
113	F	95	Very high	88.6	Confident	29 Å²	29	57.1 Å²	57.1	13%	0.127	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.5	179.3	-58.3	-85.3	0	0	0	110	R57 V58 F101 Y102 V111	R57-F113 CarbonylContact O-C 3.59Å; R57-F113 WeakPolarHBondContact O-CA 3.26Å; V58-F113 HydrophobicContact CG1-CD1 4.4Å; V58-F113 HydrophobicContact CG1-CE1 4.1Å; V58-F113 HydrophobicContact CG2-CD1 3.83Å; V58-F113 HydrophobicContact CG2-CE1 3.81Å; F101-F113 CarbonylContact C-O 3.54Å; F101-F113 VanDerWaalsContact CA-O 3.23Å; F101-F113 WeakPolarHBondContact CA-O 3.3Å; Y102-F113 HydrophobicContact CD1-CB 3.9Å; Y102-F113 HydrophobicContact CD2-CB 3.84Å; Y102-F113 AromaticContact CD2-CD2 3.82Å; Y102-F113 HydrophobicContact CD2-CD2 3.82Å; Y102-F113 HydrophobicContact CD2-CG 4.13Å; Y102-F113 HydrophobicContact CE1-CB 3.44Å; Y102-F113 VanDerWaalsContact CE1-CB 3.44Å; Y102-F113 HydrophobicContact CE1-CG 4.39Å; Y102-F113 HydrophobicContact CE2-CB 3.37Å; Y102-F113 HydrophobicContact CE2-CD1 4.37Å; Y102-F113 AromaticContact CE2-CD2 3.44Å; Y102-F113 HydrophobicContact CE2-CD2 3.44Å; Y102-F113 VanDerWaalsContact CE2-CD2 3.44Å; Y102-F113 HydrophobicContact CE2-CE2 4.34Å; Y102-F113 AromaticContact CE2-CG 3.47Å; Y102-F113 HydrophobicContact CE2-CG 3.47Å; Y102-F113 VanDerWaalsContact CE2-CG 3.47Å; Y102-F113 HydrophobicContact CG-CB 4.08Å; Y102-F113 AromaticContact CZ-CG 3.61Å; Y102-F113 PolarHBondContact N-O 3.14Å; Y102-F113 PolarHBondContact O-N 3.46Å; Y102-F113 WeakPolarHBondContact OH-CB 3.25Å; V111-F113 HydrophobicContact CG1-CE1 4Å; V111-F113 HydrophobicContact CG1-CE2 3.99Å; V111-F113 HydrophobicContact CG1-CZ 3.7Å
114	I	95.3	Very high	87.2	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.3	174.1	-50.9	170.8	0	0	0	107.7	L39 L45 L48 S56 R57 I59 F101 D116 V119	L39-I114 HydrophobicContact CD2-CD1 3.86Å; L45-I114 HydrophobicContact CD1-CD1 3.28Å; L48-I114 HydrophobicContact CD1-CD1 4.17Å; S56-I114 CarbonylContact C-O 3.59Å; S56-I114 WeakPolarHBondContact CA-O 3.5Å; S56-I114 WeakPolarHBondContact CB-O 3.38Å; R57-I114 HydrophobicContact CB-CB 4.23Å; R57-I114 HydrophobicContact CB-CD1 4.13Å; R57-I114 PolarHBondContact N-O 3.44Å; R57-I114 VanDerWaalsContact N-O 3.13Å; R57-I114 PolarHBondContact O-N 3.14Å; I59-I114 HydrophobicContact CD1-CD1 3.58Å; I59-I114 HydrophobicContact CD1-CG1 3.69Å; I59-I114 HydrophobicContact CG1-CD1 3.77Å; I59-I114 HydrophobicContact CG1-CG1 4.06Å; F101-I114 HydrophobicContact CD1-CB 4.2Å; F101-I114 HydrophobicContact CD1-CG1 3.87Å; F101-I114 HydrophobicContact CD1-CG2 4.18Å; F101-I114 HydrophobicContact CE1-CB 4.29Å; F101-I114 HydrophobicContact CE1-CG1 3.87Å; F101-I114 HydrophobicContact CE1-CG2 3.9Å; I114-D116 PolarHBondContact O-N 3.4Å; I114-V119 HydrophobicContact CG2-CG1 4.27Å; I114-V119 HydrophobicContact CG2-CG2 3.64Å
115	V	94.4	Very high	85.6	Confident	42 Å²	42	62.1 Å²	62.1	26%	0.255	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-62.5	133.1	176.7	178.3	0	0	0	0	109.6	L100 Y102 G117 A118	L100-V115 WeakPolarHBondContact O-CG2 3.15Å; L100-V115 PolarHBondContact O-N 3.26Å; Y102-V115 HydrophobicContact CD1-CG2 3.82Å; Y102-V115 HydrophobicContact CE1-CG2 4.14Å; V115-G117 PolarHBondContact O-N 3.11Å; V115-A118 HydrophobicContact CB-CB 3.79Å; V115-A118 HydrophobicContact CG1-CB 4.17Å; V115-A118 VanDerWaalsContact O-CB 3.31Å; V115-A118 WeakPolarHBondContact O-CB 3.36Å; V115-A118 PolarHBondContact O-N 2.94Å; V115-A118 VanDerWaalsContact O-N 3.11Å
116	D	93.2	Very high	83.8	Confident	80 Å²	80	67.7 Å²	67.7	43%	0.428	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	127.3	179.5	-174	29.5	0	0	0	110.9	R55 I114 A118	R55-D116 HydrophobicContact CB-CB 4.39Å; R55-D116 IonicContact CZ-OD2 3.34Å; R55-D116 IonicContact NE-OD2 3.07Å; R55-D116 PolarHBondContact NE-OD2 2.95Å; R55-D116 IonicContact NH2-OD2 2.81Å; R55-D116 PolarHBondContact NH2-OD2 2.85Å; I114-D116 PolarHBondContact O-N 3.4Å; D116-A118 PolarHBondContact O-N 3.47Å
117	G	90.6	Very high	82.3	Confident	53 Å²	53	66.4 Å²	66.4	55%	0.546	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	4	-179.2	0	0	0	0	0	116.8	V115	V115-G117 PolarHBondContact O-N 3.11Å
118	A	92.2	Very high	80.7	Confident	5 Å²	5	68.2 Å²	68.2	4%	0.041	40%	0.397	C	S	.	.	S	Bend	trans	-78.7	-25	-177.1	0	0	0	0	0	114	L100 V115 D116	L100-A118 HydrophobicContact CD2-CB 4Å; L100-A118 WeakPolarHBondContact CD2-O 3.47Å; V115-A118 HydrophobicContact CB-CB 3.79Å; V115-A118 HydrophobicContact CG1-CB 4.17Å; V115-A118 VanDerWaalsContact O-CB 3.31Å; V115-A118 WeakPolarHBondContact O-CB 3.36Å; V115-A118 PolarHBondContact O-N 2.94Å; V115-A118 VanDerWaalsContact O-N 3.11Å; D116-A118 PolarHBondContact O-N 3.47Å
119	V	92.7	Very high	79.1	Confident	12 Å²	12	64.8 Å²	64.8	7%	0.073	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.3	-179.1	-60.4	0	0	0	0	111.8	Y30 Y31 V38 L45 L100 F101 I114	Y30-V119 HydrophobicContact CD1-CG2 4.44Å; Y31-V119 CarbonylContact O-C 3.53Å; Y31-V119 VanDerWaalsContact O-CA 3.29Å; Y31-V119 WeakPolarHBondContact O-CA 3.48Å; V38-V119 HydrophobicContact CG2-CG1 3.82Å; L45-V119 HydrophobicContact CD1-CG2 4.49Å; L45-V119 HydrophobicContact CD2-CG2 3.73Å; L100-V119 HydrophobicContact CD2-CG1 4.27Å; F101-V119 HydrophobicContact CE1-CG1 4.12Å; F101-V119 HydrophobicContact CZ-CG1 3.98Å; I114-V119 HydrophobicContact CG2-CG1 4.27Å; I114-V119 HydrophobicContact CG2-CG2 3.64Å
120	V	91.8	Very high	77.2	Confident	30 Å²	30	70.5 Å²	70.5	18%	0.182	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.9	-175.9	-74	0	0	0	0	111.5	Y30 Y31 L33 Q124	Y30-V120 WeakPolarHBondContact CA-O 3.36Å; Y31-V120 PolarHBondContact N-O 2.92Å; Y31-V120 WeakPolarHBondContact O-CG2 3.22Å; Y31-V120 PolarHBondContact O-N 3.24Å; L33-V120 HydrophobicContact CD2-CG1 3.78Å; L33-V120 HydrophobicContact CD2-CG2 4.38Å; V120-Q124 WeakPolarHBondContact CB-O 3.48Å; V120-Q124 WeakPolarHBondContact CG1-O 3.32Å
121	K	88.6	Confident	75.7	Confident	50 Å²	50	73 Å²	73	22%	0.217	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	156.8	168.6	-73.7	-173.7	-178.9	173.1	0	110.1	Y30 G123 Q124	Y30-K121 HydrophobicContact CD1-CG 3.89Å; Y30-K121 HydrophobicContact CE1-CD 4.24Å; Y30-K121 HydrophobicContact CE1-CG 3.41Å; Y30-K121 VanDerWaalsContact CE1-CG 3.41Å; Y30-K121 WeakPolarHBondContact OH-CE 3.49Å; K121-G123 PolarHBondContact O-N 3.29Å; K121-Q124 PolarHBondContact O-N 2.89Å; K121-Q124 VanDerWaalsContact O-N 3.07Å
122	F	76.9	Confident	73.5	Confident	110 Å²	110	79 Å²	79	48%	0.482	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	132.1	170.3	-167.9	-100.2	0	0	0	110.4	Y31 Q124 Y132	Y31-F122 HydrophobicContact CD2-CB 4.4Å; Y31-F122 HydrophobicContact CE2-CB 3.79Å; Y31-F122 HydrophobicContact CE2-CD2 4.26Å; F122-Q124 VanDerWaalsContact C-N 3.28Å; F122-Q124 PolarHBondContact O-N 2.88Å; F122-Y132 VanDerWaalsContact CZ-O 3.25Å; F122-Y132 WeakPolarHBondContact CZ-O 3.46Å
123	G	69.4	Low	71.3	Confident	76 Å²	76	84.1 Å²	84.1	78%	0.784	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-12.1	-177.8	0	0	0	0	0	116.1	K121	K121-G123 PolarHBondContact O-N 3.29Å
124	Q	64.3	Low	69.1	Low	133 Å²	133	90 Å²	90	62%	0.621	50%	0.498	S	S	*	.	S	Bend	trans	-113.9	76	175.7	-72.5	-175.8	-16.3	0	0	110.3	V120 K121 F122	V120-Q124 WeakPolarHBondContact CB-O 3.48Å; V120-Q124 WeakPolarHBondContact CG1-O 3.32Å; K121-Q124 PolarHBondContact O-N 2.89Å; K121-Q124 VanDerWaalsContact O-N 3.07Å; F122-Q124 VanDerWaalsContact C-N 3.28Å; F122-Q124 PolarHBondContact O-N 2.88Å
125	G	56.1	Low	66.9	Low	50 Å²	50	98.5 Å²	98.5	52%	0.515	54%	0.535	S	S	.	.	S	Bend	trans	-180	157.6	178.7	0	0	0	0	0	113.5	G127	G125-G127 PolarHBondContact O-N 2.85Å; G125-G127 VanDerWaalsContact O-N 3.12Å
126	F	50	Low	64.7	Low	215 Å²	215	105.2 Å²	105.2	94%	0.943	56%	0.564	S	S	*	*	S	Bend	trans	-71.4	102.2	179.6	-126.7	-91.7	0	0	0	109.8
127	G	53	Low	62.6	Low	52 Å²	52	107.6 Å²	107.6	54%	0.536	57%	0.573	S	S	.	*			trans	137.1	96.2	176.1	0	0	0	0	0	112	G125 T129	G125-G127 PolarHBondContact O-N 2.85Å; G125-G127 VanDerWaalsContact O-N 3.12Å; G127-T129 PolarHBondContact O-N 3.15Å
128	K	49	Very low	60.8	Low	205 Å²	205	110 Å²	110	89%	0.891	58%	0.578	S	S	*	*			trans	-67.4	68.3	168.6	-61.8	177.5	-178.5	-179.7	0	109.8	N130	K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 PolarHBondContact O-N 3.19Å
129	T	48.5	Very low	59.1	Low	89 Å²	89	115.2 Å²	115.2	55%	0.546	61%	0.612	S	S	.	*			trans	-91.3	82.1	168.4	53.5	0	0	0	0	107.9	G127 I131	G127-T129 PolarHBondContact O-N 3.15Å; T129-I131 VanDerWaalsContact C-N 3.34Å; T129-I131 PolarHBondContact O-N 3.2Å
130	N	44.7	Very low	57.4	Low	130 Å²	130	121.4 Å²	121.4	70%	0.695	64%	0.638	S	S	*	*			trans	-60.5	88.4	168.7	-78.6	-34.8	0	0	0	109.7	K128	K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 PolarHBondContact O-N 3.19Å
131	I	57	Low	55.7	Low	131 Å²	131	126.2 Å²	126.2	67%	0.672	66%	0.656	S	S	*	*	S	Bend	trans	-117.9	-24.3	172.9	-61.4	180	0	0	0	112.3	T129	T129-I131 VanDerWaalsContact C-N 3.34Å; T129-I131 PolarHBondContact O-N 3.2Å
132	Y	47.3	Very low	54.2	Low	160 Å²	160	124.9 Å²	124.9	63%	0.627	65%	0.652	S	S	*	*			trans	-145	93.4	168.2	-82.3	-85.7	0	0	0	110.4	F122 Q134	F122-Y132 VanDerWaalsContact CZ-O 3.25Å; F122-Y132 WeakPolarHBondContact CZ-O 3.46Å; Y132-Q134 HydrophobicContact CD1-CG 4.12Å; Y132-Q134 PolarHBondContact O-N 3.03Å
133	T	47.4	Very low	53.4	Low	112 Å²	112	121.6 Å²	121.6	69%	0.687	64%	0.639	S	S	*	*			trans	-72.4	65.1	151.7	-44.6	0	0	0	0	107.1	K135	T133-K135 PolarHBondContact O-N 2.86Å
134	Q	49.1	Very low	53.1	Low	151 Å²	151	121.2 Å²	121.2	71%	0.706	62%	0.617	S	S	*	*			trans	-65.9	101	151.9	-77.3	-177.5	-2	0	0	103.1	Y132 Q136	Y132-Q134 HydrophobicContact CD1-CG 4.12Å; Y132-Q134 PolarHBondContact O-N 3.03Å; Q134-Q136 VanDerWaalsContact C-N 3.27Å; Q134-Q136 PolarHBondContact O-N 3.05Å
135	K	48.2	Very low	53.2	Low	182 Å²	182	116.3 Å²	116.3	79%	0.791	60%	0.597	S	S	*	*			trans	-44.8	109	155.9	-86.6	178.6	170.5	-178.8	0	104	T133 E137	T133-K135 PolarHBondContact O-N 2.86Å; K135-E137 PolarHBondContact O-N 3.03Å
136	Q	49.1	Very low	53.7	Low	184 Å²	184	118.6 Å²	118.6	86%	0.86	59%	0.592	S	S	*	*			trans	-60.8	99.6	159.6	-83.3	-178.7	-24.3	0	0	103	Q134	Q134-Q136 VanDerWaalsContact C-N 3.27Å; Q134-Q136 PolarHBondContact O-N 3.05Å
137	E	49.1	Very low	54.6	Low	130 Å²	130	115.7 Å²	115.7	61%	0.607	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-53.2	130	162.5	-69.3	-173.3	169.7	0	0	105	K135 K140	K135-E137 PolarHBondContact O-N 3.03Å; E137-K140 WeakPolarHBondContact OE2-CE 3.45Å; E137-K140 IonicContact OE2-NZ 3.68Å
138	P	53.2	Low	55.5	Low	102 Å²	102	116.3 Å²	116.3	66%	0.662	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-50.1	141	172.8	24.4	-32.9	0	0	0	107.2	K140	P138-K140 PolarHBondContact O-N 2.91Å
139	P	56.7	Low	56.6	Low	115 Å²	115	112.4 Å²	112.4	75%	0.747	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-47.3	117.3	-179.2	20	-31.9	0	0	0	108	K141	P139-K141 PolarHBondContact O-N 3.45Å
140	K	55.7	Low	57.9	Low	143 Å²	143	114 Å²	114	62%	0.622	56%	0.557	S	S	*	*			trans	-62	113.8	179.2	-69.8	-174.7	-178.9	-175.6	0	105.2	E137 P138 V142	E137-K140 WeakPolarHBondContact OE2-CE 3.45Å; E137-K140 IonicContact OE2-NZ 3.68Å; P138-K140 PolarHBondContact O-N 2.91Å; K140-V142 PolarHBondContact O-N 3.23Å
141	K	56.3	Low	59.1	Low	130 Å²	130	114.6 Å²	114.6	57%	0.565	56%	0.557	S	S	*	*			trans	-72.1	101.1	176.1	-69.8	-174	169.9	-159.6	0	106.7	E19 P139 M143	E19-K141 IonicContact OE2-NZ 3.45Å; E19-K141 PolarHBondContact OE2-NZ 2.72Å; P139-K141 PolarHBondContact O-N 3.45Å; K141-M143 PolarHBondContact O-N 3.24Å; K141-M143 VanDerWaalsContact O-N 3.15Å
142	V	58.2	Low	59.9	Low	23 Å²	23	111.6 Å²	111.6	14%	0.139	56%	0.559	C	S	.	*			trans	-67.7	113.8	175	-178.8	0	0	0	0	107.8	D22 K140 T161	D22-V142 WeakPolarHBondContact OD2-CG2 3.24Å; K140-V142 PolarHBondContact O-N 3.23Å; V142-T161 HydrophobicContact CG1-CG2 4.13Å
143	M	59.6	Low	61.2	Low	41 Å²	41	113.3 Å²	113.3	20%	0.202	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	128.3	174.6	-70.8	-177.6	-70.3	0	0	109.3	R17 K141 I162	R17-M143 PolarHBondContact NH2-SD 2.83Å; K141-M143 PolarHBondContact O-N 3.24Å; K141-M143 VanDerWaalsContact O-N 3.15Å; M143-I162 HydrophobicContact CB-CB 4.22Å; M143-I162 HydrophobicContact CB-CD1 3.48Å; M143-I162 VanDerWaalsContact CB-CD1 3.48Å; M143-I162 HydrophobicContact CB-CG1 4.09Å; M143-I162 HydrophobicContact CE-CD1 4.48Å; M143-I162 WeakPolarHBondContact O-CG1 3.47Å; M143-I162 PolarHBondContact O-N 2.89Å
144	M	62.1	Low	61.9	Low	67 Å²	67	115.8 Å²	115.8	33%	0.33	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.8	135.6	172.1	-74.6	-171	152.8	0	0	110	V159 S160 T161	M144-V159 HydrophobicContact CB-CG1 4.21Å; M144-V159 HydrophobicContact CE-CG1 4.2Å; M144-V159 HydrophobicContact CG-CG1 4.25Å; M144-V159 HydrophobicContact SD-CG1 3.72Å; M144-S160 WeakPolarHBondContact CA-O 3.44Å; M144-T161 HydrophobicContact CE-CG2 3.69Å; M144-T161 HydrophobicContact CG-CG2 4.16Å
145	T	66.5	Low	62.7	Low	30 Å²	30	111.9 Å²	111.9	18%	0.184	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	121.5	167.7	41.5	0	0	0	0	109.7	D16 R17 S160 I162	D16-T145 WeakPolarHBondContact O-CA 3.24Å; R17-T145 HydrophobicContact CG-CG2 4.11Å; T145-S160 PolarHBondContact N-O 2.84Å; T145-S160 PolarHBondContact O-N 2.98Å; T145-S160 PolarHBondContact OG1-O 2.92Å; T145-I162 HydrophobicContact CG2-CD1 3.73Å; T145-I162 HydrophobicContact CG2-CG1 4.06Å
146	K	68.1	Low	63.9	Low	98 Å²	98	106 Å²	106	43%	0.426	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	96.9	178.1	-177.5	-174.7	178.4	-174.3	0	109.2	D16 T148 V157 V159	D16-K146 WeakPolarHBondContact CB-O 3.49Å; D16-K146 PolarHBondContact O-N 3.21Å; K146-T148 PolarHBondContact O-N 3.06Å; K146-V157 HydrophobicContact CD-CG1 4.03Å; K146-V157 HydrophobicContact CG-CG1 3.53Å; K146-V159 HydrophobicContact CG-CG2 4.29Å
147	R	67.3	Low	65.1	Low	154 Å²	154	100.5 Å²	100.5	58%	0.581	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.1	172.5	-70.2	-173.9	179.9	171.7	4.1	109.8	T158	R147-T158 PolarHBondContact N-O 3.07Å; R147-T158 PolarHBondContact O-N 3.2Å; R147-T158 PolarHBondContact O-OG1 2.96Å
148	T	71.8	Confident	66.2	Low	66 Å²	66	97.5 Å²	97.5	41%	0.405	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.7	172.4	-52.7	0	0	0	0	109.1	K146 S156 V157	K146-T148 PolarHBondContact O-N 3.06Å; T148-S156 CarbonylContact C-O 3.57Å; T148-V157 HydrophobicContact CG2-CG2 3.91Å
149	K	72.7	Confident	66.8	Low	123 Å²	123	96.6 Å²	96.6	54%	0.535	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	103.7	172	-70.4	-178.6	-179.6	176.9	0	108.8	M151 S155 S156	K149-M151 PolarHBondContact O-N 3Å; K149-S155 CarbonylContact O-C 3.47Å; K149-S155 WeakPolarHBondContact O-CA 3.4Å; K149-S156 PolarHBondContact N-O 3.37Å; K149-S156 PolarHBondContact O-N 3.35Å
150	D	75.2	Confident	67.2	Low	122 Å²	122	94 Å²	94	65%	0.652	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	109	171.2	-88.2	-43.8	0	0	0	110.7	S155	D150-S155 WeakPolarHBondContact OD1-CB 3.33Å
151	M	71.2	Confident	67.7	Low	143 Å²	143	89.6 Å²	89.6	70%	0.704	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	50.6	170.7	-63.9	-74.4	-169.4	0	0	110.2	K149 K153 F154	K149-M151 PolarHBondContact O-N 3Å; M151-K153 PolarHBondContact O-N 3.11Å; M151-F154 CarbonylContact C-O 3.48Å; M151-F154 WeakPolarHBondContact CA-O 3.3Å; M151-F154 VanDerWaalsContact CB-O 3.26Å; M151-F154 WeakPolarHBondContact CB-O 3.28Å; M151-F154 PolarHBondContact N-O 3.07Å
152	G	72.4	Confident	68.1	Low	68 Å²	68	84.5 Å²	84.5	70%	0.701	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-109.1	-178.2	0	0	0	0	0	112.4	F154	G152-F154 VanDerWaalsContact C-N 3.28Å; G152-F154 PolarHBondContact O-N 3.15Å
153	K	74.7	Confident	68.4	Low	196 Å²	196	86 Å²	86	85%	0.852	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.5	-179.1	-171.1	174.2	178.7	-179	0	113.2	M151	M151-K153 PolarHBondContact O-N 3.11Å
154	F	62.6	Low	68.5	Low	164 Å²	164	91 Å²	91	72%	0.719	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.4	177.8	-63.7	-78.6	0	0	0	108.9	M151 G152	M151-F154 CarbonylContact C-O 3.48Å; M151-F154 WeakPolarHBondContact CA-O 3.3Å; M151-F154 VanDerWaalsContact CB-O 3.26Å; M151-F154 WeakPolarHBondContact CB-O 3.28Å; M151-F154 PolarHBondContact N-O 3.07Å; G152-F154 VanDerWaalsContact C-N 3.28Å; G152-F154 PolarHBondContact O-N 3.15Å
155	S	66.4	Low	68.7	Low	68 Å²	68	92.9 Å²	92.9	48%	0.476	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.9	167.2	64.1	0	0	0	0	108.5	K149 D150	K149-S155 CarbonylContact O-C 3.47Å; K149-S155 WeakPolarHBondContact O-CA 3.4Å; D150-S155 WeakPolarHBondContact OD1-CB 3.33Å
156	S	73.6	Confident	68.9	Low	59 Å²	59	96.3 Å²	96.3	41%	0.413	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.4	167.6	63.4	0	0	0	0	109.8	T148 K149	T148-S156 CarbonylContact C-O 3.57Å; K149-S156 PolarHBondContact N-O 3.37Å; K149-S156 PolarHBondContact O-N 3.35Å
157	V	74.3	Confident	69.1	Low	69 Å²	69	98.4 Å²	98.4	42%	0.418	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.7	176.1	178.4	0	0	0	0	107.2	K146 T148 V159	K146-V157 HydrophobicContact CD-CG1 4.03Å; K146-V157 HydrophobicContact CG-CG1 3.53Å; T148-V157 HydrophobicContact CG2-CG2 3.91Å; V157-V159 HydrophobicContact CG1-CG2 4.29Å
158	T	71.3	Confident	69.6	Low	67 Å²	67	98 Å²	98	41%	0.411	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.2	171.5	54.1	0	0	0	0	108.5	R147	R147-T158 PolarHBondContact N-O 3.07Å; R147-T158 PolarHBondContact O-N 3.2Å; R147-T158 PolarHBondContact O-OG1 2.96Å
159	V	66.8	Low	69.8	Low	83 Å²	83	98.9 Å²	98.9	50%	0.503	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.2	173.6	-176.8	0	0	0	0	107.5	M144 K146 V157	M144-V159 HydrophobicContact CB-CG1 4.21Å; M144-V159 HydrophobicContact CE-CG1 4.2Å; M144-V159 HydrophobicContact CG-CG1 4.25Å; M144-V159 HydrophobicContact SD-CG1 3.72Å; K146-V159 HydrophobicContact CG-CG2 4.29Å; V157-V159 HydrophobicContact CG1-CG2 4.29Å
160	S	64.6	Low	69.9	Low	60 Å²	60	98.2 Å²	98.2	42%	0.42	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.9	178.8	-62.2	0	0	0	0	109.7	M144 T145	M144-S160 WeakPolarHBondContact CA-O 3.44Å; T145-S160 PolarHBondContact N-O 2.84Å; T145-S160 PolarHBondContact O-N 2.98Å; T145-S160 PolarHBondContact OG1-O 2.92Å
161	T	65.5	Low	70.3	Confident	50 Å²	50	95.4 Å²	95.4	31%	0.307	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.5	170.8	40.6	0	0	0	0	109.2	V142 M144 D163	V142-T161 HydrophobicContact CG1-CG2 4.13Å; M144-T161 HydrophobicContact CE-CG2 3.69Å; M144-T161 HydrophobicContact CG-CG2 4.16Å; T161-D163 VanDerWaalsContact C-N 3.28Å; T161-D163 PolarHBondContact O-N 3.14Å
162	I	65.4	Low	70.8	Confident	23 Å²	23	97 Å²	97	12%	0.118	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.5	-175.4	-61.8	178	0	0	0	112	M143 T145 E164 E165 E166	M143-I162 HydrophobicContact CB-CB 4.22Å; M143-I162 HydrophobicContact CB-CD1 3.48Å; M143-I162 VanDerWaalsContact CB-CD1 3.48Å; M143-I162 HydrophobicContact CB-CG1 4.09Å; M143-I162 HydrophobicContact CE-CD1 4.48Å; M143-I162 WeakPolarHBondContact O-CG1 3.47Å; M143-I162 PolarHBondContact O-N 2.89Å; T145-I162 HydrophobicContact CG2-CD1 3.73Å; T145-I162 HydrophobicContact CG2-CG1 4.06Å; I162-E164 PolarHBondContact O-N 3.49Å; I162-E164 VanDerWaalsContact O-N 3.14Å; I162-E165 PolarHBondContact O-N 3.45Å; I162-E166 PolarHBondContact O-N 2.72Å; I162-E166 VanDerWaalsContact O-N 3.11Å
163	D	63.5	Low	71.3	Confident	55 Å²	55	99.8 Å²	99.8	29%	0.294	51%	0.507	S	S	.	.	H	α-helix	trans	-56	-35.4	-174.3	-67	10.6	0	0	0	113.6	T161 E167	T161-D163 VanDerWaalsContact C-N 3.28Å; T161-D163 PolarHBondContact O-N 3.14Å; D163-E167 PolarHBondContact O-N 2.88Å
164	E	63.5	Low	71.7	Confident	145 Å²	145	94.1 Å²	94.1	68%	0.678	49%	0.489	S	S	*	.	H	α-helix	trans	-71.2	-33.8	177.7	-64.2	-177	167.4	0	0	112.3	I162 E168	I162-E164 PolarHBondContact O-N 3.49Å; I162-E164 VanDerWaalsContact O-N 3.14Å; E164-E168 WeakPolarHBondContact O-CB 3.46Å; E164-E168 PolarHBondContact O-N 2.9Å; E164-E168 VanDerWaalsContact O-N 3.14Å
165	E	65.9	Low	72.8	Confident	107 Å²	107	88.9 Å²	88.9	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-75.6	-38.5	-178.8	-168.7	172.8	-166.4	0	0	111	I162 E168 I169	I162-E165 PolarHBondContact O-N 3.45Å; E165-E168 PolarHBondContact O-N 2.79Å; E165-I169 HydrophobicContact CG-CD1 4.03Å; E165-I169 WeakPolarHBondContact O-CB 3.45Å; E165-I169 WeakPolarHBondContact O-CD1 3.37Å; E165-I169 WeakPolarHBondContact O-CG1 3.34Å; E165-I169 PolarHBondContact O-N 2.9Å
166	E	70.4	Confident	73.8	Confident	102 Å²	102	89.6 Å²	89.6	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-44.8	177	-167.8	168.8	-165.7	0	0	111.5	I162 E168 I169 E170	I162-E166 PolarHBondContact O-N 2.72Å; I162-E166 VanDerWaalsContact O-N 3.11Å; E166-E168 VanDerWaalsContact C-N 3.31Å; E166-E168 PolarHBondContact O-N 3.24Å; E166-I169 PolarHBondContact O-N 2.98Å; E166-E170 WeakPolarHBondContact O-CG 3.07Å; E166-E170 PolarHBondContact O-N 3.02Å
167	E	73	Confident	74.4	Confident	143 Å²	143	89.6 Å²	89.6	67%	0.668	47%	0.474	S	S	*	.	H	α-helix	trans	-63.7	-36.4	176.3	-170.2	170.7	-159.7	0	0	111.8	D163 A171	D163-E167 PolarHBondContact O-N 2.88Å; E167-A171 VanDerWaalsContact O-CB 3.27Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 2.96Å
168	E	75.9	Confident	75	Confident	144 Å²	144	94.3 Å²	94.3	67%	0.673	49%	0.485	S	S	*	.	H	α-helix	trans	-68	-40.5	174.9	-169.6	176.8	-172.9	0	0	112.2	E164 E165 E166 R172	E164-E168 WeakPolarHBondContact O-CB 3.46Å; E164-E168 PolarHBondContact O-N 2.9Å; E164-E168 VanDerWaalsContact O-N 3.14Å; E165-E168 PolarHBondContact O-N 2.79Å; E166-E168 VanDerWaalsContact C-N 3.31Å; E166-E168 PolarHBondContact O-N 3.24Å; E168-R172 VanDerWaalsContact O-CB 3.28Å; E168-R172 WeakPolarHBondContact O-CB 3.44Å; E168-R172 PolarHBondContact O-N 3.35Å
169	I	75.9	Confident	75.8	Confident	85 Å²	85	93.3 Å²	93.3	44%	0.436	48%	0.484	S	S	.	.	H	α-helix	trans	-64.8	-46.9	175	-68.3	162.7	0	0	0	110.2	E165 E166 A171 R172 E173	E165-I169 HydrophobicContact CG-CD1 4.03Å; E165-I169 WeakPolarHBondContact O-CB 3.45Å; E165-I169 WeakPolarHBondContact O-CD1 3.37Å; E165-I169 WeakPolarHBondContact O-CG1 3.34Å; E165-I169 PolarHBondContact O-N 2.9Å; E166-I169 PolarHBondContact O-N 2.98Å; I169-A171 PolarHBondContact O-N 3.22Å; I169-R172 WeakPolarHBondContact O-CB 3.02Å; I169-R172 PolarHBondContact O-N 2.94Å; I169-E173 HydrophobicContact CG2-CG 4.29Å; I169-E173 WeakPolarHBondContact O-CG 3.45Å; I169-E173 PolarHBondContact O-N 2.98Å
170	E	76.5	Confident	76.9	Confident	110 Å²	110	95.4 Å²	95.4	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-59.9	-46.5	177.2	-74.7	-173.2	178.8	0	0	111.3	E166 R172 E173 V174	E166-E170 WeakPolarHBondContact O-CG 3.07Å; E166-E170 PolarHBondContact O-N 3.02Å; E170-R172 VanDerWaalsContact C-N 3.26Å; E170-R172 PolarHBondContact O-N 2.81Å; E170-E173 PolarHBondContact O-N 3.17Å; E170-V174 WeakPolarHBondContact O-CB 3.41Å; E170-V174 WeakPolarHBondContact O-CG2 3.22Å; E170-V174 PolarHBondContact O-N 2.82Å
171	A	82.5	Confident	77.9	Confident	62 Å²	62	96.7 Å²	96.7	51%	0.512	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-39.2	176.9	0	0	0	0	0	111.8	E167 I169 A175	E167-A171 VanDerWaalsContact O-CB 3.27Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 2.96Å; I169-A171 PolarHBondContact O-N 3.22Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.22Å
172	R	82.6	Confident	78.9	Confident	176 Å²	176	97 Å²	97	66%	0.664	50%	0.498	S	S	*	.	H	α-helix	trans	-67.9	-45.4	176.3	-175.9	177.3	176.5	146.3	-0.7	112.2	E168 I169 E170 V174 A175 D176	E168-R172 VanDerWaalsContact O-CB 3.28Å; E168-R172 WeakPolarHBondContact O-CB 3.44Å; E168-R172 PolarHBondContact O-N 3.35Å; I169-R172 WeakPolarHBondContact O-CB 3.02Å; I169-R172 PolarHBondContact O-N 2.94Å; E170-R172 VanDerWaalsContact C-N 3.26Å; E170-R172 PolarHBondContact O-N 2.81Å; R172-V174 VanDerWaalsContact C-N 3.32Å; R172-V174 PolarHBondContact O-N 2.96Å; R172-A175 PolarHBondContact O-N 3.28Å; R172-D176 WeakPolarHBondContact O-CB 3.32Å; R172-D176 PolarHBondContact O-N 2.88Å
173	E	82.8	Confident	80	Confident	128 Å²	128	102.5 Å²	102.5	60%	0.598	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-41.2	177	-73.9	-173.1	169	0	0	111.7	I169 E170 D176 S177	I169-E173 HydrophobicContact CG2-CG 4.29Å; I169-E173 WeakPolarHBondContact O-CG 3.45Å; I169-E173 PolarHBondContact O-N 2.98Å; E170-E173 PolarHBondContact O-N 3.17Å; E173-D176 PolarHBondContact O-N 2.95Å; E173-S177 WeakPolarHBondContact O-CB 3.44Å; E173-S177 PolarHBondContact O-N 3.41Å
174	V	83.6	Confident	81.1	Confident	77 Å²	77	103.9 Å²	103.9	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-47.3	175.2	170.5	0	0	0	0	110.3	E170 R172 D176 S177 Y178	E170-V174 WeakPolarHBondContact O-CB 3.41Å; E170-V174 WeakPolarHBondContact O-CG2 3.22Å; E170-V174 PolarHBondContact O-N 2.82Å; R172-V174 VanDerWaalsContact C-N 3.32Å; R172-V174 PolarHBondContact O-N 2.96Å; V174-D176 PolarHBondContact O-N 2.91Å; V174-S177 WeakPolarHBondContact O-CB 3.49Å; V174-S177 PolarHBondContact O-N 2.87Å; V174-Y178 HydrophobicContact CG1-CD2 3.6Å; V174-Y178 HydrophobicContact CG1-CE2 3.33Å; V174-Y178 WeakPolarHBondContact O-CD2 3.33Å; V174-Y178 PolarHBondContact O-N 3.05Å
175	A	84.6	Confident	82	Confident	53 Å²	53	101.9 Å²	101.9	44%	0.438	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-42.7	176.5	0	0	0	0	0	112.4	A171 R172 Y178 A179	A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.22Å; R172-A175 PolarHBondContact O-N 3.28Å; A175-Y178 PolarHBondContact O-N 2.83Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 3.07Å
176	D	88.5	Confident	82.6	Confident	84 Å²	84	101.4 Å²	101.4	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-40	177.2	-78.8	-22.2	0	0	0	111.6	R172 E173 V174 A179 Q180	R172-D176 WeakPolarHBondContact O-CB 3.32Å; R172-D176 PolarHBondContact O-N 2.88Å; E173-D176 PolarHBondContact O-N 2.95Å; V174-D176 PolarHBondContact O-N 2.91Å; D176-A179 PolarHBondContact O-N 3.33Å; D176-Q180 WeakPolarHBondContact O-CB 3.22Å; D176-Q180 VanDerWaalsContact O-CG 3.27Å; D176-Q180 WeakPolarHBondContact O-CG 3.41Å; D176-Q180 PolarHBondContact O-N 3.35Å
177	S	85	Confident	83.5	Confident	59 Å²	59	102.9 Å²	102.9	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-47.4	173.4	177.4	0	0	0	0	111.8	E173 V174 A179 Q180 N181	E173-S177 WeakPolarHBondContact O-CB 3.44Å; E173-S177 PolarHBondContact O-N 3.41Å; V174-S177 WeakPolarHBondContact O-CB 3.49Å; V174-S177 PolarHBondContact O-N 2.87Å; S177-A179 PolarHBondContact O-N 2.87Å; S177-Q180 PolarHBondContact O-N 3.17Å; S177-N181 WeakPolarHBondContact O-CB 3.26Å; S177-N181 PolarHBondContact O-N 2.87Å; S177-N181 PolarHBondContact O-ND2 2.82Å; S177-N181 VanDerWaalsContact O-ND2 3.16Å
178	Y	88.1	Confident	83.9	Confident	167 Å²	167	100.3 Å²	100.3	66%	0.655	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-41.3	175.1	-78.3	-65.5	0	0	0	112.2	V174 A175 N181 A182	V174-Y178 HydrophobicContact CG1-CD2 3.6Å; V174-Y178 HydrophobicContact CG1-CE2 3.33Å; V174-Y178 WeakPolarHBondContact O-CD2 3.33Å; V174-Y178 PolarHBondContact O-N 3.05Å; A175-Y178 PolarHBondContact O-N 2.83Å; Y178-N181 PolarHBondContact O-N 2.85Å; Y178-A182 WeakPolarHBondContact O-CB 3.23Å; Y178-A182 PolarHBondContact O-N 2.83Å
179	A	88.4	Confident	84	Confident	47 Å²	47	95.7 Å²	95.7	39%	0.388	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-39.2	178	0	0	0	0	0	112.5	A175 D176 S177 A182 K183	A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 3.07Å; D176-A179 PolarHBondContact O-N 3.33Å; S177-A179 PolarHBondContact O-N 2.87Å; A179-A182 PolarHBondContact O-N 3.05Å; A179-K183 WeakPolarHBondContact O-CG 3.41Å; A179-K183 PolarHBondContact O-N 3.44Å
180	Q	89.2	Confident	84.1	Confident	127 Å²	127	98 Å²	98	59%	0.593	50%	0.504	S	S	*	.	H	α-helix	trans	-66	-45.1	174	-73.7	177.6	16.3	0	0	111.4	D176 S177 A182 K183 V184	D176-Q180 WeakPolarHBondContact O-CB 3.22Å; D176-Q180 VanDerWaalsContact O-CG 3.27Å; D176-Q180 WeakPolarHBondContact O-CG 3.41Å; D176-Q180 PolarHBondContact O-N 3.35Å; S177-Q180 PolarHBondContact O-N 3.17Å; Q180-A182 VanDerWaalsContact C-N 3.31Å; Q180-A182 PolarHBondContact O-N 2.77Å; Q180-K183 PolarHBondContact O-N 2.87Å; Q180-V184 WeakPolarHBondContact O-CG2 3.49Å; Q180-V184 PolarHBondContact O-N 3.29Å; Q180-V184 VanDerWaalsContact O-N 3.1Å
181	N	84.6	Confident	84.2	Confident	86 Å²	86	102.4 Å²	102.4	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-59.2	-41.9	175.8	-72.9	-28.4	0	0	0	111.6	S177 Y178 K183 V184 I185	S177-N181 WeakPolarHBondContact O-CB 3.26Å; S177-N181 PolarHBondContact O-N 2.87Å; S177-N181 PolarHBondContact O-ND2 2.82Å; S177-N181 VanDerWaalsContact O-ND2 3.16Å; Y178-N181 PolarHBondContact O-N 2.85Å; N181-K183 PolarHBondContact O-N 3.47Å; N181-V184 PolarHBondContact O-N 3.44Å; N181-I185 VanDerWaalsContact O-CG1 3.29Å; N181-I185 WeakPolarHBondContact O-CG1 3.41Å; N181-I185 PolarHBondContact O-N 2.8Å
182	A	86.6	Confident	84	Confident	56 Å²	56	107 Å²	107	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-44.5	176.1	0	0	0	0	0	112.6	Y178 A179 Q180 V184 I185 E186	Y178-A182 WeakPolarHBondContact O-CB 3.23Å; Y178-A182 PolarHBondContact O-N 2.83Å; A179-A182 PolarHBondContact O-N 3.05Å; Q180-A182 VanDerWaalsContact C-N 3.31Å; Q180-A182 PolarHBondContact O-N 2.77Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 2.84Å; A182-I185 PolarHBondContact O-N 2.82Å; A182-E186 PolarHBondContact O-N 3.47Å
183	K	88.1	Confident	83.3	Confident	139 Å²	139	101.5 Å²	101.5	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-63.7	-36.7	176.7	-71.4	175	-176.7	172.7	0	112.6	A179 Q180 N181 K187	A179-K183 WeakPolarHBondContact O-CG 3.41Å; A179-K183 PolarHBondContact O-N 3.44Å; Q180-K183 PolarHBondContact O-N 2.87Å; N181-K183 PolarHBondContact O-N 3.47Å; K183-K187 PolarHBondContact O-N 2.8Å
184	V	86.6	Confident	82.3	Confident	85 Å²	85	97.9 Å²	97.9	52%	0.515	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-43	176.6	174	0	0	0	0	110.6	Q180 N181 A182 K187 Q188	Q180-V184 WeakPolarHBondContact O-CG2 3.49Å; Q180-V184 PolarHBondContact O-N 3.29Å; Q180-V184 VanDerWaalsContact O-N 3.1Å; N181-V184 PolarHBondContact O-N 3.44Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 2.84Å; V184-K187 PolarHBondContact O-N 3.32Å; V184-Q188 WeakPolarHBondContact O-CG 3.15Å; V184-Q188 PolarHBondContact O-N 2.82Å
185	I	82.6	Confident	81.4	Confident	103 Å²	103	97.6 Å²	97.6	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-42.9	177.5	-65.9	164.7	0	0	0	110.7	N181 A182 K187 Q188 L189	N181-I185 VanDerWaalsContact O-CG1 3.29Å; N181-I185 WeakPolarHBondContact O-CG1 3.41Å; N181-I185 PolarHBondContact O-N 2.8Å; A182-I185 PolarHBondContact O-N 2.82Å; I185-K187 PolarHBondContact O-N 3.11Å; I185-Q188 PolarHBondContact O-N 2.88Å; I185-L189 HydrophobicContact CG2-CD1 3.87Å; I185-L189 HydrophobicContact CG2-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CG 3.17Å; I185-L189 PolarHBondContact O-N 2.87Å
186	E	80.2	Confident	80.5	Confident	97 Å²	97	102.8 Å²	102.8	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-59.2	-48.8	177.2	-170.1	173.6	-152.8	0	0	111.8	A182 Q188 L189 E190	A182-E186 PolarHBondContact O-N 3.47Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 2.91Å; E186-L189 WeakPolarHBondContact O-CB 3.29Å; E186-L189 PolarHBondContact O-N 3.46Å; E186-L189 VanDerWaalsContact O-N 3.14Å; E186-E190 WeakPolarHBondContact O-CG 3.34Å; E186-E190 PolarHBondContact O-N 2.87Å
187	K	87.3	Confident	79.4	Confident	133 Å²	133	108.3 Å²	108.3	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-62.1	-35.3	176.5	-75.1	-178.4	179.2	178.8	0	113.3	K183 V184 I185 R191	K183-K187 PolarHBondContact O-N 2.8Å; V184-K187 PolarHBondContact O-N 3.32Å; I185-K187 PolarHBondContact O-N 3.11Å; K187-R191 VanDerWaalsContact O-CG 3.32Å; K187-R191 WeakPolarHBondContact O-CG 3.21Å; K187-R191 PolarHBondContact O-N 3.19Å
188	Q	82.5	Confident	78.4	Confident	89 Å²	89	112.7 Å²	112.7	42%	0.416	54%	0.542	S	S	.	.	H	α-helix	trans	-69.3	-36.1	176	-74	-75	-8.4	0	0	111.8	V184 I185 E186 K192	V184-Q188 WeakPolarHBondContact O-CG 3.15Å; V184-Q188 PolarHBondContact O-N 2.82Å; I185-Q188 PolarHBondContact O-N 2.88Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 2.91Å; Q188-K192 WeakPolarHBondContact O-CG 3.31Å; Q188-K192 PolarHBondContact O-N 3.48Å; Q188-K192 VanDerWaalsContact O-N 3.11Å
189	L	78.1	Confident	77.4	Confident	47 Å²	47	108.2 Å²	108.2	25%	0.246	53%	0.529	C	S	.	.	H	α-helix	trans	-68.4	-41.5	176.3	-73.2	164.6	0	0	0	112	I185 E186 K192 G193 M194 L199	I185-L189 HydrophobicContact CG2-CD1 3.87Å; I185-L189 HydrophobicContact CG2-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CG 3.17Å; I185-L189 PolarHBondContact O-N 2.87Å; E186-L189 WeakPolarHBondContact O-CB 3.29Å; E186-L189 PolarHBondContact O-N 3.46Å; E186-L189 VanDerWaalsContact O-N 3.14Å; L189-K192 PolarHBondContact O-N 2.88Å; L189-G193 PolarHBondContact O-N 3.06Å; L189-M194 HydrophobicContact CD2-CB 4.27Å; L189-M194 HydrophobicContact CD2-CG 4.47Å; L189-M194 PolarHBondContact O-N 3.23Å; L189-L199 HydrophobicContact CD1-CD1 3.65Å; L189-L199 HydrophobicContact CD1-CD2 4.03Å; L189-L199 HydrophobicContact CD2-CD1 3.59Å; L189-L199 HydrophobicContact CG-CD1 4.14Å
190	E	78.2	Confident	76.5	Confident	134 Å²	134	112 Å²	112	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-59.2	-46	173.7	-71.6	179.1	160.8	0	0	111.3	E186 K192 G193	E186-E190 WeakPolarHBondContact O-CG 3.34Å; E186-E190 PolarHBondContact O-N 2.87Å; E190-K192 VanDerWaalsContact C-N 3.29Å; E190-K192 PolarHBondContact O-N 2.85Å; E190-G193 PolarHBondContact O-N 2.77Å; E190-G193 VanDerWaalsContact O-N 3.1Å
191	R	78.4	Confident	75.7	Confident	201 Å²	201	111.7 Å²	111.7	76%	0.758	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-32.8	176.7	-73.9	175.6	-178.7	-170.4	-0.3	113.4	K187 G193	K187-R191 VanDerWaalsContact O-CG 3.32Å; K187-R191 WeakPolarHBondContact O-CG 3.21Å; K187-R191 PolarHBondContact O-N 3.19Å; R191-G193 PolarHBondContact O-N 3.34Å
192	K	78.2	Confident	75.1	Confident	159 Å²	159	111.4 Å²	111.4	69%	0.691	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	4.6	177.1	-71.9	180	179.5	-178.9	0	113.4	Q188 L189 E190 M194	Q188-K192 WeakPolarHBondContact O-CG 3.31Å; Q188-K192 PolarHBondContact O-N 3.48Å; Q188-K192 VanDerWaalsContact O-N 3.11Å; L189-K192 PolarHBondContact O-N 2.88Å; E190-K192 VanDerWaalsContact C-N 3.29Å; E190-K192 PolarHBondContact O-N 2.85Å; K192-M194 PolarHBondContact O-N 3.12Å
193	G	66.9	Low	74.5	Confident	61 Å²	61	111.4 Å²	111.4	63%	0.629	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	19.6	177	0	0	0	0	0	113.9	L189 E190 R191 S195	L189-G193 PolarHBondContact O-N 3.06Å; E190-G193 PolarHBondContact O-N 2.77Å; E190-G193 VanDerWaalsContact O-N 3.1Å; R191-G193 PolarHBondContact O-N 3.34Å; G193-S195 PolarHBondContact O-N 2.84Å
194	M	63.1	Low	73.9	Confident	51 Å²	51	109.9 Å²	109.9	25%	0.251	53%	0.53	S	S	.	.			trans	-81.3	96	175.9	-69.5	-73.1	-76.9	0	0	108.4	L189 K192 R198 L202	L189-M194 HydrophobicContact CD2-CB 4.27Å; L189-M194 HydrophobicContact CD2-CG 4.47Å; L189-M194 PolarHBondContact O-N 3.23Å; K192-M194 PolarHBondContact O-N 3.12Å; M194-R198 HydrophobicContact CE-CB 4.45Å; M194-R198 HydrophobicContact CE-CG 4.26Å; M194-R198 HydrophobicContact SD-CG 4.45Å; M194-L202 HydrophobicContact CE-CD1 3.37Å
195	S	63.8	Low	73.2	Confident	71 Å²	71	110.4 Å²	110.4	50%	0.497	53%	0.53	S	S	.	.			trans	-55.7	144.9	173.8	175.3	0	0	0	0	111	G193 R197 R198 L199	G193-S195 PolarHBondContact O-N 2.84Å; S195-R197 PolarHBondContact O-N 3.31Å; S195-R198 WeakPolarHBondContact O-CB 3.46Å; S195-R198 PolarHBondContact O-N 3.24Å; S195-L199 PolarHBondContact O-N 2.86Å
196	K	65.5	Low	72.6	Confident	163 Å²	163	111.9 Å²	111.9	71%	0.709	54%	0.535	S	S	*	.	H	α-helix	trans	-45.7	-35.6	174.1	-83.5	-174.7	174.1	179.3	0	112.6	R198 L199 Q200	K196-R198 PolarHBondContact O-N 3.13Å; K196-L199 PolarHBondContact O-N 2.87Å; K196-Q200 PolarHBondContact O-N 3.06Å
197	R	65.9	Low	72.2	Confident	199 Å²	199	109.6 Å²	109.6	75%	0.751	53%	0.532	S	S	*	.	H	α-helix	trans	-59.3	-44.8	174.7	-92.2	-175.7	174.1	170.7	-0.9	113.3	S195 L199 Q200 E201	S195-R197 PolarHBondContact O-N 3.31Å; R197-L199 VanDerWaalsContact C-N 3.3Å; R197-L199 PolarHBondContact O-N 2.84Å; R197-Q200 PolarHBondContact O-N 2.87Å; R197-E201 PolarHBondContact O-N 3.43Å
198	R	65.1	Low	71.3	Confident	151 Å²	151	109.2 Å²	109.2	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-70.3	-31.3	-178.8	-148.8	174.3	-167.8	-178.1	6.1	111.5	M194 S195 K196 L202	M194-R198 HydrophobicContact CE-CB 4.45Å; M194-R198 HydrophobicContact CE-CG 4.26Å; M194-R198 HydrophobicContact SD-CG 4.45Å; S195-R198 WeakPolarHBondContact O-CB 3.46Å; S195-R198 PolarHBondContact O-N 3.24Å; K196-R198 PolarHBondContact O-N 3.13Å; R198-L202 WeakPolarHBondContact O-CB 3.18Å; R198-L202 WeakPolarHBondContact O-CG 3.39Å; R198-L202 PolarHBondContact O-N 3.48Å
199	L	65.3	Low	70.4	Confident	73 Å²	73	112.1 Å²	112.1	38%	0.382	54%	0.542	S	S	.	.	H	α-helix	trans	-68.8	-42.1	173.2	-137.3	90.8	0	0	0	111.6	L189 S195 K196 R197 L202 A203	L189-L199 HydrophobicContact CD1-CD1 3.65Å; L189-L199 HydrophobicContact CD1-CD2 4.03Å; L189-L199 HydrophobicContact CD2-CD1 3.59Å; L189-L199 HydrophobicContact CG-CD1 4.14Å; S195-L199 PolarHBondContact O-N 2.86Å; K196-L199 PolarHBondContact O-N 2.87Å; R197-L199 VanDerWaalsContact C-N 3.3Å; R197-L199 PolarHBondContact O-N 2.84Å; L199-L202 PolarHBondContact O-N 2.84Å; L199-A203 VanDerWaalsContact O-CB 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 2.89Å
200	Q	69.4	Low	69.5	Low	127 Å²	127	113.4 Å²	113.4	59%	0.593	56%	0.56	S	S	*	*	H	α-helix	trans	-64.6	-43.4	176.7	-130.7	168.9	-5.1	0	0	111.2	K196 R197 A203 E204	K196-Q200 PolarHBondContact O-N 3.06Å; R197-Q200 PolarHBondContact O-N 2.87Å; Q200-A203 PolarHBondContact O-N 3.01Å; Q200-E204 WeakPolarHBondContact O-CB 3.44Å; Q200-E204 WeakPolarHBondContact O-CG 3.42Å; Q200-E204 PolarHBondContact O-N 3.11Å
201	E	72.6	Confident	68.7	Low	121 Å²	121	115.9 Å²	115.9	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-62.4	-43.1	173.8	-77.6	177.4	161.9	0	0	112.4	R197 E204 L205	R197-E201 PolarHBondContact O-N 3.43Å; E201-E204 PolarHBondContact O-N 3.01Å; E201-L205 WeakPolarHBondContact O-CB 3.47Å; E201-L205 WeakPolarHBondContact O-CD1 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.19Å; E201-L205 PolarHBondContact O-N 2.79Å
202	L	72.7	Confident	67.7	Low	80 Å²	80	113.8 Å²	113.8	42%	0.419	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-42.5	176.2	-87.6	160.1	0	0	0	112.2	M194 R198 L199 L205 E206	M194-L202 HydrophobicContact CE-CD1 3.37Å; R198-L202 WeakPolarHBondContact O-CB 3.18Å; R198-L202 WeakPolarHBondContact O-CG 3.39Å; R198-L202 PolarHBondContact O-N 3.48Å; L199-L202 PolarHBondContact O-N 2.84Å; L202-L205 PolarHBondContact O-N 3.16Å; L202-E206 WeakPolarHBondContact O-CB 3.49Å; L202-E206 PolarHBondContact O-N 3.01Å
203	A	74	Confident	66.6	Low	56 Å²	56	115.4 Å²	115.4	46%	0.463	58%	0.576	S	S	.	*	H	α-helix	trans	-65.4	-39.2	176.6	0	0	0	0	0	111.7	L199 Q200 E206 A207	L199-A203 VanDerWaalsContact O-CB 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 2.89Å; Q200-A203 PolarHBondContact O-N 3.01Å; A203-E206 PolarHBondContact O-N 3.46Å; A203-A207 VanDerWaalsContact O-CB 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.21Å; A203-A207 PolarHBondContact O-N 2.97Å
204	E	76.4	Confident	66.3	Low	106 Å²	106	115 Å²	115	50%	0.495	57%	0.571	S	S	.	*	H	α-helix	trans	-66.1	-38.9	173.1	-78.3	-176.6	-167.4	0	0	112.2	Q200 E201 K208	Q200-E204 WeakPolarHBondContact O-CB 3.44Å; Q200-E204 WeakPolarHBondContact O-CG 3.42Å; Q200-E204 PolarHBondContact O-N 3.11Å; E201-E204 PolarHBondContact O-N 3.01Å; E204-K208 WeakPolarHBondContact O-CB 3.16Å; E204-K208 WeakPolarHBondContact O-CG 3.43Å; E204-K208 PolarHBondContact O-N 2.9Å
205	L	71.5	Confident	66.2	Low	96 Å²	96	116.7 Å²	116.7	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-67.5	-40.1	175.2	-75.9	166.6	0	0	0	111.8	E201 L202 K208 K209	E201-L205 WeakPolarHBondContact O-CB 3.47Å; E201-L205 WeakPolarHBondContact O-CD1 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.19Å; E201-L205 PolarHBondContact O-N 2.79Å; L202-L205 PolarHBondContact O-N 3.16Å; L205-K208 PolarHBondContact O-N 2.67Å; L205-K209 WeakPolarHBondContact O-CB 3.18Å; L205-K209 VanDerWaalsContact O-CG 3.31Å; L205-K209 WeakPolarHBondContact O-CG 3.46Å; L205-K209 PolarHBondContact O-N 2.66Å
206	E	70.2	Confident	65.9	Low	135 Å²	135	121.2 Å²	121.2	63%	0.631	60%	0.603	S	S	*	*	H	α-helix	trans	-68.3	-41.6	174.2	-80.7	-170	154.4	0	0	112.1	L202 A203 K208 K209 A210	L202-E206 WeakPolarHBondContact O-CB 3.49Å; L202-E206 PolarHBondContact O-N 3.01Å; A203-E206 PolarHBondContact O-N 3.46Å; E206-K208 VanDerWaalsContact C-N 3.3Å; E206-K208 PolarHBondContact O-N 2.76Å; E206-K209 PolarHBondContact O-N 2.81Å; E206-A210 WeakPolarHBondContact O-CB 3.43Å; E206-A210 PolarHBondContact O-N 2.84Å
207	A	70.8	Confident	65.7	Low	49 Å²	49	119.1 Å²	119.1	41%	0.405	60%	0.598	S	S	.	*	H	α-helix	trans	-63.1	-37.2	174.4	0	0	0	0	0	111.7	A203 K211	A203-A207 VanDerWaalsContact O-CB 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.21Å; A203-A207 PolarHBondContact O-N 2.97Å; A207-K211 VanDerWaalsContact O-CG 3.31Å; A207-K211 WeakPolarHBondContact O-CG 3.4Å; A207-K211 PolarHBondContact O-N 3.22Å; A207-K211 VanDerWaalsContact O-N 3.15Å
208	K	68.4	Low	65.4	Low	125 Å²	125	114.5 Å²	114.5	54%	0.543	59%	0.588	S	S	.	*	H	α-helix	trans	-67.8	-40	172.7	-75	169.6	-176.8	169.1	0	111.8	E204 L205 E206 K211 M212	E204-K208 WeakPolarHBondContact O-CB 3.16Å; E204-K208 WeakPolarHBondContact O-CG 3.43Å; E204-K208 PolarHBondContact O-N 2.9Å; L205-K208 PolarHBondContact O-N 2.67Å; E206-K208 VanDerWaalsContact C-N 3.3Å; E206-K208 PolarHBondContact O-N 2.76Å; K208-K211 PolarHBondContact O-N 3.1Å; K208-M212 WeakPolarHBondContact O-CG 3.45Å; K208-M212 PolarHBondContact O-N 2.9Å
209	K	63.8	Low	65.3	Low	149 Å²	149	114.1 Å²	114.1	65%	0.648	60%	0.597	S	S	*	*	H	α-helix	trans	-67.4	-38.7	174.9	-77.2	176.6	179.6	-179.8	0	112.9	L205 E206 K211 M212	L205-K209 WeakPolarHBondContact O-CB 3.18Å; L205-K209 VanDerWaalsContact O-CG 3.31Å; L205-K209 WeakPolarHBondContact O-CG 3.46Å; L205-K209 PolarHBondContact O-N 2.66Å; E206-K209 PolarHBondContact O-N 2.81Å; K209-K211 VanDerWaalsContact C-N 3.32Å; K209-M212 PolarHBondContact O-N 3.07Å
210	A	60.3	Low	65.1	Low	75 Å²	75	117.9 Å²	117.9	62%	0.62	61%	0.613	S	S	*	*	H	α-helix	trans	-66.2	-35.7	177	0	0	0	0	0	111.7	E206 M212	E206-A210 WeakPolarHBondContact O-CB 3.43Å; E206-A210 PolarHBondContact O-N 2.84Å; A210-M212 VanDerWaalsContact C-N 3.3Å; A210-M212 PolarHBondContact O-N 2.83Å
211	K	60.2	Low	64.6	Low	185 Å²	185	120.5 Å²	120.5	80%	0.804	62%	0.623	S	S	*	*	H	α-helix	trans	-70.9	-20.6	173.6	-72.8	177.6	-178.6	-174.8	0	114	A207 K208 K209	A207-K211 VanDerWaalsContact O-CG 3.31Å; A207-K211 WeakPolarHBondContact O-CG 3.4Å; A207-K211 PolarHBondContact O-N 3.22Å; A207-K211 VanDerWaalsContact O-N 3.15Å; K208-K211 PolarHBondContact O-N 3.1Å; K209-K211 VanDerWaalsContact C-N 3.32Å
212	M	57.8	Low	63.8	Low	158 Å²	158	127.2 Å²	127.2	78%	0.778	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2.2	-177.6	-79.6	175.8	65.2	0	0	114.8	K208 K209 A210 G214	K208-M212 WeakPolarHBondContact O-CG 3.45Å; K208-M212 PolarHBondContact O-N 2.9Å; K209-M212 PolarHBondContact O-N 3.07Å; A210-M212 VanDerWaalsContact C-N 3.3Å; A210-M212 PolarHBondContact O-N 2.83Å; M212-G214 PolarHBondContact O-N 3.4Å
213	K	55.1	Low	63.3	Low	192 Å²	192	129.6 Å²	129.6	84%	0.835	66%	0.662	S	S	*	*			trans	-79.3	73.1	167.8	-84.9	-175.1	173.2	-179.6	0	110.1
214	G	60.2	Low	62.7	Low	52 Å²	52	133.5 Å²	133.5	54%	0.536	67%	0.672	S	S	.	*			trans	-63.5	150.6	164.1	0	0	0	0	0	110.6	M212	M212-G214 PolarHBondContact O-N 3.4Å
215	T	60.8	Low	62	Low	88 Å²	88	135 Å²	135	54%	0.54	68%	0.682	S	S	.	*			trans	-73.8	156.6	173.2	61.6	0	0	0	0	109.1	I217 D218	T215-I217 PolarHBondContact O-N 2.71Å; T215-D218 PolarHBondContact N-OD2 2.83Å; T215-D218 PolarHBondContact O-N 3.27Å; T215-D218 VanDerWaalsContact O-N 3.09Å
216	L	57.7	Low	61.4	Low	166 Å²	166	137.3 Å²	137.3	87%	0.869	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-3.6	178.7	-112	116.1	0	0	0	114.7
217	I	61	Low	60.9	Low	118 Å²	118	137.4 Å²	137.4	61%	0.605	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-26.7	179.3	-64	165.1	0	0	0	111.8	T215 N219	T215-I217 PolarHBondContact O-N 2.71Å; I217-N219 VanDerWaalsContact C-N 3.27Å; I217-N219 PolarHBondContact O-N 3.18Å
218	D	60.9	Low	60.2	Low	102 Å²	102	143.3 Å²	143.3	55%	0.545	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-10	-173.5	-62.4	-46.2	0	0	0	114	T215	T215-D218 PolarHBondContact N-OD2 2.83Å; T215-D218 PolarHBondContact O-N 3.27Å; T215-D218 VanDerWaalsContact O-N 3.09Å
219	N	61.7	Low	59.6	Low	143 Å²	143	144.6 Å²	144.6	77%	0.765	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	1	-179.3	-71.1	-16.8	0	0	0	114	I217	I217-N219 VanDerWaalsContact C-N 3.27Å; I217-N219 PolarHBondContact O-N 3.18Å
220	Q	60.9	Low	59.3	Low	152 Å²	152	144.3 Å²	144.3	71%	0.71	74%	0.735	S	S	*	*	S	Bend	trans	-95.8	-4.3	-178.7	-74	-171.7	-8.5	0	0	114.6
221	F	60.4	Low	59.2	Low	182 Å²	182	150.1 Å²	150.1	80%	0.798	74%	0.744	S	S	*	*			trans	-126.6	30.6	-172.6	-70.5	-79.1	0	0	0	115.2
222	K	53.9	Low	59.1	Low	263 Å²	263	146.9 Å²	146.9	100%	1.143	74%	0.739	S	S	*	*			trans	-126.7	0	165.9	-80.4	-175.6	178.4	177.5	0	110

Retrieved 222 of 222 residues in 152 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).