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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 transport¹. Promotes endoplasmic reticulum (ER) exit of cGAMP-activated STING1 oligomers^2,3.

AlphaFold DB , UniProt , Accession Q9H5V9, Species HUMAN (Homo sapiens, Human), Gene STEEP1, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 36.7 ms (Link to these results)

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