A0A3Q0KCU7_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 294 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	47.3	Very low	244 Å²	244	174.9 Å²	174.9	100%	1.202	89%	0.89	S	S	*	*				0	144.9	0	-82.7	-169.4	158.9	0	0	109.9
2	P	41.2	Very low	47.1	Very low	117 Å²	117	173 Å²	173	76%	0.76	88%	0.884	S	S	*	*				-114.1	147.5	-113.7	36.6	-30.5	0	0	0	114.7
3	K	47.4	Very low	46.8	Very low	217 Å²	217	179.2 Å²	179.2	94%	0.943	89%	0.889	S	S	*	*			trans	-108.5	120.4	160.4	-75.6	-174.5	178.9	176.6	0	109.8
4	K	52.3	Low	46.6	Very low	203 Å²	203	171.6 Å²	171.6	88%	0.883	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-58.3	132.7	-176.2	-68.1	173.5	173.2	177.3	0	112.2
5	K	49	Very low	46.3	Very low	211 Å²	211	174 Å²	174	92%	0.917	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.5	165	-83.9	178	173.3	174.7	0	109.4
6	K	54.2	Low	46.1	Very low	202 Å²	202	178.2 Å²	178.2	88%	0.878	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-93.6	128.5	166.6	-92.7	-174.9	174.7	-179.5	0	109.7
7	V	47.9	Very low	45.9	Very low	145 Å²	145	177.6 Å²	177.6	88%	0.879	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-61.8	129.3	175.3	176.1	0	0	0	0	110.2
8	K	47.3	Very low	45.8	Very low	203 Å²	203	179.2 Å²	179.2	88%	0.883	88%	0.884	S	S	*	*			trans	-85.8	114.6	169.8	-83.8	-177.7	175	177	0	108.9
9	S	47.6	Very low	45.6	Very low	107 Å²	107	177 Å²	177	75%	0.748	88%	0.882	S	S	*	*			trans	-68.5	125.7	166.4	61.2	0	0	0	0	110.2	K11	S9-K11 PolarHBondContact O-N 3.44Å
10	G	43	Very low	45.5	Very low	85 Å²	85	173.3 Å²	173.3	88%	0.876	87%	0.873	S	S	*	*			trans	-63.5	125.7	172	0	0	0	0	0	111.2
11	K	49.8	Very low	45.6	Very low	190 Å²	190	177.1 Å²	177.1	83%	0.826	88%	0.877	S	S	*	*			trans	-114.8	120.7	-178.5	-143.8	178.6	-170.2	178	0	108.6	S9	S9-K11 PolarHBondContact O-N 3.44Å
12	N	45	Very low	46.3	Very low	152 Å²	152	172.3 Å²	172.3	81%	0.813	85%	0.85	S	S	*	*			trans	27.7	123.6	152.5	-66.1	-8.6	0	0	0	120.1
13	R	43.6	Very low	47	Very low	253 Å²	253	176.4 Å²	176.4	96%	0.955	86%	0.856	S	S	*	*			trans	-126.6	86.8	147.1	-92	-174.9	168.3	175.6	-2.5	110.3	K15	R13-K15 PolarHBondContact O-N 3.4Å
14	G	42.9	Very low	47.6	Very low	73 Å²	73	172.2 Å²	172.2	75%	0.753	84%	0.838	S	S	*	*			trans	-68.8	115.1	154.3	0	0	0	0	0	108.6	R16	G14-R16 PolarHBondContact O-N 3.08Å; G14-R16 VanDerWaalsContact O-N 3.08Å
15	K	43.1	Very low	48.4	Very low	208 Å²	208	164.8 Å²	164.8	90%	0.904	81%	0.809	S	S	*	*			trans	-70.3	96.4	171.3	-93.4	177.3	172.8	175.6	0	108.6	R13 L17	R13-K15 PolarHBondContact O-N 3.4Å; K15-L17 PolarHBondContact O-N 3.5Å
16	R	43	Very low	49.7	Very low	241 Å²	241	160.2 Å²	160.2	91%	0.909	80%	0.798	S	S	*	*			trans	-70.9	118.9	157.8	-107.7	178.3	168.9	174.1	-3.5	107.8	G14 K18	G14-R16 PolarHBondContact O-N 3.08Å; G14-R16 VanDerWaalsContact O-N 3.08Å; R16-K18 PolarHBondContact O-N 3.29Å
17	L	42.7	Very low	50.5	Low	169 Å²	169	153 Å²	153	89%	0.885	77%	0.769	S	S	*	*			trans	-57	122.9	168.8	-82.2	99.1	0	0	0	109.2	K15 T19	K15-L17 PolarHBondContact O-N 3.5Å; L17-T19 PolarHBondContact O-N 3.43Å
18	K	43.5	Very low	51.6	Low	205 Å²	205	147.4 Å²	147.4	89%	0.891	73%	0.734	S	S	*	*			trans	-76.6	112.2	166.3	-79	-179.7	173.7	-179.9	0	107.7	R16 S20	R16-K18 PolarHBondContact O-N 3.29Å; K18-S20 PolarHBondContact O-N 3.34Å
19	T	41.8	Very low	52.9	Low	138 Å²	138	140.2 Å²	140.2	85%	0.847	71%	0.712	S	S	*	*			trans	-60.3	119.8	163.9	37.9	0	0	0	0	109	L17 R21	L17-T19 PolarHBondContact O-N 3.43Å; T19-R21 PolarHBondContact O-N 3.05Å
20	S	43.4	Very low	54.4	Low	102 Å²	102	141.1 Å²	141.1	71%	0.713	70%	0.702	S	S	*	*			trans	-73.4	109.5	174.1	60.9	0	0	0	0	109.1	K18 K22	K18-S20 PolarHBondContact O-N 3.34Å; S20-K22 PolarHBondContact O-N 3.24Å
21	R	48	Very low	56.1	Low	254 Å²	254	137.3 Å²	137.3	96%	0.958	66%	0.662	S	S	*	*			trans	-66.7	101.3	161.9	-97	179.8	172.1	169.2	-2.8	107.3	T19	T19-R21 PolarHBondContact O-N 3.05Å
22	K	55.1	Low	57.4	Low	144 Å²	144	130.5 Å²	130.5	63%	0.626	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-62.1	133.6	174	-70	-176.2	173.9	-171.1	0	109.6	S20 K24 N133	S20-K22 PolarHBondContact O-N 3.24Å; K22-K24 PolarHBondContact O-N 2.65Å; K22-N133 PolarHBondContact NZ-OD1 2.96Å
23	K	56.1	Low	59.2	Low	202 Å²	202	131.5 Å²	131.5	88%	0.878	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-68.7	125.9	175.4	-75.8	179	175.9	178.5	0	108.5
24	K	60.2	Low	61	Low	130 Å²	130	120.4 Å²	120.4	57%	0.565	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-60.9	139.3	170.1	-72.3	-171.8	171.9	-169	0	110	K22 E28 D32	K22-K24 PolarHBondContact O-N 2.65Å; K24-E28 VanDerWaalsContact CA-OE2 3.23Å; K24-E28 WeakPolarHBondContact CA-OE2 3.31Å; K24-E28 WeakPolarHBondContact CB-OE2 3.44Å; K24-D32 IonicContact NZ-OD2 2.68Å; K24-D32 PolarHBondContact NZ-OD2 2.99Å
25	T	70.3	Confident	62.7	Low	46 Å²	46	118.3 Å²	118.3	28%	0.282	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-75.6	160.2	174.9	59.7	0	0	0	0	111.4	L27 E28 A29 I134	T25-L27 PolarHBondContact O-N 3.47Å; T25-E28 WeakPolarHBondContact CG2-OE1 3.47Å; T25-E28 PolarHBondContact N-OE2 3.4Å; T25-E28 PolarHBondContact O-N 2.65Å; T25-E28 WeakPolarHBondContact OG1-CB 3.34Å; T25-E28 WeakPolarHBondContact OG1-CG 3.32Å; T25-E28 PolarHBondContact OG1-N 3.26Å; T25-E28 PolarHBondContact OG1-OE1 2.67Å; T25-A29 PolarHBondContact O-N 2.83Å; T25-A29 VanDerWaalsContact O-N 3.12Å; T25-I134 HydrophobicContact CG2-CB 3.95Å; T25-I134 HydrophobicContact CG2-CD1 3.77Å; T25-I134 HydrophobicContact CG2-CG1 3.94Å; T25-I134 HydrophobicContact CG2-CG2 4.48Å; T25-I134 WeakPolarHBondContact OG1-CD1 3.19Å
26	V	75	Confident	64.5	Low	115 Å²	115	112.2 Å²	112.2	70%	0.697	55%	0.552	S	S	*	*	H	α-helix	trans	-58.5	-35.6	178.3	176.3	0	0	0	0	111.5	A29 K30	V26-A29 PolarHBondContact O-N 3.03Å; V26-K30 WeakPolarHBondContact O-CG 3.44Å; V26-K30 PolarHBondContact O-N 3.37Å; V26-K30 VanDerWaalsContact O-N 3.12Å
27	L	71.5	Confident	66.5	Low	51 Å²	51	104.3 Å²	104.3	27%	0.267	53%	0.528	S	S	.	.	H	α-helix	trans	-72.3	-41.3	-179.8	-173.4	57.2	0	0	0	111.9	T25 A29 K30 I31 F93 I134	T25-L27 PolarHBondContact O-N 3.47Å; L27-A29 VanDerWaalsContact C-N 3.31Å; L27-A29 PolarHBondContact O-N 2.86Å; L27-K30 PolarHBondContact O-N 3.49Å; L27-I31 HydrophobicContact CG-CD1 4.22Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 3.42Å; L27-F93 HydrophobicContact CD1-CD2 3.86Å; L27-F93 HydrophobicContact CD1-CE2 3.92Å; L27-I134 HydrophobicContact CB-CD1 4.15Å
28	E	70.5	Confident	68.3	Low	27 Å²	27	104 Å²	104	13%	0.126	52%	0.522	C	S	.	.	H	α-helix	trans	-57.7	-44.3	171.7	-77	157.8	-132	0	0	111.5	K24 T25 K30 I31 D32 I134	K24-E28 VanDerWaalsContact CA-OE2 3.23Å; K24-E28 WeakPolarHBondContact CA-OE2 3.31Å; K24-E28 WeakPolarHBondContact CB-OE2 3.44Å; T25-E28 WeakPolarHBondContact CG2-OE1 3.47Å; T25-E28 PolarHBondContact N-OE2 3.4Å; T25-E28 PolarHBondContact O-N 2.65Å; T25-E28 WeakPolarHBondContact OG1-CB 3.34Å; T25-E28 WeakPolarHBondContact OG1-CG 3.32Å; T25-E28 PolarHBondContact OG1-N 3.26Å; T25-E28 PolarHBondContact OG1-OE1 2.67Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.36Å; E28-I31 PolarHBondContact O-N 3.4Å; E28-D32 WeakPolarHBondContact O-CB 3.46Å; E28-D32 PolarHBondContact O-N 3.29Å; E28-I134 HydrophobicContact CG-CD1 4.24Å; E28-I134 HydrophobicContact CG-CG1 4.4Å; E28-I134 VanDerWaalsContact OE1-CG1 3.31Å; E28-I134 WeakPolarHBondContact OE1-CG1 3.48Å
29	A	75.2	Confident	70.1	Confident	52 Å²	52	102.1 Å²	102.1	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-35.4	178	0	0	0	0	0	112.5	T25 V26 L27 K33	T25-A29 PolarHBondContact O-N 2.83Å; T25-A29 VanDerWaalsContact O-N 3.12Å; V26-A29 PolarHBondContact O-N 3.03Å; L27-A29 VanDerWaalsContact C-N 3.31Å; L27-A29 PolarHBondContact O-N 2.86Å; A29-K33 WeakPolarHBondContact O-CB 3.42Å; A29-K33 PolarHBondContact O-N 3.34Å; A29-K33 VanDerWaalsContact O-N 3.1Å
30	K	79.7	Confident	72.2	Confident	126 Å²	126	101 Å²	101	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-41.2	174.5	-75.9	-177.3	177.4	-175.3	0	112.1	V26 L27 E28 K33 F34 F93	V26-K30 WeakPolarHBondContact O-CG 3.44Å; V26-K30 PolarHBondContact O-N 3.37Å; V26-K30 VanDerWaalsContact O-N 3.12Å; L27-K30 PolarHBondContact O-N 3.49Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.36Å; K30-K33 PolarHBondContact O-N 3.4Å; K30-F34 WeakPolarHBondContact O-CB 3.14Å; K30-F34 PolarHBondContact O-N 3.13Å; K30-F93 HydrophobicContact CB-CE2 3.74Å; K30-F93 HydrophobicContact CB-CZ 4.18Å
31	I	77.9	Confident	74.1	Confident	5 Å²	5	97.2 Å²	97.2	3%	0.026	47%	0.47	C	S	.	.	H	α-helix	trans	-65.2	-47.1	176.8	-67	168.7	0	0	0	110.2	L27 E28 K33 F34 C35 F93 V97 R100 L129	L27-I31 HydrophobicContact CG-CD1 4.22Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 3.42Å; E28-I31 PolarHBondContact O-N 3.4Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.24Å; I31-F34 WeakPolarHBondContact O-CB 3.24Å; I31-F34 PolarHBondContact O-N 3.46Å; I31-C35 PolarHBondContact O-N 3.27Å; I31-C35 PolarHBondContact O-SG 2.9Å; I31-C35 VanDerWaalsContact O-SG 3.33Å; I31-F93 HydrophobicContact CG1-CE2 3.72Å; I31-F93 HydrophobicContact CG1-CZ 3.89Å; I31-V97 HydrophobicContact CG1-CG2 4.09Å; I31-R100 VanDerWaalsContact CD1-CZ 3.4Å; I31-L129 HydrophobicContact CG2-CD1 4.08Å; I31-L129 HydrophobicContact CG2-CD2 4.35Å
32	D	76	Confident	75.5	Confident	48 Å²	48	87.9 Å²	87.9	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-55.8	-43.8	176.1	-75.8	-18.8	0	0	0	111.5	K24 E28 F34 A36	K24-D32 IonicContact NZ-OD2 2.68Å; K24-D32 PolarHBondContact NZ-OD2 2.99Å; E28-D32 WeakPolarHBondContact O-CB 3.46Å; E28-D32 PolarHBondContact O-N 3.29Å; D32-F34 VanDerWaalsContact C-N 3.35Å; D32-A36 WeakPolarHBondContact O-CB 3.35Å; D32-A36 PolarHBondContact O-N 3.42Å
33	K	83.4	Confident	76.9	Confident	172 Å²	172	84.9 Å²	84.9	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-66.2	-37.1	177.2	-171.9	179.8	-179.6	-176.9	0	112.2	A29 K30 I31	A29-K33 WeakPolarHBondContact O-CB 3.42Å; A29-K33 PolarHBondContact O-N 3.34Å; A29-K33 VanDerWaalsContact O-N 3.1Å; K30-K33 PolarHBondContact O-N 3.4Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.24Å
34	F	82.2	Confident	78.4	Confident	20 Å²	20	75.3 Å²	75.3	9%	0.088	40%	0.396	C	S	.	.	H	α-helix	trans	-70	-42.5	178.7	-177.4	-112.1	0	0	0	111.7	K30 I31 D32 A36 D37 K40 Y41 F44 F93 E94	K30-F34 WeakPolarHBondContact O-CB 3.14Å; K30-F34 PolarHBondContact O-N 3.13Å; I31-F34 WeakPolarHBondContact O-CB 3.24Å; I31-F34 PolarHBondContact O-N 3.46Å; D32-F34 VanDerWaalsContact C-N 3.35Å; F34-A36 VanDerWaalsContact C-N 3.29Å; F34-A36 PolarHBondContact O-N 2.84Å; F34-D37 PolarHBondContact O-N 3.41Å; F34-K40 HydrophobicContact CD2-CD 4.41Å; F34-K40 HydrophobicContact CE2-CD 4.1Å; F34-K40 HydrophobicContact CE2-CG 4.22Å; F34-Y41 AromaticContact CD1-CD2 3.81Å; F34-Y41 HydrophobicContact CD1-CD2 3.81Å; F34-Y41 HydrophobicContact CD1-CE2 4.3Å; F34-Y41 AromaticContact CE1-CD2 3.66Å; F34-Y41 HydrophobicContact CE1-CD2 3.66Å; F34-Y41 HydrophobicContact CE1-CE2 4.2Å; F34-F44 HydrophobicContact CE1-CB 4.4Å; F34-F44 AromaticContact CE1-CD1 3.55Å; F34-F44 HydrophobicContact CE1-CD1 3.55Å; F34-F44 AromaticContact CE1-CE1 3.87Å; F34-F44 HydrophobicContact CE1-CE1 3.87Å; F34-F44 AromaticContact CE1-CG 3.91Å; F34-F44 HydrophobicContact CE1-CG 3.91Å; F34-F44 HydrophobicContact CZ-CB 3.85Å; F34-F44 AromaticContact CZ-CD1 3.82Å; F34-F44 HydrophobicContact CZ-CD1 3.82Å; F34-F44 HydrophobicContact CZ-CD2 4.2Å; F34-F44 HydrophobicContact CZ-CE1 4.42Å; F34-F44 AromaticContact CZ-CG 3.67Å; F34-F44 HydrophobicContact CZ-CG 3.67Å; F34-F93 HydrophobicContact CB-CE1 3.94Å; F34-F93 HydrophobicContact CB-CZ 3.97Å; F34-F93 HydrophobicContact CD1-CE1 4.02Å; F34-F93 HydrophobicContact CD2-CE1 4.12Å; F34-F93 AromaticContact CG-CE1 3.77Å; F34-F93 HydrophobicContact CG-CE1 3.77Å; F34-F93 HydrophobicContact CG-CZ 4.27Å; F34-E94 HydrophobicContact CZ-CG 4.47Å
35	C	78.3	Confident	79.6	Confident	30 Å²	30	69.5 Å²	69.5	20%	0.203	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-21.8	177.1	-63	0	0	0	0	113.3	I31 D37 L129	I31-C35 PolarHBondContact O-N 3.27Å; I31-C35 PolarHBondContact O-SG 2.9Å; I31-C35 VanDerWaalsContact O-SG 3.33Å; C35-D37 VanDerWaalsContact C-N 3.26Å; C35-D37 PolarHBondContact O-N 3.42Å; C35-L129 HydrophobicContact CB-CD1 4.42Å; C35-L129 VanDerWaalsContact SG-CD1 3.54Å
36	A	81.2	Confident	80.1	Confident	79 Å²	79	74.7 Å²	74.7	65%	0.653	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.7	175.3	0	0	0	0	0	113.5	D32 F34 E38	D32-A36 WeakPolarHBondContact O-CB 3.35Å; D32-A36 PolarHBondContact O-N 3.42Å; F34-A36 VanDerWaalsContact C-N 3.29Å; F34-A36 PolarHBondContact O-N 2.84Å; A36-E38 PolarHBondContact O-N 2.82Å
37	D	84.8	Confident	80.7	Confident	76 Å²	76	73.8 Å²	73.8	41%	0.406	37%	0.374	S	S	.	.			trans	-91	87.5	173.3	-173.1	-18.5	0	0	0	108.7	F34 C35 E39 K40 Y41	F34-D37 PolarHBondContact O-N 3.41Å; C35-D37 VanDerWaalsContact C-N 3.26Å; C35-D37 PolarHBondContact O-N 3.42Å; D37-E39 VanDerWaalsContact C-N 3.32Å; D37-E39 PolarHBondContact O-N 2.87Å; D37-K40 HydrophobicContact CB-CB 4.07Å; D37-K40 PolarHBondContact O-N 3.46Å; D37-K40 WeakPolarHBondContact OD1-CB 2.87Å; D37-K40 PolarHBondContact OD1-N 3.08Å; D37-K40 WeakPolarHBondContact OD2-CB 3.21Å; D37-Y41 WeakPolarHBondContact O-CB 3.44Å; D37-Y41 PolarHBondContact O-N 2.97Å
38	E	81.2	Confident	81.4	Confident	161 Å²	161	71.3 Å²	71.3	75%	0.752	36%	0.362	S	S	*	.	H	α-helix	trans	-58.6	-41.1	-170.9	-67.8	-175.7	177.3	0	0	112.9	A36 A42	A36-E38 PolarHBondContact O-N 2.82Å; E38-A42 WeakPolarHBondContact O-CB 3.47Å; E38-A42 PolarHBondContact O-N 2.73Å
39	E	80.9	Confident	82	Confident	167 Å²	167	71.4 Å²	71.4	78%	0.78	36%	0.363	S	S	*	.	H	α-helix	trans	-67.3	-49.3	-178.8	-174.2	177.6	-175.4	0	0	110.6	D37 Y41 A42 D43	D37-E39 VanDerWaalsContact C-N 3.32Å; D37-E39 PolarHBondContact O-N 2.87Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.19Å; E39-A42 PolarHBondContact O-N 3.32Å; E39-D43 WeakPolarHBondContact O-CB 3.44Å; E39-D43 PolarHBondContact O-N 2.85Å
40	K	84.7	Confident	82.4	Confident	114 Å²	114	74.4 Å²	74.4	50%	0.496	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-40.7	178.7	-171	179.8	-174.3	179.2	0	112	F34 D37 F44	F34-K40 HydrophobicContact CD2-CD 4.41Å; F34-K40 HydrophobicContact CE2-CD 4.1Å; F34-K40 HydrophobicContact CE2-CG 4.22Å; D37-K40 HydrophobicContact CB-CB 4.07Å; D37-K40 PolarHBondContact O-N 3.46Å; D37-K40 WeakPolarHBondContact OD1-CB 2.87Å; D37-K40 PolarHBondContact OD1-N 3.08Å; D37-K40 WeakPolarHBondContact OD2-CB 3.21Å; K40-F44 VanDerWaalsContact O-CB 3.26Å; K40-F44 WeakPolarHBondContact O-CB 3.31Å; K40-F44 PolarHBondContact O-N 3.12Å
41	Y	84	Confident	82.8	Confident	23 Å²	23	69.9 Å²	69.9	9%	0.09	35%	0.351	C	S	.	.	H	α-helix	trans	-68.8	-42	179.4	-174.7	-115.5	0	0	0	111.6	F34 D37 E39 F44 L45 V97 S123	F34-Y41 AromaticContact CD1-CD2 3.81Å; F34-Y41 HydrophobicContact CD1-CD2 3.81Å; F34-Y41 HydrophobicContact CD1-CE2 4.3Å; F34-Y41 AromaticContact CE1-CD2 3.66Å; F34-Y41 HydrophobicContact CE1-CD2 3.66Å; F34-Y41 HydrophobicContact CE1-CE2 4.2Å; D37-Y41 WeakPolarHBondContact O-CB 3.44Å; D37-Y41 PolarHBondContact O-N 2.97Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.19Å; Y41-F44 HydrophobicContact CD2-CD1 4.04Å; Y41-F44 HydrophobicContact CE2-CD1 4.14Å; Y41-F44 HydrophobicContact CE2-CE1 4.31Å; Y41-F44 WeakPolarHBondContact O-CB 3.35Å; Y41-F44 PolarHBondContact O-N 3.27Å; Y41-L45 HydrophobicContact CD1-CD1 4Å; Y41-L45 HydrophobicContact CD1-CG 4.48Å; Y41-L45 HydrophobicContact CE1-CD1 3.51Å; Y41-L45 HydrophobicContact CE1-CG 4.14Å; Y41-L45 HydrophobicContact CE2-CD1 4.49Å; Y41-L45 HydrophobicContact CE2-CD2 4.29Å; Y41-L45 HydrophobicContact CE2-CG 4.25Å; Y41-L45 WeakPolarHBondContact O-CG 3.47Å; Y41-L45 PolarHBondContact O-N 3.17Å; Y41-V97 HydrophobicContact CE2-CG1 4.48Å; Y41-S123 WeakPolarHBondContact CE1-OG 3.36Å; Y41-S123 PolarHBondContact OH-OG 3.3Å
42	A	77.9	Confident	83.2	Confident	58 Å²	58	70 Å²	70	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-64.2	-43.7	176.1	0	0	0	0	0	112.2	E38 E39 L45 K46	E38-A42 WeakPolarHBondContact O-CB 3.47Å; E38-A42 PolarHBondContact O-N 2.73Å; E39-A42 PolarHBondContact O-N 3.32Å; A42-L45 PolarHBondContact O-N 3.12Å; A42-K46 WeakPolarHBondContact O-CB 3.44Å; A42-K46 PolarHBondContact O-N 3.22Å
43	D	83	Confident	83.6	Confident	81 Å²	81	75.9 Å²	75.9	43%	0.433	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.2	178.1	68.5	0	0	0	111.6	E39 L45 K46 R47	E39-D43 WeakPolarHBondContact O-CB 3.44Å; E39-D43 PolarHBondContact O-N 2.85Å; D43-L45 PolarHBondContact O-N 3.43Å; D43-K46 WeakPolarHBondContact O-CB 3.19Å; D43-K46 PolarHBondContact O-N 2.85Å; D43-R47 WeakPolarHBondContact O-CG 3.23Å; D43-R47 PolarHBondContact O-N 3.25Å; D43-R47 IonicContact OD2-CZ 2.67Å; D43-R47 IonicContact OD2-NE 2.79Å; D43-R47 PolarHBondContact OD2-NE 3.26Å; D43-R47 IonicContact OD2-NH2 2.77Å
44	F	88.4	Confident	83.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-54.8	-53.4	174	161.4	-106.6	0	0	0	112	F34 K40 Y41 K46 R47 S48 F90 E94 V97 I98	F34-F44 HydrophobicContact CE1-CB 4.4Å; F34-F44 AromaticContact CE1-CD1 3.55Å; F34-F44 HydrophobicContact CE1-CD1 3.55Å; F34-F44 AromaticContact CE1-CE1 3.87Å; F34-F44 HydrophobicContact CE1-CE1 3.87Å; F34-F44 AromaticContact CE1-CG 3.91Å; F34-F44 HydrophobicContact CE1-CG 3.91Å; F34-F44 HydrophobicContact CZ-CB 3.85Å; F34-F44 AromaticContact CZ-CD1 3.82Å; F34-F44 HydrophobicContact CZ-CD1 3.82Å; F34-F44 HydrophobicContact CZ-CD2 4.2Å; F34-F44 HydrophobicContact CZ-CE1 4.42Å; F34-F44 AromaticContact CZ-CG 3.67Å; F34-F44 HydrophobicContact CZ-CG 3.67Å; K40-F44 VanDerWaalsContact O-CB 3.26Å; K40-F44 WeakPolarHBondContact O-CB 3.31Å; K40-F44 PolarHBondContact O-N 3.12Å; Y41-F44 HydrophobicContact CD2-CD1 4.04Å; Y41-F44 HydrophobicContact CE2-CD1 4.14Å; Y41-F44 HydrophobicContact CE2-CE1 4.31Å; Y41-F44 WeakPolarHBondContact O-CB 3.35Å; Y41-F44 PolarHBondContact O-N 3.27Å; F44-K46 PolarHBondContact O-N 2.95Å; F44-R47 PolarHBondContact O-N 3.37Å; F44-S48 WeakPolarHBondContact CD2-OG 3.23Å; F44-S48 WeakPolarHBondContact CE2-OG 3.44Å; F44-S48 WeakPolarHBondContact O-CB 3.47Å; F44-S48 PolarHBondContact O-N 3.33Å; F44-S48 PolarHBondContact O-OG 3.29Å; F44-S48 VanDerWaalsContact O-OG 3.1Å; F44-F90 HydrophobicContact CE2-CD1 4.42Å; F44-E94 HydrophobicContact CD2-CB 4.34Å; F44-E94 HydrophobicContact CD2-CG 3.88Å; F44-E94 HydrophobicContact CE2-CB 3.59Å; F44-E94 HydrophobicContact CE2-CG 3.61Å; F44-E94 HydrophobicContact CZ-CB 4.19Å; F44-E94 HydrophobicContact CZ-CG 4.36Å; F44-V97 HydrophobicContact CE1-CB 4.35Å; F44-V97 HydrophobicContact CE1-CG1 3.76Å; F44-V97 HydrophobicContact CZ-CB 4.22Å; F44-V97 HydrophobicContact CZ-CG1 4.11Å; F44-I98 HydrophobicContact CE2-CD1 4.37Å; F44-I98 HydrophobicContact CE2-CG1 4.34Å; F44-I98 HydrophobicContact CZ-CD1 4.36Å; F44-I98 HydrophobicContact CZ-CG1 3.83Å
45	L	85.9	Confident	83.8	Confident	9 Å²	9	73.2 Å²	73.2	5%	0.047	37%	0.374	C	S	.	.	H	α-helix	trans	-58.3	-39	179.2	-72.2	179.8	0	0	0	111.9	Y41 A42 D43 N49 L101 L119	Y41-L45 HydrophobicContact CD1-CD1 4Å; Y41-L45 HydrophobicContact CD1-CG 4.48Å; Y41-L45 HydrophobicContact CE1-CD1 3.51Å; Y41-L45 HydrophobicContact CE1-CG 4.14Å; Y41-L45 HydrophobicContact CE2-CD1 4.49Å; Y41-L45 HydrophobicContact CE2-CD2 4.29Å; Y41-L45 HydrophobicContact CE2-CG 4.25Å; Y41-L45 WeakPolarHBondContact O-CG 3.47Å; Y41-L45 PolarHBondContact O-N 3.17Å; A42-L45 PolarHBondContact O-N 3.12Å; D43-L45 PolarHBondContact O-N 3.43Å; L45-N49 VanDerWaalsContact O-CB 3.23Å; L45-N49 WeakPolarHBondContact O-CB 3.26Å; L45-N49 VanDerWaalsContact O-CG 3.22Å; L45-N49 PolarHBondContact O-N 3.49Å; L45-N49 PolarHBondContact O-ND2 3.26Å; L45-L101 HydrophobicContact CD2-CD1 3.62Å; L45-L119 HydrophobicContact CD2-CB 3.97Å
46	K	80.9	Confident	84.1	Confident	155 Å²	155	72.3 Å²	72.3	67%	0.674	37%	0.368	S	S	*	.	H	α-helix	trans	-64.6	-48.1	177.2	-173.7	-178.5	178.7	-175.5	0	111.4	A42 D43 F44 L50	A42-K46 WeakPolarHBondContact O-CB 3.44Å; A42-K46 PolarHBondContact O-N 3.22Å; D43-K46 WeakPolarHBondContact O-CB 3.19Å; D43-K46 PolarHBondContact O-N 2.85Å; F44-K46 PolarHBondContact O-N 2.95Å; K46-L50 WeakPolarHBondContact O-CB 3.23Å; K46-L50 PolarHBondContact O-N 3.02Å; K46-L50 VanDerWaalsContact O-N 3.08Å
47	R	86.9	Confident	84.1	Confident	95 Å²	95	74.5 Å²	74.5	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-45.9	177.3	-71.5	-172.7	-67.2	107.3	2.8	111.5	D43 F44 L50 W51 F90 E94	D43-R47 WeakPolarHBondContact O-CG 3.23Å; D43-R47 PolarHBondContact O-N 3.25Å; D43-R47 IonicContact OD2-CZ 2.67Å; D43-R47 IonicContact OD2-NE 2.79Å; D43-R47 PolarHBondContact OD2-NE 3.26Å; D43-R47 IonicContact OD2-NH2 2.77Å; F44-R47 PolarHBondContact O-N 3.37Å; R47-L50 PolarHBondContact O-N 3.1Å; R47-W51 WeakPolarHBondContact O-CB 3.36Å; R47-W51 PolarHBondContact O-N 3.25Å; R47-F90 HydrophobicContact CB-CE1 4.2Å; R47-F90 HydrophobicContact CB-CZ 4.49Å; R47-E94 IonicContact NH2-OE1 2.9Å
48	S	85.8	Confident	84.1	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65	-43.5	179.3	-59.4	0	0	0	0	112.8	F44 L50 W51 I52 F90	F44-S48 WeakPolarHBondContact CD2-OG 3.23Å; F44-S48 WeakPolarHBondContact CE2-OG 3.44Å; F44-S48 WeakPolarHBondContact O-CB 3.47Å; F44-S48 PolarHBondContact O-N 3.33Å; F44-S48 PolarHBondContact O-OG 3.29Å; F44-S48 VanDerWaalsContact O-OG 3.1Å; S48-L50 PolarHBondContact O-N 2.84Å; S48-W51 PolarHBondContact O-N 3.03Å; S48-I52 WeakPolarHBondContact O-CB 3.39Å; S48-I52 VanDerWaalsContact O-CG1 3.29Å; S48-I52 WeakPolarHBondContact O-CG1 3.14Å; S48-I52 PolarHBondContact O-N 2.96Å; S48-F90 WeakPolarHBondContact OG-CE1 3.36Å; S48-F90 WeakPolarHBondContact OG-CZ 3.48Å
49	N	84.1	Confident	84.3	Confident	28 Å²	28	68 Å²	68	15%	0.15	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-47.1	174.1	-83.7	-40.6	0	0	0	112.6	L45 K53 S118 L119 T120	L45-N49 VanDerWaalsContact O-CB 3.23Å; L45-N49 WeakPolarHBondContact O-CB 3.26Å; L45-N49 VanDerWaalsContact O-CG 3.22Å; L45-N49 PolarHBondContact O-N 3.49Å; L45-N49 PolarHBondContact O-ND2 3.26Å; N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 PolarHBondContact O-N 2.73Å; N49-S118 PolarHBondContact ND2-OG 3.08Å; N49-S118 WeakPolarHBondContact OD1-CA 3.34Å; N49-L119 WeakPolarHBondContact OD1-CA 3.41Å; N49-L119 VanDerWaalsContact OD1-CB 3.23Å; N49-L119 WeakPolarHBondContact OD1-CB 3.14Å; N49-L119 WeakPolarHBondContact OD1-CG 3.33Å; N49-L119 PolarHBondContact OD1-N 3.36Å; N49-T120 PolarHBondContact ND2-N 3.33Å; N49-T120 PolarHBondContact ND2-OG1 3.26Å
50	L	82.5	Confident	84.5	Confident	115 Å²	115	62.2 Å²	62.2	60%	0.602	31%	0.305	S	S	*	.	H	α-helix	trans	-63.2	-45.5	-180	-176.2	64.4	0	0	0	110.6	K46 R47 S48 K53 C54	K46-L50 WeakPolarHBondContact O-CB 3.23Å; K46-L50 PolarHBondContact O-N 3.02Å; K46-L50 VanDerWaalsContact O-N 3.08Å; R47-L50 PolarHBondContact O-N 3.1Å; S48-L50 PolarHBondContact O-N 2.84Å; L50-K53 PolarHBondContact O-N 2.9Å; L50-C54 WeakPolarHBondContact O-CB 3.45Å; L50-C54 PolarHBondContact O-N 2.95Å; L50-C54 PolarHBondContact O-SG 3.47Å
51	W	89	Confident	84.3	Confident	32 Å²	32	60.2 Å²	60.2	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-49.8	-178.8	-171.5	89.6	0	0	0	112.2	R47 S48 K53 C54 H55 I59 V83 L86 C88 P89 F90	R47-W51 WeakPolarHBondContact O-CB 3.36Å; R47-W51 PolarHBondContact O-N 3.25Å; S48-W51 PolarHBondContact O-N 3.03Å; W51-K53 VanDerWaalsContact C-N 3.31Å; W51-K53 PolarHBondContact O-N 3.37Å; W51-C54 PolarHBondContact O-N 2.67Å; W51-H55 AromaticContact CD1-CE1 3.63Å; W51-H55 AromaticContact CD1-ND1 3.79Å; W51-H55 AromaticContact CD2-ND1 3.81Å; W51-H55 AromaticContact CE2-CE1 3.8Å; W51-H55 AromaticContact CE2-CG 3.96Å; W51-H55 AromaticContact CE2-ND1 3.61Å; W51-H55 AromaticContact CG-ND1 3.92Å; W51-H55 HydrophobicContact CH2-CB 4.38Å; W51-H55 HydrophobicContact CZ2-CB 4.43Å; W51-H55 AromaticContact NE1-CE1 3.33Å; W51-H55 PolarHBondContact NE1-CE1 3.43Å; W51-H55 VanDerWaalsContact NE1-CE1 3.33Å; W51-H55 AromaticContact NE1-ND1 3.58Å; W51-H55 AromaticContact NE1-NE2 3.86Å; W51-H55 PolarHBondContact O-N 3.02Å; W51-H55 PolarHBondContact O-ND1 3.49Å; W51-I59 HydrophobicContact CH2-CD1 4.32Å; W51-I59 HydrophobicContact CZ3-CD1 3.82Å; W51-V83 HydrophobicContact CH2-CB 4.07Å; W51-V83 HydrophobicContact CH2-CG1 4.13Å; W51-V83 HydrophobicContact CZ3-CB 4.27Å; W51-V83 HydrophobicContact CZ3-CG1 3.91Å; W51-L86 HydrophobicContact CH2-CB 4.14Å; W51-L86 HydrophobicContact CH2-CD1 4.42Å; W51-L86 HydrophobicContact CZ2-CB 4.11Å; W51-C88 HydrophobicContact CH2-CB 3.75Å; W51-C88 HydrophobicContact CZ2-CB 3.78Å; W51-C88 HydrophobicContact CZ3-CB 4.37Å; W51-P89 HydrophobicContact CG-CG 4.37Å; W51-P89 VanDerWaalsContact NE1-CD 3.28Å; W51-F90 HydrophobicContact CB-CE2 3.87Å; W51-F90 HydrophobicContact CB-CZ 3.85Å; W51-F90 HydrophobicContact CD2-CE2 4.1Å; W51-F90 HydrophobicContact CE3-CE2 4.08Å; W51-F90 HydrophobicContact CG-CE2 4Å; W51-F90 HydrophobicContact CG-CZ 4.28Å
52	I	87	Confident	84.1	Confident	6 Å²	6	61 Å²	61	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-44.6	178.2	-67	170.3	0	0	0	110	S48 C54 H55 A56 I98 L119	S48-I52 WeakPolarHBondContact O-CB 3.39Å; S48-I52 VanDerWaalsContact O-CG1 3.29Å; S48-I52 WeakPolarHBondContact O-CG1 3.14Å; S48-I52 PolarHBondContact O-N 2.96Å; I52-C54 VanDerWaalsContact C-N 3.34Å; I52-C54 PolarHBondContact O-N 3.28Å; I52-H55 CarbonylContact O-C 3.52Å; I52-H55 PolarHBondContact O-N 3.42Å; I52-A56 VanDerWaalsContact O-CA 3.29Å; I52-A56 WeakPolarHBondContact O-CA 3.23Å; I52-A56 WeakPolarHBondContact O-CB 3.48Å; I52-A56 PolarHBondContact O-N 3.28Å; I52-I98 HydrophobicContact CD1-CG2 3.65Å; I52-L119 HydrophobicContact CD1-CD1 3.85Å; I52-L119 HydrophobicContact CD1-CD2 4.5Å; I52-L119 HydrophobicContact CD1-CG 4.36Å
53	K	83.3	Confident	84.4	Confident	172 Å²	172	58.3 Å²	58.3	75%	0.748	29%	0.288	S	S	*	.	H	α-helix	trans	-60.4	-42.2	178.2	-174.2	179.2	179.4	-177.5	0	112.4	N49 L50 W51 H55	N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 PolarHBondContact O-N 2.73Å; L50-K53 PolarHBondContact O-N 2.9Å; W51-K53 VanDerWaalsContact C-N 3.31Å; W51-K53 PolarHBondContact O-N 3.37Å; K53-H55 VanDerWaalsContact C-N 3.31Å; K53-H55 PolarHBondContact O-N 2.68Å
54	C	84.4	Confident	84	Confident	89 Å²	89	59.3 Å²	59.3	60%	0.601	29%	0.29	S	S	*	.	H	α-helix	trans	-68.3	-29.2	178.4	-70.3	0	0	0	0	113.1	L50 W51 I52	L50-C54 WeakPolarHBondContact O-CB 3.45Å; L50-C54 PolarHBondContact O-N 2.95Å; L50-C54 PolarHBondContact O-SG 3.47Å; W51-C54 PolarHBondContact O-N 2.67Å; I52-C54 VanDerWaalsContact C-N 3.34Å; I52-C54 PolarHBondContact O-N 3.28Å
55	H	85.9	Confident	83.1	Confident	48 Å²	48	64.5 Å²	64.5	22%	0.222	32%	0.317	C	S	.	.	H	α-helix	trans	-109.1	6.5	-175.4	-60.2	78.8	0	0	0	113.1	W51 I52 K53 E57 Q58 I59 L86	W51-H55 AromaticContact CD1-CE1 3.63Å; W51-H55 AromaticContact CD1-ND1 3.79Å; W51-H55 AromaticContact CD2-ND1 3.81Å; W51-H55 AromaticContact CE2-CE1 3.8Å; W51-H55 AromaticContact CE2-CG 3.96Å; W51-H55 AromaticContact CE2-ND1 3.61Å; W51-H55 AromaticContact CG-ND1 3.92Å; W51-H55 HydrophobicContact CH2-CB 4.38Å; W51-H55 HydrophobicContact CZ2-CB 4.43Å; W51-H55 AromaticContact NE1-CE1 3.33Å; W51-H55 PolarHBondContact NE1-CE1 3.43Å; W51-H55 VanDerWaalsContact NE1-CE1 3.33Å; W51-H55 AromaticContact NE1-ND1 3.58Å; W51-H55 AromaticContact NE1-NE2 3.86Å; W51-H55 PolarHBondContact O-N 3.02Å; W51-H55 PolarHBondContact O-ND1 3.49Å; I52-H55 CarbonylContact O-C 3.52Å; I52-H55 PolarHBondContact O-N 3.42Å; K53-H55 VanDerWaalsContact C-N 3.31Å; K53-H55 PolarHBondContact O-N 2.68Å; H55-E57 VanDerWaalsContact C-N 3.33Å; H55-E57 PolarHBondContact O-N 3.27Å; H55-Q58 PolarHBondContact CD2-OE1 3.03Å; H55-Q58 WeakPolarHBondContact O-CB 3.35Å; H55-Q58 PolarHBondContact O-N 3.26Å; H55-I59 HydrophobicContact CB-CD1 4.15Å; H55-I59 HydrophobicContact CB-CG1 4.36Å; H55-I59 WeakPolarHBondContact O-CG1 3.42Å; H55-I59 PolarHBondContact O-N 2.91Å; H55-L86 HydrophobicContact CB-CD1 4.27Å
56	A	84.5	Confident	82.1	Confident	11 Å²	11	65.9 Å²	65.9	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-56.7	-44.5	-170.3	0	0	0	0	0	112.6	I52 I59 K60	I52-A56 VanDerWaalsContact O-CA 3.29Å; I52-A56 WeakPolarHBondContact O-CA 3.23Å; I52-A56 WeakPolarHBondContact O-CB 3.48Å; I52-A56 PolarHBondContact O-N 3.28Å; A56-I59 PolarHBondContact O-N 2.91Å; A56-K60 WeakPolarHBondContact O-CB 3.2Å; A56-K60 VanDerWaalsContact O-CG 3.28Å; A56-K60 WeakPolarHBondContact O-CG 3.15Å; A56-K60 PolarHBondContact O-N 3.15Å
57	E	81.1	Confident	81.2	Confident	124 Å²	124	59 Å²	59	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-68.8	-35.5	179.6	-64.2	-54.4	126.2	0	0	112.3	H55 K60 S61	H55-E57 VanDerWaalsContact C-N 3.33Å; H55-E57 PolarHBondContact O-N 3.27Å; E57-K60 PolarHBondContact O-N 2.92Å; E57-K60 IonicContact OE1-NZ 3.66Å; E57-K60 PolarHBondContact OE1-NZ 2.79Å; E57-S61 WeakPolarHBondContact O-CB 3.45Å; E57-S61 PolarHBondContact O-N 2.95Å; E57-S61 PolarHBondContact O-OG 3Å
58	Q	84.2	Confident	80.1	Confident	102 Å²	102	58.3 Å²	58.3	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-42.9	175	-66.8	175.1	-30.5	0	0	111.5	H55 S61 L62 L86	H55-Q58 PolarHBondContact CD2-OE1 3.03Å; H55-Q58 WeakPolarHBondContact O-CB 3.35Å; H55-Q58 PolarHBondContact O-N 3.26Å; Q58-S61 PolarHBondContact O-N 3.22Å; Q58-L62 WeakPolarHBondContact O-CG 3.44Å; Q58-L62 PolarHBondContact O-N 3.02Å; Q58-L86 HydrophobicContact CB-CD1 3.97Å; Q58-L86 HydrophobicContact CB-CD2 4.13Å
59	I	86.6	Confident	79.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-48.6	174.3	-67	167	0	0	0	109.7	W51 H55 A56 S61 L62 L63 F79 A82 V83 L86 L115	W51-I59 HydrophobicContact CH2-CD1 4.32Å; W51-I59 HydrophobicContact CZ3-CD1 3.82Å; H55-I59 HydrophobicContact CB-CD1 4.15Å; H55-I59 HydrophobicContact CB-CG1 4.36Å; H55-I59 WeakPolarHBondContact O-CG1 3.42Å; H55-I59 PolarHBondContact O-N 2.91Å; A56-I59 PolarHBondContact O-N 2.91Å; I59-S61 VanDerWaalsContact C-N 3.28Å; I59-S61 PolarHBondContact O-N 2.77Å; I59-L62 PolarHBondContact O-N 3.04Å; I59-L63 HydrophobicContact CG2-CD1 3.52Å; I59-L63 HydrophobicContact CG2-CG 4.13Å; I59-L63 WeakPolarHBondContact O-CB 3.13Å; I59-L63 VanDerWaalsContact O-CG 3.23Å; I59-L63 WeakPolarHBondContact O-CG 3.39Å; I59-L63 PolarHBondContact O-N 2.85Å; I59-F79 HydrophobicContact CG2-CD2 4.37Å; I59-F79 HydrophobicContact CG2-CE2 4.24Å; I59-A82 HydrophobicContact CG2-CB 4.42Å; I59-V83 HydrophobicContact CD1-CG1 4.29Å; I59-L86 HydrophobicContact CG1-CD1 3.51Å; I59-L115 HydrophobicContact CG2-CD1 4.1Å
60	K	84.1	Confident	78.3	Confident	45 Å²	45	58.3 Å²	58.3	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-56.2	-43.7	175.6	-76.2	174.8	-173.8	171.3	0	112.1	A56 E57 L63 H64 Y112 L115	A56-K60 WeakPolarHBondContact O-CB 3.2Å; A56-K60 VanDerWaalsContact O-CG 3.28Å; A56-K60 WeakPolarHBondContact O-CG 3.15Å; A56-K60 PolarHBondContact O-N 3.15Å; E57-K60 PolarHBondContact O-N 2.92Å; E57-K60 IonicContact OE1-NZ 3.66Å; E57-K60 PolarHBondContact OE1-NZ 2.79Å; K60-L63 PolarHBondContact O-N 3.15Å; K60-H64 WeakPolarHBondContact O-CB 3.44Å; K60-H64 PolarHBondContact O-CD2 3.28Å; K60-H64 PolarHBondContact O-N 3.11Å; K60-Y112 HydrophobicContact CB-CE1 4.42Å; K60-Y112 HydrophobicContact CG-CD1 3.9Å; K60-Y112 HydrophobicContact CG-CE1 4.17Å; K60-L115 HydrophobicContact CG-CD1 4.21Å
61	S	80.5	Confident	77.7	Confident	71 Å²	71	56.1 Å²	56.1	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-43.6	-179.1	-57.3	0	0	0	0	111.3	E57 Q58 I59 L65	E57-S61 WeakPolarHBondContact O-CB 3.45Å; E57-S61 PolarHBondContact O-N 2.95Å; E57-S61 PolarHBondContact O-OG 3Å; Q58-S61 PolarHBondContact O-N 3.22Å; I59-S61 VanDerWaalsContact C-N 3.28Å; I59-S61 PolarHBondContact O-N 2.77Å; S61-L65 WeakPolarHBondContact O-CG 3.47Å; S61-L65 PolarHBondContact O-N 2.87Å
62	L	81	Confident	77.1	Confident	41 Å²	41	60.7 Å²	60.7	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-41.1	175.4	-71.1	172.6	0	0	0	112.6	Q58 I59 L65 T66 A82 L86	Q58-L62 WeakPolarHBondContact O-CG 3.44Å; Q58-L62 PolarHBondContact O-N 3.02Å; I59-L62 PolarHBondContact O-N 3.04Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 2.86Å; L62-T66 PolarHBondContact O-N 3.05Å; L62-T66 PolarHBondContact O-OG1 3.36Å; L62-A82 HydrophobicContact CB-CB 4.02Å; L62-A82 HydrophobicContact CD1-CB 4.4Å; L62-L86 HydrophobicContact CD1-CD1 4.02Å; L62-L86 HydrophobicContact CD1-CD2 3.81Å; L62-L86 HydrophobicContact CD1-CG 3.65Å
63	L	82.8	Confident	76.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-40.4	177.4	-70.3	171.2	0	0	0	111.5	I59 K60 L65 T66 A67 F74 D78 A82 Y112 L115	I59-L63 HydrophobicContact CG2-CD1 3.52Å; I59-L63 HydrophobicContact CG2-CG 4.13Å; I59-L63 WeakPolarHBondContact O-CB 3.13Å; I59-L63 VanDerWaalsContact O-CG 3.23Å; I59-L63 WeakPolarHBondContact O-CG 3.39Å; I59-L63 PolarHBondContact O-N 2.85Å; K60-L63 PolarHBondContact O-N 3.15Å; L63-L65 PolarHBondContact O-N 3.22Å; L63-T66 PolarHBondContact O-N 3.37Å; L63-A67 WeakPolarHBondContact O-CA 3.45Å; L63-A67 WeakPolarHBondContact O-CB 3.35Å; L63-A67 PolarHBondContact O-N 3.49Å; L63-F74 HydrophobicContact CD1-CD1 3.66Å; L63-F74 HydrophobicContact CD1-CD2 3.85Å; L63-F74 HydrophobicContact CD1-CE1 3.67Å; L63-F74 HydrophobicContact CD1-CE2 3.87Å; L63-F74 HydrophobicContact CD1-CG 3.75Å; L63-F74 HydrophobicContact CD1-CZ 3.78Å; L63-F74 HydrophobicContact CD2-CB 4.06Å; L63-F74 HydrophobicContact CD2-CD2 3.98Å; L63-F74 HydrophobicContact CD2-CG 3.97Å; L63-F74 HydrophobicContact CG-CG 4.39Å; L63-D78 VanDerWaalsContact CD2-C 3.47Å; L63-D78 HydrophobicContact CD2-CB 3.61Å; L63-D78 WeakPolarHBondContact CD2-O 3.29Å; L63-A82 HydrophobicContact CD2-CB 3.95Å; L63-A82 HydrophobicContact CG-CB 4.03Å; L63-Y112 HydrophobicContact CB-CE1 3.84Å; L63-Y112 VanDerWaalsContact CB-OH 3.25Å; L63-Y112 WeakPolarHBondContact CB-OH 3.48Å; L63-Y112 HydrophobicContact CD1-CE1 3.95Å; L63-L115 HydrophobicContact CD1-CD1 4.23Å
64	H	75.7	Confident	76.7	Confident	103 Å²	103	53.5 Å²	53.5	48%	0.477	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-27.4	173.4	-85.9	-64	0	0	0	113.2	K60 Y112	K60-H64 WeakPolarHBondContact O-CB 3.44Å; K60-H64 PolarHBondContact O-CD2 3.28Å; K60-H64 PolarHBondContact O-N 3.11Å; H64-Y112 PolarHBondContact N-OH 3.07Å
65	L	69.2	Low	76.6	Confident	109 Å²	109	49.4 Å²	49.4	57%	0.571	25%	0.249	S	C	*	.	H	α-helix	trans	-79.5	-22	176	-66.9	170.3	0	0	0	113.3	S61 L62 L63	S61-L65 WeakPolarHBondContact O-CG 3.47Å; S61-L65 PolarHBondContact O-N 2.87Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 2.86Å; L63-L65 PolarHBondContact O-N 3.22Å
66	T	64.2	Low	76.5	Confident	37 Å²	37	48.2 Å²	48.2	23%	0.227	24%	0.243	C	C	.	.	H	α-helix	trans	-123	-32	-165.6	52.1	0	0	0	0	114.3	L62 L63 H68 L283	L62-T66 PolarHBondContact O-N 3.05Å; L62-T66 PolarHBondContact O-OG1 3.36Å; L63-T66 PolarHBondContact O-N 3.37Å; T66-H68 PolarHBondContact O-CD2 3.08Å; T66-H68 PolarHBondContact O-N 3.06Å; T66-L283 HydrophobicContact CG2-CD1 3.95Å
67	A	63.2	Low	76.3	Confident	11 Å²	11	51.1 Å²	51.1	9%	0.091	26%	0.257	C	S	.	.			trans	-82.4	100.4	179.6	0	0	0	0	0	109.5	L63 Y69 F74 D78	L63-A67 WeakPolarHBondContact O-CA 3.45Å; L63-A67 WeakPolarHBondContact O-CB 3.35Å; L63-A67 PolarHBondContact O-N 3.49Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 HydrophobicContact CB-CD2 4.2Å; A67-F74 HydrophobicContact CB-CB 3.83Å; A67-D78 HydrophobicContact CB-CB 4.42Å
68	H	62.9	Low	76.4	Confident	81 Å²	81	46 Å²	46	38%	0.375	23%	0.234	S	C	.	.			trans	-92.1	15.8	178.3	-58.2	-58.4	0	0	0	113.2	T66 T172 G176 I180	T66-H68 PolarHBondContact O-CD2 3.08Å; T66-H68 PolarHBondContact O-N 3.06Å; H68-T172 WeakPolarHBondContact O-CG2 3.46Å; H68-G176 VanDerWaalsContact O-CA 3.24Å; H68-G176 WeakPolarHBondContact O-CA 3.33Å; H68-I180 HydrophobicContact CB-CD1 4.14Å; H68-I180 HydrophobicContact CB-CG1 4.2Å
69	Y	65.2	Low	76.6	Confident	22 Å²	22	41.2 Å²	41.2	9%	0.086	21%	0.211	C	C	.	.	S	Bend	trans	-88.4	-49.7	-170.4	-52	-85.1	0	0	0	112.4	A67 T75 D78 F109 P169 N171 G176	A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 HydrophobicContact CB-CD2 4.2Å; Y69-T75 HydrophobicContact CD1-CG2 4.18Å; Y69-T75 HydrophobicContact CD2-CG2 3.95Å; Y69-T75 HydrophobicContact CE1-CG2 3.91Å; Y69-T75 HydrophobicContact CE2-CG2 3.7Å; Y69-T75 HydrophobicContact CG-CG2 4.19Å; Y69-D78 WeakPolarHBondContact CD2-OD2 3.4Å; Y69-D78 WeakPolarHBondContact CE2-OD1 3.43Å; Y69-D78 WeakPolarHBondContact CE2-OD2 3.2Å; Y69-F109 HydrophobicContact CD1-CE1 4.38Å; Y69-F109 HydrophobicContact CG-CE1 4.35Å; Y69-P169 HydrophobicContact CE1-CB 3.96Å; Y69-P169 HydrophobicContact CE1-CG 4.1Å; Y69-N171 VanDerWaalsContact CE1-CG 3.49Å; Y69-N171 VanDerWaalsContact CE1-ND2 3.26Å; Y69-N171 WeakPolarHBondContact CE1-ND2 3.38Å; Y69-N171 WeakPolarHBondContact CE1-OD1 3.24Å; Y69-G176 VanDerWaalsContact O-CA 3.26Å; Y69-G176 WeakPolarHBondContact O-CA 3.31Å; Y69-G176 PolarHBondContact O-N 3.27Å
70	S	67	Low	76.6	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.042	22%	0.221	C	C	.	.			trans	-163.3	167	172.7	72.6	0	0	0	0	109.9	F72 N73	S70-F72 PolarHBondContact O-N 2.94Å; S70-F72 PolarHBondContact OG-N 3.18Å; S70-N73 PolarHBondContact OG-N 3.13Å; S70-N73 PolarHBondContact OG-ND2 3.1Å; S70-N73 VanDerWaalsContact OG-ND2 3.15Å; S70-N73 PolarHBondContact OG-OD1 3.05Å
71	D	70.1	Confident	76.6	Confident	69 Å²	69	43.6 Å²	43.6	37%	0.369	23%	0.23	S	C	.	.	S	Bend	trans	-73.8	-8.1	174	-67	-33.6	0	0	0	113.1	Y112 N179	D71-Y112 VanDerWaalsContact O-CD2 3.3Å; D71-Y112 WeakPolarHBondContact O-CD2 3.45Å; D71-Y112 WeakPolarHBondContact O-CE2 3.44Å; D71-N179 PolarHBondContact OD1-ND2 3.24Å; D71-N179 PolarHBondContact OD2-ND2 2.97Å
72	F	75.5	Confident	76.9	Confident	128 Å²	128	40.3 Å²	40.3	56%	0.561	21%	0.207	S	C	*	.	S	Bend	trans	-111.5	-23	-170.7	-55.6	-69.5	0	0	0	113.6	S70 E111 Y112	S70-F72 PolarHBondContact O-N 2.94Å; S70-F72 PolarHBondContact OG-N 3.18Å; F72-E111 WeakPolarHBondContact O-CA 3.27Å; F72-Y112 VanDerWaalsContact C-CD2 3.46Å; F72-Y112 WeakPolarHBondContact O-CD2 3.38Å; F72-Y112 PolarHBondContact O-N 2.92Å
73	N	80.3	Confident	77.3	Confident	26 Å²	26	38.4 Å²	38.4	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.7	-174.3	66.1	44.3	0	0	0	113.4	S70 F109 I110	S70-N73 PolarHBondContact OG-N 3.13Å; S70-N73 PolarHBondContact OG-ND2 3.1Å; S70-N73 VanDerWaalsContact OG-ND2 3.15Å; S70-N73 PolarHBondContact OG-OD1 3.05Å; N73-F109 HydrophobicContact CB-CB 4.21Å; N73-I110 VanDerWaalsContact CA-O 3.25Å; N73-I110 WeakPolarHBondContact CA-O 3.08Å
74	F	82.3	Confident	77.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	159.3	177.1	53.2	-89.2	0	0	0	110	L63 A67 D78 F79 F109 I110 Y112 L115	L63-F74 HydrophobicContact CD1-CD1 3.66Å; L63-F74 HydrophobicContact CD1-CD2 3.85Å; L63-F74 HydrophobicContact CD1-CE1 3.67Å; L63-F74 HydrophobicContact CD1-CE2 3.87Å; L63-F74 HydrophobicContact CD1-CG 3.75Å; L63-F74 HydrophobicContact CD1-CZ 3.78Å; L63-F74 HydrophobicContact CD2-CB 4.06Å; L63-F74 HydrophobicContact CD2-CD2 3.98Å; L63-F74 HydrophobicContact CD2-CG 3.97Å; L63-F74 HydrophobicContact CG-CG 4.39Å; A67-F74 HydrophobicContact CB-CB 3.83Å; F74-D78 HydrophobicContact CB-CB 4.2Å; F74-F79 HydrophobicContact CD2-CB 3.87Å; F74-F79 HydrophobicContact CD2-CD2 4.43Å; F74-F79 HydrophobicContact CE2-CB 3.71Å; F74-F79 AromaticContact CE2-CD2 3.54Å; F74-F79 HydrophobicContact CE2-CD2 3.54Å; F74-F79 AromaticContact CE2-CG 3.98Å; F74-F79 HydrophobicContact CE2-CG 3.98Å; F74-F79 HydrophobicContact CZ-CD2 4.15Å; F74-F109 CarbonylContact O-C 3.5Å; F74-F109 WeakPolarHBondContact O-CA 3.12Å; F74-I110 WeakPolarHBondContact CD1-O 3.17Å; F74-I110 HydrophobicContact CD2-CB 4.05Å; F74-I110 HydrophobicContact CE1-CB 4.34Å; F74-I110 HydrophobicContact CE1-CG2 4.11Å; F74-I110 WeakPolarHBondContact CE1-O 3.26Å; F74-I110 HydrophobicContact CE2-CB 3.48Å; F74-I110 VanDerWaalsContact CE2-CB 3.48Å; F74-I110 HydrophobicContact CE2-CD1 3.89Å; F74-I110 HydrophobicContact CE2-CG1 4.26Å; F74-I110 HydrophobicContact CE2-CG2 3.64Å; F74-I110 HydrophobicContact CZ-CB 3.65Å; F74-I110 HydrophobicContact CZ-CG2 3.33Å; F74-I110 PolarHBondContact N-O 2.98Å; F74-I110 PolarHBondContact O-N 3Å; F74-Y112 HydrophobicContact CD1-CD1 4.05Å; F74-Y112 HydrophobicContact CD1-CD2 4.35Å; F74-Y112 AromaticContact CD1-CE1 3.9Å; F74-Y112 HydrophobicContact CD1-CE1 3.9Å; F74-Y112 HydrophobicContact CD1-CE2 4.19Å; F74-Y112 HydrophobicContact CD1-CG 4.29Å; F74-Y112 AromaticContact CD1-CZ 3.98Å; F74-Y112 AromaticContact CE1-CD1 3.82Å; F74-Y112 HydrophobicContact CE1-CD1 3.82Å; F74-Y112 HydrophobicContact CE1-CE1 4.05Å; F74-Y112 HydrophobicContact CE1-CG 4.15Å; F74-L115 HydrophobicContact CE1-CD1 3.91Å; F74-L115 HydrophobicContact CE1-CG 4.17Å; F74-L115 HydrophobicContact CZ-CD1 3.86Å; F74-L115 HydrophobicContact CZ-CD2 3.8Å; F74-L115 HydrophobicContact CZ-CG 3.79Å
75	T	82.4	Confident	77.8	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	170.2	-179.6	71.9	0	0	0	0	111.5	Y69 D77 D78 F79 F109 N171	Y69-T75 HydrophobicContact CD1-CG2 4.18Å; Y69-T75 HydrophobicContact CD2-CG2 3.95Å; Y69-T75 HydrophobicContact CE1-CG2 3.91Å; Y69-T75 HydrophobicContact CE2-CG2 3.7Å; Y69-T75 HydrophobicContact CG-CG2 4.19Å; T75-D77 PolarHBondContact O-N 3.26Å; T75-D77 PolarHBondContact OG1-N 3.35Å; T75-D78 WeakPolarHBondContact CA-OD2 3.47Å; T75-D78 VanDerWaalsContact CB-OD2 3.32Å; T75-D78 WeakPolarHBondContact CB-OD2 3.38Å; T75-D78 PolarHBondContact N-OD2 2.93Å; T75-D78 PolarHBondContact O-N 3.1Å; T75-D78 PolarHBondContact OG1-N 3.47Å; T75-D78 PolarHBondContact OG1-OD2 2.74Å; T75-F79 PolarHBondContact O-N 3.17Å; T75-F79 VanDerWaalsContact O-N 3.08Å; T75-F109 HydrophobicContact CG2-CD1 4.09Å; T75-F109 HydrophobicContact CG2-CE1 3.8Å; T75-N171 VanDerWaalsContact CG2-ND2 3.35Å; T75-N171 WeakPolarHBondContact CG2-ND2 3.38Å
76	Y	83.9	Confident	78.6	Confident	24 Å²	24	36.4 Å²	36.4	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-32.9	175.2	-69.3	8.1	0	0	0	112.5	K80 T99 D103 I110 I137	Y76-K80 WeakPolarHBondContact O-CB 3.37Å; Y76-K80 WeakPolarHBondContact O-CD 3.45Å; Y76-K80 WeakPolarHBondContact O-CG 3.39Å; Y76-K80 PolarHBondContact O-N 2.97Å; Y76-T99 HydrophobicContact CG-CG2 4.37Å; Y76-D103 HydrophobicContact CE1-CB 3.72Å; Y76-D103 WeakPolarHBondContact OH-CB 3.23Å; Y76-D103 PolarHBondContact OH-OD2 2.75Å; Y76-I110 HydrophobicContact CD1-CD1 3.83Å; Y76-I110 HydrophobicContact CD1-CG1 4.03Å; Y76-I110 HydrophobicContact CE1-CD1 4.02Å; Y76-I110 HydrophobicContact CE1-CG1 3.88Å; Y76-I137 HydrophobicContact CD2-CG2 4.18Å; Y76-I137 HydrophobicContact CE2-CG2 3.87Å
77	D	80.6	Confident	79.6	Confident	72 Å²	72	41 Å²	41	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-74.1	-37.9	-178.9	-71.9	-13.3	0	0	0	111.1	T75 F79 K80 A81 S140	T75-D77 PolarHBondContact O-N 3.26Å; T75-D77 PolarHBondContact OG1-N 3.35Å; D77-F79 VanDerWaalsContact C-N 3.35Å; D77-K80 PolarHBondContact O-N 3.24Å; D77-A81 WeakPolarHBondContact O-CB 3.38Å; D77-A81 PolarHBondContact O-N 3.01Å; D77-S140 WeakPolarHBondContact OD2-CB 3.35Å; D77-S140 PolarHBondContact OD2-OG 3.42Å
78	D	83.5	Confident	80.6	Confident	16 Å²	16	41.3 Å²	41.3	9%	0.086	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-44.4	173.3	-47.3	-48.7	0	0	0	110.5	L63 A67 Y69 F74 T75 K80 A81 A82	L63-D78 VanDerWaalsContact CD2-C 3.47Å; L63-D78 HydrophobicContact CD2-CB 3.61Å; L63-D78 WeakPolarHBondContact CD2-O 3.29Å; A67-D78 HydrophobicContact CB-CB 4.42Å; Y69-D78 WeakPolarHBondContact CD2-OD2 3.4Å; Y69-D78 WeakPolarHBondContact CE2-OD1 3.43Å; Y69-D78 WeakPolarHBondContact CE2-OD2 3.2Å; F74-D78 HydrophobicContact CB-CB 4.2Å; T75-D78 WeakPolarHBondContact CA-OD2 3.47Å; T75-D78 VanDerWaalsContact CB-OD2 3.32Å; T75-D78 WeakPolarHBondContact CB-OD2 3.38Å; T75-D78 PolarHBondContact N-OD2 2.93Å; T75-D78 PolarHBondContact O-N 3.1Å; T75-D78 PolarHBondContact OG1-N 3.47Å; T75-D78 PolarHBondContact OG1-OD2 2.74Å; D78-K80 PolarHBondContact O-N 2.99Å; D78-A81 PolarHBondContact O-N 2.92Å; D78-A82 WeakPolarHBondContact O-CB 3.45Å; D78-A82 PolarHBondContact O-N 3.41Å
79	F	87.2	Confident	81.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-47.1	175.8	-174.4	-101.2	0	0	0	111.6	I59 F74 T75 D77 A81 A82 V83 I98 T99 L102 I110 L115	I59-F79 HydrophobicContact CG2-CD2 4.37Å; I59-F79 HydrophobicContact CG2-CE2 4.24Å; F74-F79 HydrophobicContact CD2-CB 3.87Å; F74-F79 HydrophobicContact CD2-CD2 4.43Å; F74-F79 HydrophobicContact CE2-CB 3.71Å; F74-F79 AromaticContact CE2-CD2 3.54Å; F74-F79 HydrophobicContact CE2-CD2 3.54Å; F74-F79 AromaticContact CE2-CG 3.98Å; F74-F79 HydrophobicContact CE2-CG 3.98Å; F74-F79 HydrophobicContact CZ-CD2 4.15Å; T75-F79 PolarHBondContact O-N 3.17Å; T75-F79 VanDerWaalsContact O-N 3.08Å; D77-F79 VanDerWaalsContact C-N 3.35Å; F79-A81 PolarHBondContact O-N 3.36Å; F79-A82 PolarHBondContact O-N 3.39Å; F79-V83 HydrophobicContact CD1-CG1 4.17Å; F79-V83 HydrophobicContact CD2-CG1 4.38Å; F79-V83 HydrophobicContact CE1-CG1 3.74Å; F79-V83 HydrophobicContact CE2-CG1 3.94Å; F79-V83 HydrophobicContact CZ-CG1 3.62Å; F79-V83 WeakPolarHBondContact O-CG1 3.39Å; F79-V83 WeakPolarHBondContact O-CG2 3.44Å; F79-V83 PolarHBondContact O-N 3.4Å; F79-I98 HydrophobicContact CE1-CG2 3.82Å; F79-I98 HydrophobicContact CZ-CG2 3.92Å; F79-T99 HydrophobicContact CB-CG2 4.36Å; F79-T99 HydrophobicContact CD1-CG2 3.36Å; F79-T99 HydrophobicContact CE1-CG2 3.98Å; F79-T99 HydrophobicContact CG-CG2 4.17Å; F79-L102 HydrophobicContact CE1-CD1 4.38Å; F79-L102 HydrophobicContact CE2-CD1 4.06Å; F79-L102 HydrophobicContact CZ-CD1 3.87Å; F79-I110 HydrophobicContact CB-CD1 4.38Å; F79-I110 HydrophobicContact CG-CD1 4.42Å; F79-L115 HydrophobicContact CD2-CD2 4.13Å; F79-L115 HydrophobicContact CE2-CD2 3.56Å
80	K	87.3	Confident	82.9	Confident	47 Å²	47	41.1 Å²	41.1	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-47.4	176.9	-78.6	167.6	-179.5	-177.5	0	111.3	Y76 D77 D78 V83 L84 I95 D96	Y76-K80 WeakPolarHBondContact O-CB 3.37Å; Y76-K80 WeakPolarHBondContact O-CD 3.45Å; Y76-K80 WeakPolarHBondContact O-CG 3.39Å; Y76-K80 PolarHBondContact O-N 2.97Å; D77-K80 PolarHBondContact O-N 3.24Å; D78-K80 PolarHBondContact O-N 2.99Å; K80-V83 WeakPolarHBondContact O-CG2 3.44Å; K80-V83 PolarHBondContact O-N 3.18Å; K80-L84 VanDerWaalsContact O-CB 3.28Å; K80-L84 WeakPolarHBondContact O-CB 3.01Å; K80-L84 WeakPolarHBondContact O-CG 3.43Å; K80-L84 PolarHBondContact O-N 3.36Å; K80-I95 HydrophobicContact CG-CG2 3.77Å; K80-D96 WeakPolarHBondContact CE-OD1 3.29Å; K80-D96 IonicContact NZ-OD1 3.1Å; K80-D96 PolarHBondContact NZ-OD1 2.95Å
81	A	83.9	Confident	83.9	Confident	47 Å²	47	44.6 Å²	44.6	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-49.5	176.8	0	0	0	0	0	110.6	D77 D78 F79 V83 L84 S85	D77-A81 WeakPolarHBondContact O-CB 3.38Å; D77-A81 PolarHBondContact O-N 3.01Å; D78-A81 PolarHBondContact O-N 2.92Å; F79-A81 PolarHBondContact O-N 3.36Å; A81-V83 PolarHBondContact O-N 3.17Å; A81-L84 PolarHBondContact O-N 2.79Å; A81-S85 PolarHBondContact O-N 3.47Å; A81-S85 PolarHBondContact O-OG 3.4Å
82	A	86.9	Confident	84.6	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-45.6	179.9	0	0	0	0	0	112.8	I59 L62 L63 D78 F79 S85 L86	I59-A82 HydrophobicContact CG2-CB 4.42Å; L62-A82 HydrophobicContact CB-CB 4.02Å; L62-A82 HydrophobicContact CD1-CB 4.4Å; L63-A82 HydrophobicContact CD2-CB 3.95Å; L63-A82 HydrophobicContact CG-CB 4.03Å; D78-A82 WeakPolarHBondContact O-CB 3.45Å; D78-A82 PolarHBondContact O-N 3.41Å; F79-A82 PolarHBondContact O-N 3.39Å; A82-S85 PolarHBondContact O-N 2.84Å; A82-L86 WeakPolarHBondContact O-CG 3.39Å; A82-L86 PolarHBondContact O-N 2.95Å
83	V	88.2	Confident	85	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-71	-34.4	179.2	-59.1	0	0	0	0	112.3	W51 I59 F79 K80 A81 L86 N87 C88 I95	W51-V83 HydrophobicContact CH2-CB 4.07Å; W51-V83 HydrophobicContact CH2-CG1 4.13Å; W51-V83 HydrophobicContact CZ3-CB 4.27Å; W51-V83 HydrophobicContact CZ3-CG1 3.91Å; I59-V83 HydrophobicContact CD1-CG1 4.29Å; F79-V83 HydrophobicContact CD1-CG1 4.17Å; F79-V83 HydrophobicContact CD2-CG1 4.38Å; F79-V83 HydrophobicContact CE1-CG1 3.74Å; F79-V83 HydrophobicContact CE2-CG1 3.94Å; F79-V83 HydrophobicContact CZ-CG1 3.62Å; F79-V83 WeakPolarHBondContact O-CG1 3.39Å; F79-V83 WeakPolarHBondContact O-CG2 3.44Å; F79-V83 PolarHBondContact O-N 3.4Å; K80-V83 WeakPolarHBondContact O-CG2 3.44Å; K80-V83 PolarHBondContact O-N 3.18Å; A81-V83 PolarHBondContact O-N 3.17Å; V83-L86 PolarHBondContact O-N 3.01Å; V83-N87 PolarHBondContact O-N 3.08Å; V83-C88 HydrophobicContact CB-CB 3.91Å; V83-C88 HydrophobicContact CG2-CB 4.37Å; V83-C88 WeakPolarHBondContact O-CB 3.25Å; V83-C88 PolarHBondContact O-N 3.17Å; V83-C88 VanDerWaalsContact O-N 3.12Å; V83-I95 HydrophobicContact CG2-CD1 4Å; V83-I95 HydrophobicContact CG2-CG1 4.38Å; V83-I95 HydrophobicContact CG2-CG2 4.08Å
84	L	85.9	Confident	85.3	Confident	97 Å²	97	43.7 Å²	43.7	51%	0.508	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-42.4	174.2	-74.7	175.1	0	0	0	111.3	K80 A81 L86 N87	K80-L84 VanDerWaalsContact O-CB 3.28Å; K80-L84 WeakPolarHBondContact O-CB 3.01Å; K80-L84 WeakPolarHBondContact O-CG 3.43Å; K80-L84 PolarHBondContact O-N 3.36Å; A81-L84 PolarHBondContact O-N 2.79Å; L84-L86 PolarHBondContact O-N 2.98Å; L84-N87 PolarHBondContact O-N 2.66Å
85	S	84.4	Confident	85.6	Confident	33 Å²	33	44.1 Å²	44.1	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-24.4	174.3	-60.4	0	0	0	0	113.4	A81 A82	A81-S85 PolarHBondContact O-N 3.47Å; A81-S85 PolarHBondContact O-OG 3.4Å; A82-S85 PolarHBondContact O-N 2.84Å
86	L	86	Confident	85.7	Confident	39 Å²	39	45.2 Å²	45.2	20%	0.204	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	13.6	176.8	-64	175.9	0	0	0	113.6	W51 H55 Q58 I59 L62 A82 V83 L84 C88	W51-L86 HydrophobicContact CH2-CB 4.14Å; W51-L86 HydrophobicContact CH2-CD1 4.42Å; W51-L86 HydrophobicContact CZ2-CB 4.11Å; H55-L86 HydrophobicContact CB-CD1 4.27Å; Q58-L86 HydrophobicContact CB-CD1 3.97Å; Q58-L86 HydrophobicContact CB-CD2 4.13Å; I59-L86 HydrophobicContact CG1-CD1 3.51Å; L62-L86 HydrophobicContact CD1-CD1 4.02Å; L62-L86 HydrophobicContact CD1-CD2 3.81Å; L62-L86 HydrophobicContact CD1-CG 3.65Å; A82-L86 WeakPolarHBondContact O-CG 3.39Å; A82-L86 PolarHBondContact O-N 2.95Å; V83-L86 PolarHBondContact O-N 3.01Å; L84-L86 PolarHBondContact O-N 2.98Å; L86-C88 VanDerWaalsContact C-N 3.29Å; L86-C88 PolarHBondContact O-N 2.81Å
87	N	84.7	Confident	85.8	Confident	133 Å²	133	44.3 Å²	44.3	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	47.2	-178	-65.5	-43.5	0	0	0	112.6	V83 L84	V83-N87 PolarHBondContact O-N 3.08Å; L84-N87 PolarHBondContact O-N 2.66Å
88	C	85.4	Confident	86.1	Confident	19 Å²	19	41 Å²	41	13%	0.128	23%	0.225	C	C	.	.			trans	-54.4	133.2	-179	-172.3	0	0	0	0	112.1	W51 V83 L86 F90	W51-C88 HydrophobicContact CH2-CB 3.75Å; W51-C88 HydrophobicContact CZ2-CB 3.78Å; W51-C88 HydrophobicContact CZ3-CB 4.37Å; V83-C88 HydrophobicContact CB-CB 3.91Å; V83-C88 HydrophobicContact CG2-CB 4.37Å; V83-C88 WeakPolarHBondContact O-CB 3.25Å; V83-C88 PolarHBondContact O-N 3.17Å; V83-C88 VanDerWaalsContact O-N 3.12Å; L86-C88 VanDerWaalsContact C-N 3.29Å; L86-C88 PolarHBondContact O-N 2.81Å; C88-F90 PolarHBondContact O-N 2.68Å; C88-F90 VanDerWaalsContact O-N 3.16Å; C88-F90 WeakPolarHBondContact SG-CD2 3.37Å
89	P	86.5	Confident	86.3	Confident	85 Å²	85	40.3 Å²	40.3	55%	0.552	22%	0.221	S	C	*	.	S	Bend	trans	-78.3	5.3	-176.6	33.5	-38.1	0	0	0	113.7	W51	W51-P89 HydrophobicContact CG-CG 4.37Å; W51-P89 VanDerWaalsContact NE1-CD 3.28Å
90	F	89	Confident	85.9	Confident	14 Å²	14	41.5 Å²	41.5	6%	0.061	23%	0.226	C	C	.	.	S	Bend	trans	-94	142.9	-177.6	-57.8	-51.8	0	0	0	111.4	F44 R47 S48 W51 C88 E94 I95 I98	F44-F90 HydrophobicContact CE2-CD1 4.42Å; R47-F90 HydrophobicContact CB-CE1 4.2Å; R47-F90 HydrophobicContact CB-CZ 4.49Å; S48-F90 WeakPolarHBondContact OG-CE1 3.36Å; S48-F90 WeakPolarHBondContact OG-CZ 3.48Å; W51-F90 HydrophobicContact CB-CE2 3.87Å; W51-F90 HydrophobicContact CB-CZ 3.85Å; W51-F90 HydrophobicContact CD2-CE2 4.1Å; W51-F90 HydrophobicContact CE3-CE2 4.08Å; W51-F90 HydrophobicContact CG-CE2 4Å; W51-F90 HydrophobicContact CG-CZ 4.28Å; C88-F90 PolarHBondContact O-N 2.68Å; C88-F90 VanDerWaalsContact O-N 3.16Å; C88-F90 WeakPolarHBondContact SG-CD2 3.37Å; F90-E94 HydrophobicContact CB-CB 3.86Å; F90-I95 HydrophobicContact CB-CG1 3.96Å; F90-I98 HydrophobicContact CD2-CD1 3.56Å; F90-I98 HydrophobicContact CE2-CD1 4.07Å; F90-I98 HydrophobicContact CG-CD1 4.12Å
91	T	88.2	Confident	85.7	Confident	79 Å²	79	39.7 Å²	39.7	49%	0.485	22%	0.218	S	C	.	.			trans	-64.9	157.9	172.5	62	0	0	0	0	111	F93 E94 I95	T91-F93 PolarHBondContact O-N 2.83Å; T91-F93 VanDerWaalsContact O-N 3.13Å; T91-E94 PolarHBondContact N-OE2 3.13Å; T91-E94 WeakPolarHBondContact O-CB 3.38Å; T91-E94 PolarHBondContact O-N 3.01Å; T91-E94 WeakPolarHBondContact OG1-CB 3.48Å; T91-E94 VanDerWaalsContact OG1-CG 3.31Å; T91-E94 WeakPolarHBondContact OG1-CG 3.18Å; T91-E94 PolarHBondContact OG1-N 3.46Å; T91-E94 PolarHBondContact OG1-OE2 3.24Å; T91-I95 WeakPolarHBondContact O-CG1 3.47Å; T91-I95 PolarHBondContact O-N 2.91Å
92	K	84	Confident	85.8	Confident	132 Å²	132	37.5 Å²	37.5	57%	0.574	20%	0.2	S	C	*	.	H	α-helix	trans	-51.4	-39.3	175.2	-174.4	174.1	-177	170.9	0	112.9	I95 D96 F293	K92-I95 PolarHBondContact O-N 2.8Å; K92-D96 PolarHBondContact O-N 3.15Å; K92-F293 HydrophobicContact CB-CZ 4.49Å; K92-F293 HydrophobicContact CD-CZ 4.35Å
93	F	84.7	Confident	85.6	Confident	50 Å²	50	37.6 Å²	37.6	22%	0.219	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-44.4	176.2	171.8	-99.4	0	0	0	112.4	L27 K30 I31 F34 T91 I95 D96 V97	L27-F93 HydrophobicContact CD1-CD2 3.86Å; L27-F93 HydrophobicContact CD1-CE2 3.92Å; K30-F93 HydrophobicContact CB-CE2 3.74Å; K30-F93 HydrophobicContact CB-CZ 4.18Å; I31-F93 HydrophobicContact CG1-CE2 3.72Å; I31-F93 HydrophobicContact CG1-CZ 3.89Å; F34-F93 HydrophobicContact CB-CE1 3.94Å; F34-F93 HydrophobicContact CB-CZ 3.97Å; F34-F93 HydrophobicContact CD1-CE1 4.02Å; F34-F93 HydrophobicContact CD2-CE1 4.12Å; F34-F93 AromaticContact CG-CE1 3.77Å; F34-F93 HydrophobicContact CG-CE1 3.77Å; F34-F93 HydrophobicContact CG-CZ 4.27Å; T91-F93 PolarHBondContact O-N 2.83Å; T91-F93 VanDerWaalsContact O-N 3.13Å; F93-I95 VanDerWaalsContact C-N 3.34Å; F93-D96 WeakPolarHBondContact O-CB 3.34Å; F93-D96 PolarHBondContact O-N 3.29Å; F93-V97 HydrophobicContact CE1-CG2 4.11Å; F93-V97 HydrophobicContact CE2-CG2 4.46Å; F93-V97 HydrophobicContact CZ-CG2 4.07Å; F93-V97 WeakPolarHBondContact O-CG2 3.34Å; F93-V97 PolarHBondContact O-N 2.98Å
94	E	86.8	Confident	85.1	Confident	22 Å²	22	41.8 Å²	41.8	10%	0.103	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-39.8	175.9	-79.1	170.4	138.1	0	0	111.6	F34 F44 R47 F90 T91 D96 V97 I98	F34-E94 HydrophobicContact CZ-CG 4.47Å; F44-E94 HydrophobicContact CD2-CB 4.34Å; F44-E94 HydrophobicContact CD2-CG 3.88Å; F44-E94 HydrophobicContact CE2-CB 3.59Å; F44-E94 HydrophobicContact CE2-CG 3.61Å; F44-E94 HydrophobicContact CZ-CB 4.19Å; F44-E94 HydrophobicContact CZ-CG 4.36Å; R47-E94 IonicContact NH2-OE1 2.9Å; F90-E94 HydrophobicContact CB-CB 3.86Å; T91-E94 PolarHBondContact N-OE2 3.13Å; T91-E94 WeakPolarHBondContact O-CB 3.38Å; T91-E94 PolarHBondContact O-N 3.01Å; T91-E94 WeakPolarHBondContact OG1-CB 3.48Å; T91-E94 VanDerWaalsContact OG1-CG 3.31Å; T91-E94 WeakPolarHBondContact OG1-CG 3.18Å; T91-E94 PolarHBondContact OG1-N 3.46Å; T91-E94 PolarHBondContact OG1-OE2 3.24Å; E94-D96 VanDerWaalsContact C-N 3.33Å; E94-D96 PolarHBondContact O-N 2.9Å; E94-V97 WeakPolarHBondContact O-CB 3.47Å; E94-V97 PolarHBondContact O-N 3.16Å; E94-V97 VanDerWaalsContact O-N 3.1Å; E94-I98 WeakPolarHBondContact O-CG1 3.39Å; E94-I98 PolarHBondContact O-N 2.79Å
95	I	88	Confident	84.6	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-42.1	173.8	-62.5	167.7	0	0	0	110.7	K80 V83 F90 T91 K92 F93 V97 I98 T99	K80-I95 HydrophobicContact CG-CG2 3.77Å; V83-I95 HydrophobicContact CG2-CD1 4Å; V83-I95 HydrophobicContact CG2-CG1 4.38Å; V83-I95 HydrophobicContact CG2-CG2 4.08Å; F90-I95 HydrophobicContact CB-CG1 3.96Å; T91-I95 WeakPolarHBondContact O-CG1 3.47Å; T91-I95 PolarHBondContact O-N 2.91Å; K92-I95 PolarHBondContact O-N 2.8Å; F93-I95 VanDerWaalsContact C-N 3.34Å; I95-V97 PolarHBondContact O-N 3.12Å; I95-I98 PolarHBondContact O-N 2.8Å; I95-T99 PolarHBondContact O-N 3.48Å; I95-T99 PolarHBondContact O-OG1 3.05Å
96	D	84.8	Confident	84.1	Confident	27 Å²	27	44 Å²	44	14%	0.144	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-30.6	174.3	-75.2	-31.5	0	0	0	112.8	K80 K92 F93 E94 T99 R100	K80-D96 WeakPolarHBondContact CE-OD1 3.29Å; K80-D96 IonicContact NZ-OD1 3.1Å; K80-D96 PolarHBondContact NZ-OD1 2.95Å; K92-D96 PolarHBondContact O-N 3.15Å; F93-D96 WeakPolarHBondContact O-CB 3.34Å; F93-D96 PolarHBondContact O-N 3.29Å; E94-D96 VanDerWaalsContact C-N 3.33Å; E94-D96 PolarHBondContact O-N 2.9Å; D96-T99 PolarHBondContact O-OG1 2.97Å; D96-T99 VanDerWaalsContact O-OG1 3.13Å; D96-R100 WeakPolarHBondContact O-CD 3.46Å; D96-R100 WeakPolarHBondContact O-CG 3.24Å; D96-R100 PolarHBondContact O-N 3.4Å
97	V	84.8	Confident	83.5	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	24%	0.235	C	C	.	.	H	α-helix	trans	-72.9	-42.7	173.4	175.1	0	0	0	0	110.4	I31 Y41 F44 F93 E94 I95 R100 L101	I31-V97 HydrophobicContact CG1-CG2 4.09Å; Y41-V97 HydrophobicContact CE2-CG1 4.48Å; F44-V97 HydrophobicContact CE1-CB 4.35Å; F44-V97 HydrophobicContact CE1-CG1 3.76Å; F44-V97 HydrophobicContact CZ-CB 4.22Å; F44-V97 HydrophobicContact CZ-CG1 4.11Å; F93-V97 HydrophobicContact CE1-CG2 4.11Å; F93-V97 HydrophobicContact CE2-CG2 4.46Å; F93-V97 HydrophobicContact CZ-CG2 4.07Å; F93-V97 WeakPolarHBondContact O-CG2 3.34Å; F93-V97 PolarHBondContact O-N 2.98Å; E94-V97 WeakPolarHBondContact O-CB 3.47Å; E94-V97 PolarHBondContact O-N 3.16Å; E94-V97 VanDerWaalsContact O-N 3.1Å; I95-V97 PolarHBondContact O-N 3.12Å; V97-R100 PolarHBondContact O-N 3.2Å; V97-L101 HydrophobicContact CG1-CD1 4.06Å; V97-L101 HydrophobicContact CG1-CG 4.49Å; V97-L101 WeakPolarHBondContact O-CG 3.12Å; V97-L101 PolarHBondContact O-N 3.4Å
98	I	87.8	Confident	83.1	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-51.1	177.6	-67.7	167.1	0	0	0	110.9	F44 I52 F79 F90 E94 I95 R100 L101 L102 L119	F44-I98 HydrophobicContact CE2-CD1 4.37Å; F44-I98 HydrophobicContact CE2-CG1 4.34Å; F44-I98 HydrophobicContact CZ-CD1 4.36Å; F44-I98 HydrophobicContact CZ-CG1 3.83Å; I52-I98 HydrophobicContact CD1-CG2 3.65Å; F79-I98 HydrophobicContact CE1-CG2 3.82Å; F79-I98 HydrophobicContact CZ-CG2 3.92Å; F90-I98 HydrophobicContact CD2-CD1 3.56Å; F90-I98 HydrophobicContact CE2-CD1 4.07Å; F90-I98 HydrophobicContact CG-CD1 4.12Å; E94-I98 WeakPolarHBondContact O-CG1 3.39Å; E94-I98 PolarHBondContact O-N 2.79Å; I95-I98 PolarHBondContact O-N 2.8Å; I98-R100 PolarHBondContact O-N 3Å; I98-L101 PolarHBondContact O-N 3.45Å; I98-L101 VanDerWaalsContact O-N 3.08Å; I98-L102 HydrophobicContact CG2-CD1 3.76Å; I98-L102 HydrophobicContact CG2-CG 4.32Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 2.85Å; I98-L119 HydrophobicContact CG1-CD1 4.24Å; I98-L119 HydrophobicContact CG2-CD1 4.45Å; I98-L119 HydrophobicContact CG2-CD2 4.41Å
99	T	86.8	Confident	82.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-38.4	-178.6	50.3	0	0	0	0	112	Y76 F79 I95 D96 L102 D103 I110	Y76-T99 HydrophobicContact CG-CG2 4.37Å; F79-T99 HydrophobicContact CB-CG2 4.36Å; F79-T99 HydrophobicContact CD1-CG2 3.36Å; F79-T99 HydrophobicContact CE1-CG2 3.98Å; F79-T99 HydrophobicContact CG-CG2 4.17Å; I95-T99 PolarHBondContact O-N 3.48Å; I95-T99 PolarHBondContact O-OG1 3.05Å; D96-T99 PolarHBondContact O-OG1 2.97Å; D96-T99 VanDerWaalsContact O-OG1 3.13Å; T99-L102 PolarHBondContact O-N 3.19Å; T99-D103 PolarHBondContact O-N 3.23Å; T99-I110 HydrophobicContact CG2-CD1 4.11Å
100	R	80.1	Confident	82.8	Confident	27 Å²	27	35.3 Å²	35.3	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-36.3	176.2	-71.6	169.8	-174.2	-133.3	-3.2	113.6	I31 D96 V97 I98 L102	I31-R100 VanDerWaalsContact CD1-CZ 3.4Å; D96-R100 WeakPolarHBondContact O-CD 3.46Å; D96-R100 WeakPolarHBondContact O-CG 3.24Å; D96-R100 PolarHBondContact O-N 3.4Å; V97-R100 PolarHBondContact O-N 3.2Å; I98-R100 PolarHBondContact O-N 3Å; R100-L102 VanDerWaalsContact C-N 3.32Å
101	L	83.3	Confident	82.5	Confident	9 Å²	9	38.3 Å²	38.3	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-70.9	-32.9	177	-73.2	171.3	0	0	0	111.3	L45 V97 I98 L119 L122	L45-L101 HydrophobicContact CD2-CD1 3.62Å; V97-L101 HydrophobicContact CG1-CD1 4.06Å; V97-L101 HydrophobicContact CG1-CG 4.49Å; V97-L101 WeakPolarHBondContact O-CG 3.12Å; V97-L101 PolarHBondContact O-N 3.4Å; I98-L101 PolarHBondContact O-N 3.45Å; I98-L101 VanDerWaalsContact O-N 3.08Å; L101-L119 HydrophobicContact CB-CD2 3.91Å; L101-L119 HydrophobicContact CD1-CB 4.43Å; L101-L119 HydrophobicContact CD1-CD2 4.46Å; L101-L122 WeakPolarHBondContact O-CB 3.28Å; L101-L122 VanDerWaalsContact O-CD1 3.23Å; L101-L122 WeakPolarHBondContact O-CD1 3.16Å
102	L	85.2	Confident	82.2	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-75	-35.9	178.3	-67.5	171.9	0	0	0	112.7	F79 I98 T99 R100 K104 I110 D114 L115 L119 L122	F79-L102 HydrophobicContact CE1-CD1 4.38Å; F79-L102 HydrophobicContact CE2-CD1 4.06Å; F79-L102 HydrophobicContact CZ-CD1 3.87Å; I98-L102 HydrophobicContact CG2-CD1 3.76Å; I98-L102 HydrophobicContact CG2-CG 4.32Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 2.85Å; T99-L102 PolarHBondContact O-N 3.19Å; R100-L102 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.24Å; L102-I110 HydrophobicContact CB-CB 4.5Å; L102-I110 HydrophobicContact CB-CD1 4.02Å; L102-I110 HydrophobicContact CB-CG1 4.05Å; L102-I110 HydrophobicContact CB-CG2 3.64Å; L102-I110 HydrophobicContact CD1-CD1 4.35Å; L102-I110 HydrophobicContact CD1-CG2 4.36Å; L102-D114 HydrophobicContact CD2-CB 4.42Å; L102-D114 VanDerWaalsContact CD2-O 3.27Å; L102-D114 WeakPolarHBondContact CD2-O 3.32Å; L102-L115 HydrophobicContact CD1-CD2 4.08Å; L102-L119 HydrophobicContact CD2-CD2 3.71Å; L102-L119 HydrophobicContact CG-CD2 3.88Å; L102-L122 HydrophobicContact CD2-CD1 3.96Å
103	D	83.7	Confident	82.2	Confident	3 Å²	3	36 Å²	36	2%	0.016	17%	0.171	C	C	.	.			trans	-79.4	81.9	175.2	-179.5	6.5	0	0	0	112	Y76 T99 N105 K106 N107 G108 F109 I110	Y76-D103 HydrophobicContact CE1-CB 3.72Å; Y76-D103 WeakPolarHBondContact OH-CB 3.23Å; Y76-D103 PolarHBondContact OH-OD2 2.75Å; T99-D103 PolarHBondContact O-N 3.23Å; D103-N105 PolarHBondContact O-N 2.92Å; D103-N105 PolarHBondContact OD1-N 3.15Å; D103-K106 PolarHBondContact O-N 2.76Å; D103-K106 WeakPolarHBondContact OD1-CA 3.44Å; D103-K106 PolarHBondContact OD1-N 3.45Å; D103-K106 VanDerWaalsContact OD2-C 3.28Å; D103-K106 WeakPolarHBondContact OD2-CA 3.03Å; D103-N107 PolarHBondContact OD1-N 3.28Å; D103-N107 PolarHBondContact OD1-OD1 3.33Å; D103-N107 PolarHBondContact OD2-N 3.11Å; D103-G108 WeakPolarHBondContact OD2-CA 3.35Å; D103-G108 PolarHBondContact OD2-N 2.71Å; D103-F109 VanDerWaalsContact CG-O 3.3Å; D103-I110 HydrophobicContact CB-CG1 4.17Å
104	K	77.3	Confident	82.1	Confident	91 Å²	91	34 Å²	34	40%	0.396	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.6	177.2	-68.6	172.5	176.7	160	0	112.8	L102 D114 L122	L102-K104 PolarHBondContact O-N 3.24Å; K104-D114 WeakPolarHBondContact CE-OD1 3.35Å; K104-D114 IonicContact NZ-OD1 2.67Å; K104-D114 PolarHBondContact NZ-OD1 3.38Å; K104-L122 HydrophobicContact CD-CD2 4.19Å; K104-L122 HydrophobicContact CG-CD2 4.08Å
105	N	74.8	Confident	81.8	Confident	108 Å²	108	33.1 Å²	33.1	58%	0.578	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.8	-170.7	-63.8	-19.5	0	0	0	112.6	D103 N107	D103-N105 PolarHBondContact O-N 2.92Å; D103-N105 PolarHBondContact OD1-N 3.15Å; N105-N107 PolarHBondContact O-N 2.81Å
106	K	74.3	Confident	81	Confident	69 Å²	69	37.5 Å²	37.5	30%	0.3	19%	0.187	S	C	.	.			trans	55.3	35.6	179.8	-66.2	157.5	172.9	175.3	0	111.4	D103 D126 L132	D103-K106 PolarHBondContact O-N 2.76Å; D103-K106 WeakPolarHBondContact OD1-CA 3.44Å; D103-K106 PolarHBondContact OD1-N 3.45Å; D103-K106 VanDerWaalsContact OD2-C 3.28Å; D103-K106 WeakPolarHBondContact OD2-CA 3.03Å; K106-D126 IonicContact NZ-OD1 3.26Å; K106-D126 PolarHBondContact NZ-OD1 3.24Å; K106-D126 IonicContact NZ-OD2 2.65Å; K106-D126 PolarHBondContact NZ-OD2 3.14Å; K106-L132 HydrophobicContact CB-CD2 4.13Å; K106-L132 HydrophobicContact CD-CD1 4.48Å; K106-L132 HydrophobicContact CD-CD2 3.52Å; K106-L132 HydrophobicContact CD-CG 4.26Å; K106-L132 HydrophobicContact CG-CD2 3.83Å
107	N	73.6	Confident	80.3	Confident	77 Å²	77	38.1 Å²	38.1	41%	0.412	19%	0.193	S	C	.	.	S	Bend	trans	-97.7	-4.7	-177.8	69	3.5	0	0	0	112.6	D103 N105 F109	D103-N107 PolarHBondContact OD1-N 3.28Å; D103-N107 PolarHBondContact OD1-OD1 3.33Å; D103-N107 PolarHBondContact OD2-N 3.11Å; N105-N107 PolarHBondContact O-N 2.81Å; N107-F109 WeakPolarHBondContact OD1-CA 3.36Å; N107-F109 WeakPolarHBondContact OD1-CB 3.26Å; N107-F109 PolarHBondContact OD1-N 2.85Å; N107-F109 PolarHBondContact OD1-O 3.18Å; N107-F109 VanDerWaalsContact OD1-O 3.11Å
108	G	75.6	Confident	79.5	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	88.6	3.7	-177.8	0	0	0	0	0	114.5	D103	D103-G108 WeakPolarHBondContact OD2-CA 3.35Å; D103-G108 PolarHBondContact OD2-N 2.71Å
109	F	80.8	Confident	78.6	Confident	12 Å²	12	39.8 Å²	39.8	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.4	176.4	-65	-92.2	0	0	0	109.8	Y69 N73 F74 T75 D103 N107 N171 F173 M211	Y69-F109 HydrophobicContact CD1-CE1 4.38Å; Y69-F109 HydrophobicContact CG-CE1 4.35Å; N73-F109 HydrophobicContact CB-CB 4.21Å; F74-F109 CarbonylContact O-C 3.5Å; F74-F109 WeakPolarHBondContact O-CA 3.12Å; T75-F109 HydrophobicContact CG2-CD1 4.09Å; T75-F109 HydrophobicContact CG2-CE1 3.8Å; D103-F109 VanDerWaalsContact CG-O 3.3Å; N107-F109 WeakPolarHBondContact OD1-CA 3.36Å; N107-F109 WeakPolarHBondContact OD1-CB 3.26Å; N107-F109 PolarHBondContact OD1-N 2.85Å; N107-F109 PolarHBondContact OD1-O 3.18Å; N107-F109 VanDerWaalsContact OD1-O 3.11Å; F109-N171 HydrophobicContact CZ-CB 4.18Å; F109-F173 HydrophobicContact CE1-CE2 4.13Å; F109-F173 HydrophobicContact CE2-CE2 4.47Å; F109-F173 HydrophobicContact CZ-CE2 4.04Å; F109-M211 HydrophobicContact CD2-CE 4.3Å; F109-M211 HydrophobicContact CE2-CE 3.31Å; F109-M211 HydrophobicContact CE2-SD 4.27Å; F109-M211 HydrophobicContact CZ-CE 3.54Å; F109-M211 HydrophobicContact CZ-SD 4.12Å
110	I	84.7	Confident	77.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.3	174.7	-60.8	165.4	0	0	0	107	N73 F74 Y76 F79 T99 L102 D103 D114	N73-I110 VanDerWaalsContact CA-O 3.25Å; N73-I110 WeakPolarHBondContact CA-O 3.08Å; F74-I110 WeakPolarHBondContact CD1-O 3.17Å; F74-I110 HydrophobicContact CD2-CB 4.05Å; F74-I110 HydrophobicContact CE1-CB 4.34Å; F74-I110 HydrophobicContact CE1-CG2 4.11Å; F74-I110 WeakPolarHBondContact CE1-O 3.26Å; F74-I110 HydrophobicContact CE2-CB 3.48Å; F74-I110 VanDerWaalsContact CE2-CB 3.48Å; F74-I110 HydrophobicContact CE2-CD1 3.89Å; F74-I110 HydrophobicContact CE2-CG1 4.26Å; F74-I110 HydrophobicContact CE2-CG2 3.64Å; F74-I110 HydrophobicContact CZ-CB 3.65Å; F74-I110 HydrophobicContact CZ-CG2 3.33Å; F74-I110 PolarHBondContact N-O 2.98Å; F74-I110 PolarHBondContact O-N 3Å; Y76-I110 HydrophobicContact CD1-CD1 3.83Å; Y76-I110 HydrophobicContact CD1-CG1 4.03Å; Y76-I110 HydrophobicContact CE1-CD1 4.02Å; Y76-I110 HydrophobicContact CE1-CG1 3.88Å; F79-I110 HydrophobicContact CB-CD1 4.38Å; F79-I110 HydrophobicContact CG-CD1 4.42Å; T99-I110 HydrophobicContact CG2-CD1 4.11Å; L102-I110 HydrophobicContact CB-CB 4.5Å; L102-I110 HydrophobicContact CB-CD1 4.02Å; L102-I110 HydrophobicContact CB-CG1 4.05Å; L102-I110 HydrophobicContact CB-CG2 3.64Å; L102-I110 HydrophobicContact CD1-CD1 4.35Å; L102-I110 HydrophobicContact CD1-CG2 4.36Å; D103-I110 HydrophobicContact CB-CG1 4.17Å; I110-D114 HydrophobicContact CG2-CB 4.29Å
111	E	83.6	Confident	76.7	Confident	78 Å²	78	47.9 Å²	47.9	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.9	176.4	-62.3	178.6	-167.7	0	0	110.4	F72 Q113 D114	F72-E111 WeakPolarHBondContact O-CA 3.27Å; E111-Q113 PolarHBondContact O-N 3.16Å; E111-Q113 VanDerWaalsContact O-N 3.12Å; E111-D114 WeakPolarHBondContact O-CB 3.43Å; E111-D114 PolarHBondContact O-N 3.33Å
112	Y	82.6	Confident	75.7	Confident	21 Å²	21	47.8 Å²	47.8	8%	0.082	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.4	177.6	-81.1	-72	0	0	0	113.4	K60 L63 H64 D71 F72 F74 D114 L115	K60-Y112 HydrophobicContact CB-CE1 4.42Å; K60-Y112 HydrophobicContact CG-CD1 3.9Å; K60-Y112 HydrophobicContact CG-CE1 4.17Å; L63-Y112 HydrophobicContact CB-CE1 3.84Å; L63-Y112 VanDerWaalsContact CB-OH 3.25Å; L63-Y112 WeakPolarHBondContact CB-OH 3.48Å; L63-Y112 HydrophobicContact CD1-CE1 3.95Å; H64-Y112 PolarHBondContact N-OH 3.07Å; D71-Y112 VanDerWaalsContact O-CD2 3.3Å; D71-Y112 WeakPolarHBondContact O-CD2 3.45Å; D71-Y112 WeakPolarHBondContact O-CE2 3.44Å; F72-Y112 VanDerWaalsContact C-CD2 3.46Å; F72-Y112 WeakPolarHBondContact O-CD2 3.38Å; F72-Y112 PolarHBondContact O-N 2.92Å; F74-Y112 HydrophobicContact CD1-CD1 4.05Å; F74-Y112 HydrophobicContact CD1-CD2 4.35Å; F74-Y112 AromaticContact CD1-CE1 3.9Å; F74-Y112 HydrophobicContact CD1-CE1 3.9Å; F74-Y112 HydrophobicContact CD1-CE2 4.19Å; F74-Y112 HydrophobicContact CD1-CG 4.29Å; F74-Y112 AromaticContact CD1-CZ 3.98Å; F74-Y112 AromaticContact CE1-CD1 3.82Å; F74-Y112 HydrophobicContact CE1-CD1 3.82Å; F74-Y112 HydrophobicContact CE1-CE1 4.05Å; F74-Y112 HydrophobicContact CE1-CG 4.15Å; Y112-D114 PolarHBondContact O-N 2.62Å; Y112-L115 HydrophobicContact CD1-CD1 4.08Å; Y112-L115 WeakPolarHBondContact O-CB 3.32Å; Y112-L115 PolarHBondContact O-N 2.79Å
113	Q	82.1	Confident	74.5	Confident	140 Å²	140	49 Å²	49	65%	0.654	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.9	177.2	-59.9	-174.9	13.5	0	0	111.6	E111 L115 T116	E111-Q113 PolarHBondContact O-N 3.16Å; E111-Q113 VanDerWaalsContact O-N 3.12Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.51Å; Q113-T116 PolarHBondContact O-N 3.22Å; Q113-T116 VanDerWaalsContact O-N 3.17Å; Q113-T116 PolarHBondContact O-OG1 2.76Å
114	D	83.1	Confident	73.3	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.048	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-70.8	-24.3	-179.5	-66.4	-35.9	0	0	0	112.8	L102 K104 I110 E111 Y112 T116 C117	L102-D114 HydrophobicContact CD2-CB 4.42Å; L102-D114 VanDerWaalsContact CD2-O 3.27Å; L102-D114 WeakPolarHBondContact CD2-O 3.32Å; K104-D114 WeakPolarHBondContact CE-OD1 3.35Å; K104-D114 IonicContact NZ-OD1 2.67Å; K104-D114 PolarHBondContact NZ-OD1 3.38Å; I110-D114 HydrophobicContact CG2-CB 4.29Å; E111-D114 WeakPolarHBondContact O-CB 3.43Å; E111-D114 PolarHBondContact O-N 3.33Å; Y112-D114 PolarHBondContact O-N 2.62Å; D114-T116 PolarHBondContact O-N 3.33Å; D114-C117 WeakPolarHBondContact O-CB 2.93Å; D114-C117 PolarHBondContact O-N 3.42Å
115	L	79.8	Confident	72.3	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-60.4	-26.8	172.2	-68	177.5	0	0	0	113	I59 K60 L63 F74 F79 L102 Y112 Q113	I59-L115 HydrophobicContact CG2-CD1 4.1Å; K60-L115 HydrophobicContact CG-CD1 4.21Å; L63-L115 HydrophobicContact CD1-CD1 4.23Å; F74-L115 HydrophobicContact CE1-CD1 3.91Å; F74-L115 HydrophobicContact CE1-CG 4.17Å; F74-L115 HydrophobicContact CZ-CD1 3.86Å; F74-L115 HydrophobicContact CZ-CD2 3.8Å; F74-L115 HydrophobicContact CZ-CG 3.79Å; F79-L115 HydrophobicContact CD2-CD2 4.13Å; F79-L115 HydrophobicContact CE2-CD2 3.56Å; L102-L115 HydrophobicContact CD1-CD2 4.08Å; Y112-L115 HydrophobicContact CD1-CD1 4.08Å; Y112-L115 WeakPolarHBondContact O-CB 3.32Å; Y112-L115 PolarHBondContact O-N 2.79Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.51Å
116	T	71.3	Confident	71.3	Confident	100 Å²	100	54.4 Å²	54.4	61%	0.613	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-90.4	-12	177.5	68.6	0	0	0	0	112.7	Q113 D114	Q113-T116 PolarHBondContact O-N 3.22Å; Q113-T116 VanDerWaalsContact O-N 3.17Å; Q113-T116 PolarHBondContact O-OG1 2.76Å; D114-T116 PolarHBondContact O-N 3.33Å
117	C	71.8	Confident	70.1	Confident	40 Å²	40	54.1 Å²	54.1	27%	0.27	30%	0.298	S	S	.	.	S	Bend	trans	-74.1	136.5	175.1	-69	0	0	0	0	109.8	D114 L119 L122	D114-C117 WeakPolarHBondContact O-CB 2.93Å; D114-C117 PolarHBondContact O-N 3.42Å; C117-L119 PolarHBondContact O-N 2.83Å; C117-L122 HydrophobicContact CB-CD1 4.02Å; C117-L122 HydrophobicContact CB-CD2 4.03Å; C117-L122 HydrophobicContact CB-CG 4.18Å
118	S	67.1	Low	68.9	Low	41 Å²	41	54.6 Å²	54.6	29%	0.287	30%	0.304	S	S	.	.			trans	-68.4	123.1	172.9	172.7	0	0	0	0	109.4	N49 T120 K121 L122	N49-S118 PolarHBondContact ND2-OG 3.08Å; N49-S118 WeakPolarHBondContact OD1-CA 3.34Å; S118-T120 PolarHBondContact O-N 2.9Å; S118-T120 PolarHBondContact OG-N 3.49Å; S118-K121 WeakPolarHBondContact O-CA 3.32Å; S118-K121 WeakPolarHBondContact O-CB 3.34Å; S118-K121 PolarHBondContact O-N 3.33Å; S118-L122 PolarHBondContact O-N 3.46Å; S118-L122 VanDerWaalsContact O-N 3.08Å
119	L	69.1	Low	67.6	Low	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-51.2	-26	170.7	-60.4	175.4	0	0	0	112.4	L45 N49 I52 I98 L101 L102 C117 L122 S123	L45-L119 HydrophobicContact CD2-CB 3.97Å; N49-L119 WeakPolarHBondContact OD1-CA 3.41Å; N49-L119 VanDerWaalsContact OD1-CB 3.23Å; N49-L119 WeakPolarHBondContact OD1-CB 3.14Å; N49-L119 WeakPolarHBondContact OD1-CG 3.33Å; N49-L119 PolarHBondContact OD1-N 3.36Å; I52-L119 HydrophobicContact CD1-CD1 3.85Å; I52-L119 HydrophobicContact CD1-CD2 4.5Å; I52-L119 HydrophobicContact CD1-CG 4.36Å; I98-L119 HydrophobicContact CG1-CD1 4.24Å; I98-L119 HydrophobicContact CG2-CD1 4.45Å; I98-L119 HydrophobicContact CG2-CD2 4.41Å; L101-L119 HydrophobicContact CB-CD2 3.91Å; L101-L119 HydrophobicContact CD1-CB 4.43Å; L101-L119 HydrophobicContact CD1-CD2 4.46Å; L102-L119 HydrophobicContact CD2-CD2 3.71Å; L102-L119 HydrophobicContact CG-CD2 3.88Å; C117-L119 PolarHBondContact O-N 2.83Å; L119-L122 HydrophobicContact CD2-CD1 4.27Å; L119-L122 PolarHBondContact O-N 3.34Å; L119-S123 VanDerWaalsContact O-CB 3.24Å; L119-S123 WeakPolarHBondContact O-CB 3.42Å; L119-S123 PolarHBondContact O-N 3.48Å
120	T	60.4	Low	66	Low	60 Å²	60	64.8 Å²	64.8	37%	0.368	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-38.5	175.5	-51.9	0	0	0	0	111.2	N49 S118 L124	N49-T120 PolarHBondContact ND2-N 3.33Å; N49-T120 PolarHBondContact ND2-OG1 3.26Å; S118-T120 PolarHBondContact O-N 2.9Å; S118-T120 PolarHBondContact OG-N 3.49Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.23Å; T120-L124 PolarHBondContact O-N 2.87Å
121	K	66.8	Low	64	Low	139 Å²	139	68 Å²	68	60%	0.604	38%	0.383	S	S	*	.	H	α-helix	trans	-66.7	-44.7	172.3	-66	-177.3	177.3	-175.7	0	110.5	S118 S123 L124 E125	S118-K121 WeakPolarHBondContact O-CA 3.32Å; S118-K121 WeakPolarHBondContact O-CB 3.34Å; S118-K121 PolarHBondContact O-N 3.33Å; K121-S123 VanDerWaalsContact C-N 3.33Å; K121-S123 PolarHBondContact O-N 3.24Å; K121-L124 PolarHBondContact O-N 2.92Å; K121-L124 VanDerWaalsContact O-N 3.13Å; K121-E125 WeakPolarHBondContact O-CG 3.41Å; K121-E125 PolarHBondContact O-N 3.43Å
122	L	61.5	Low	61.9	Low	6 Å²	6	66.3 Å²	66.3	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-40.1	178.6	-56.6	179.2	0	0	0	112	L101 L102 K104 C117 S118 L119 L124 E125 D126	L101-L122 WeakPolarHBondContact O-CB 3.28Å; L101-L122 VanDerWaalsContact O-CD1 3.23Å; L101-L122 WeakPolarHBondContact O-CD1 3.16Å; L102-L122 HydrophobicContact CD2-CD1 3.96Å; K104-L122 HydrophobicContact CD-CD2 4.19Å; K104-L122 HydrophobicContact CG-CD2 4.08Å; C117-L122 HydrophobicContact CB-CD1 4.02Å; C117-L122 HydrophobicContact CB-CD2 4.03Å; C117-L122 HydrophobicContact CB-CG 4.18Å; S118-L122 PolarHBondContact O-N 3.46Å; S118-L122 VanDerWaalsContact O-N 3.08Å; L119-L122 HydrophobicContact CD2-CD1 4.27Å; L119-L122 PolarHBondContact O-N 3.34Å; L122-L124 VanDerWaalsContact C-N 3.3Å; L122-L124 PolarHBondContact O-N 2.95Å; L122-E125 PolarHBondContact O-N 3.29Å; L122-D126 VanDerWaalsContact O-CB 3.32Å; L122-D126 WeakPolarHBondContact O-CB 3.46Å; L122-D126 PolarHBondContact O-N 3.12Å
123	S	60.2	Low	59.9	Low	27 Å²	27	67.8 Å²	67.8	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-68.1	-26.6	176.7	-174.2	0	0	0	0	113.6	Y41 L119 K121	Y41-S123 WeakPolarHBondContact CE1-OG 3.36Å; Y41-S123 PolarHBondContact OH-OG 3.3Å; L119-S123 VanDerWaalsContact O-CB 3.24Å; L119-S123 WeakPolarHBondContact O-CB 3.42Å; L119-S123 PolarHBondContact O-N 3.48Å; K121-S123 VanDerWaalsContact C-N 3.33Å; K121-S123 PolarHBondContact O-N 3.24Å
124	L	57.7	Low	58.1	Low	137 Å²	137	63.4 Å²	63.4	72%	0.717	37%	0.366	S	S	*	.	H	α-helix	trans	-81.2	-37.7	176.4	-73.6	168	0	0	0	111.6	T120 K121 L122 D126	T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.23Å; T120-L124 PolarHBondContact O-N 2.87Å; K121-L124 PolarHBondContact O-N 2.92Å; K121-L124 VanDerWaalsContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.3Å; L122-L124 PolarHBondContact O-N 2.95Å; L124-D126 VanDerWaalsContact C-N 3.34Å
125	E	56.6	Low	56.1	Low	143 Å²	143	70.6 Å²	70.6	67%	0.668	40%	0.399	S	S	*	.	H	α-helix	trans	-66.6	-37.8	173.1	-72.1	173.4	-171.3	0	0	111.1	K121 L122 G127	K121-E125 WeakPolarHBondContact O-CG 3.41Å; K121-E125 PolarHBondContact O-N 3.43Å; L122-E125 PolarHBondContact O-N 3.29Å; E125-G127 PolarHBondContact O-N 3.32Å
126	D	55.5	Low	54.1	Low	35 Å²	35	79.9 Å²	79.9	19%	0.187	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	43.1	178.4	-151.6	17.5	0	0	0	112.9	K106 L122 L124 T128 L129	K106-D126 IonicContact NZ-OD1 3.26Å; K106-D126 PolarHBondContact NZ-OD1 3.24Å; K106-D126 IonicContact NZ-OD2 2.65Å; K106-D126 PolarHBondContact NZ-OD2 3.14Å; L122-D126 VanDerWaalsContact O-CB 3.32Å; L122-D126 WeakPolarHBondContact O-CB 3.46Å; L122-D126 PolarHBondContact O-N 3.12Å; L124-D126 VanDerWaalsContact C-N 3.34Å; D126-T128 CarbonylContact O-C 3.27Å; D126-T128 PolarHBondContact O-N 3.28Å; D126-L129 PolarHBondContact O-N 3.21Å
127	G	48.9	Very low	52.7	Low	63 Å²	63	77.3 Å²	77.3	65%	0.649	42%	0.416	S	S	*	.			trans	-55.2	8.5	178.3	0	0	0	0	0	116	E125	E125-G127 PolarHBondContact O-N 3.32Å
128	T	47.4	Very low	51.3	Low	87 Å²	87	76.9 Å²	76.9	53%	0.534	42%	0.415	S	S	.	.			trans	-142.9	75.7	172	44.3	0	0	0	0	111.9	D126 K130	D126-T128 CarbonylContact O-C 3.27Å; D126-T128 PolarHBondContact O-N 3.28Å; T128-K130 PolarHBondContact O-N 3.48Å
129	L	49.5	Very low	50.3	Low	47 Å²	47	82.7 Å²	82.7	25%	0.246	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	5.2	151.4	-80.7	168.5	0	0	0	113.2	I31 C35 D126	I31-L129 HydrophobicContact CG2-CD1 4.08Å; I31-L129 HydrophobicContact CG2-CD2 4.35Å; C35-L129 HydrophobicContact CB-CD1 4.42Å; C35-L129 VanDerWaalsContact SG-CD1 3.54Å; D126-L129 PolarHBondContact O-N 3.21Å
130	K	45.6	Very low	49.5	Very low	182 Å²	182	84.6 Å²	84.6	79%	0.791	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	7.4	-168.6	-67.7	-178.4	176.9	171.8	0	115.3	T128	T128-K130 PolarHBondContact O-N 3.48Å
131	G	42.7	Very low	49.3	Very low	68 Å²	68	86.2 Å²	86.2	70%	0.701	46%	0.455	S	S	*	.			trans	-137.1	16.3	-167.2	0	0	0	0	0	118.4
132	L	40.3	Very low	49.3	Very low	42 Å²	42	84.3 Å²	84.3	22%	0.22	44%	0.444	C	S	.	.			trans	-94.3	129.1	-167.5	-82.3	164.8	0	0	0	114.3	K106	K106-L132 HydrophobicContact CB-CD2 4.13Å; K106-L132 HydrophobicContact CD-CD1 4.48Å; K106-L132 HydrophobicContact CD-CD2 3.52Å; K106-L132 HydrophobicContact CD-CG 4.26Å; K106-L132 HydrophobicContact CG-CD2 3.83Å
133	N	40.4	Very low	50	Low	53 Å²	53	84.4 Å²	84.4	28%	0.283	45%	0.446	S	S	.	.			trans	-90.5	102.6	171.3	-151.7	37.8	0	0	0	107.4	K22 E135 R136	K22-N133 PolarHBondContact NZ-OD1 2.96Å; N133-E135 PolarHBondContact O-N 3.38Å; N133-R136 PolarHBondContact O-N 3.49Å
134	I	43.9	Very low	51.1	Low	48 Å²	48	83.3 Å²	83.3	25%	0.246	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-54.5	-25.4	178.5	-73.5	-158	0	0	0	113.1	T25 L27 E28 R136 I137	T25-I134 HydrophobicContact CG2-CB 3.95Å; T25-I134 HydrophobicContact CG2-CD1 3.77Å; T25-I134 HydrophobicContact CG2-CG1 3.94Å; T25-I134 HydrophobicContact CG2-CG2 4.48Å; T25-I134 WeakPolarHBondContact OG1-CD1 3.19Å; L27-I134 HydrophobicContact CB-CD1 4.15Å; E28-I134 HydrophobicContact CG-CD1 4.24Å; E28-I134 HydrophobicContact CG-CG1 4.4Å; E28-I134 VanDerWaalsContact OE1-CG1 3.31Å; E28-I134 WeakPolarHBondContact OE1-CG1 3.48Å; I134-R136 PolarHBondContact O-N 2.89Å; I134-R136 VanDerWaalsContact O-N 3.15Å; I134-I137 HydrophobicContact CB-CD1 4.13Å; I134-I137 HydrophobicContact CD1-CD1 4.27Å; I134-I137 HydrophobicContact CG1-CD1 3.75Å; I134-I137 HydrophobicContact CG2-CD1 4.22Å; I134-I137 WeakPolarHBondContact O-CB 3.15Å; I134-I137 PolarHBondContact O-N 3.25Å; I134-I137 VanDerWaalsContact O-N 3.15Å
135	E	40.8	Very low	52.7	Low	160 Å²	160	76.8 Å²	76.8	75%	0.748	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-63.7	-16.9	175.5	-64.9	175.9	166.1	0	0	114.1	N133	N133-E135 PolarHBondContact O-N 3.38Å
136	R	39.4	Very low	54.4	Low	199 Å²	199	72.3 Å²	72.3	75%	0.751	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-102.8	-8.1	175.1	-81.6	-169.9	-178.3	177.9	-2.3	114.4	N133 I134 A138	N133-R136 PolarHBondContact O-N 3.49Å; I134-R136 PolarHBondContact O-N 2.89Å; I134-R136 VanDerWaalsContact O-N 3.15Å; R136-A138 VanDerWaalsContact C-N 3.26Å; R136-A138 PolarHBondContact O-N 2.85Å
137	I	41.1	Very low	56.2	Low	46 Å²	46	70.6 Å²	70.6	24%	0.236	38%	0.375	C	S	.	.	S	Bend	trans	-60.1	106	161.7	-60.9	173.3	0	0	0	102.7	Y76 I134 K139	Y76-I137 HydrophobicContact CD2-CG2 4.18Å; Y76-I137 HydrophobicContact CE2-CG2 3.87Å; I134-I137 HydrophobicContact CB-CD1 4.13Å; I134-I137 HydrophobicContact CD1-CD1 4.27Å; I134-I137 HydrophobicContact CG1-CD1 3.75Å; I134-I137 HydrophobicContact CG2-CD1 4.22Å; I134-I137 WeakPolarHBondContact O-CB 3.15Å; I134-I137 PolarHBondContact O-N 3.25Å; I134-I137 VanDerWaalsContact O-N 3.15Å; I137-K139 PolarHBondContact O-N 2.87Å
138	A	43.3	Very low	58.3	Low	30 Å²	30	71.5 Å²	71.5	25%	0.248	36%	0.361	C	S	.	.			trans	-37.8	119.8	-167.6	0	0	0	0	0	107.9	R136 S140	R136-A138 VanDerWaalsContact C-N 3.26Å; R136-A138 PolarHBondContact O-N 2.85Å; A138-S140 PolarHBondContact O-N 3.34Å
139	K	45.7	Very low	60.6	Low	164 Å²	164	67.3 Å²	67.3	71%	0.713	34%	0.336	S	S	*	.			trans	-54	91.3	151.1	-69.8	-177.6	177.6	-177.6	0	102.8	I137 D141 R142	I137-K139 PolarHBondContact O-N 2.87Å; K139-D141 CarbonylContact O-C 3.56Å; K139-D141 VanDerWaalsContact O-C 3.3Å; K139-D141 PolarHBondContact O-N 3.33Å; K139-D141 VanDerWaalsContact O-N 3.11Å; K139-R142 WeakPolarHBondContact O-CG 3.25Å; K139-R142 PolarHBondContact O-N 2.72Å; K139-R142 VanDerWaalsContact O-N 3.14Å
140	S	52	Low	62.6	Low	40 Å²	40	65.7 Å²	65.7	28%	0.28	33%	0.327	S	S	.	.	S	Bend	trans	-55	-26.3	176.1	58.9	0	0	0	0	108.4	D77 A138 R142	D77-S140 WeakPolarHBondContact OD2-CB 3.35Å; D77-S140 PolarHBondContact OD2-OG 3.42Å; A138-S140 PolarHBondContact O-N 3.34Å; S140-R142 PolarHBondContact O-N 2.95Å
141	D	56.8	Low	64.7	Low	95 Å²	95	57 Å²	57	51%	0.508	29%	0.289	S	S	.	.			trans	-83.9	75.2	161.7	-147.9	-1.8	0	0	0	111.9	K139 G143	K139-D141 CarbonylContact O-C 3.56Å; K139-D141 VanDerWaalsContact O-C 3.3Å; K139-D141 PolarHBondContact O-N 3.33Å; K139-D141 VanDerWaalsContact O-N 3.11Å; D141-G143 PolarHBondContact O-N 3.06Å; D141-G143 WeakPolarHBondContact OD1-CA 3.38Å; D141-G143 PolarHBondContact OD1-N 3.18Å
142	R	65.9	Low	66.8	Low	99 Å²	99	55.3 Å²	55.3	37%	0.374	26%	0.264	S	S	.	.	S	Bend	trans	-72.3	7.5	156.6	-68.4	-167	-177.7	-176.6	1.8	111.1	K139 S140 L170 S213 S219	K139-R142 WeakPolarHBondContact O-CG 3.25Å; K139-R142 PolarHBondContact O-N 2.72Å; K139-R142 VanDerWaalsContact O-N 3.14Å; S140-R142 PolarHBondContact O-N 2.95Å; R142-L170 HydrophobicContact CB-CB 3.81Å; R142-L170 WeakPolarHBondContact O-CD1 3.3Å; R142-S213 VanDerWaalsContact CD-OG 3.24Å; R142-S213 WeakPolarHBondContact CD-OG 3.33Å; R142-S213 PolarHBondContact NH1-OG 3.25Å; R142-S219 WeakPolarHBondContact O-CB 3.42Å; R142-S219 PolarHBondContact O-OG 2.88Å
143	G	76.1	Confident	68.6	Low	7 Å²	7	55.2 Å²	55.2	7%	0.072	26%	0.264	C	S	.	.			trans	83.1	170.3	-165.7	0	0	0	0	0	111.4	D141 L170 G220	D141-G143 PolarHBondContact O-N 3.06Å; D141-G143 WeakPolarHBondContact OD1-CA 3.38Å; D141-G143 PolarHBondContact OD1-N 3.18Å; G143-L170 PolarHBondContact O-N 2.97Å; G143-G220 CarbonylContact C-O 3.3Å; G143-G220 WeakPolarHBondContact CA-O 3.19Å
144	S	84.2	Confident	70.4	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.028	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	161.8	175.7	-55.6	0	0	0	0	109.8	V168 G220 A225	S144-V168 WeakPolarHBondContact CA-O 3.34Å; S144-G220 PolarHBondContact N-O 2.87Å; S144-G220 PolarHBondContact O-N 3.19Å; S144-A225 WeakPolarHBondContact O-CB 3.39Å
145	V	90.4	Very high	72.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.8	175.6	64.3	0	0	0	0	108	C147 V168 L170 L212 I217 P226 L228	V145-C147 PolarHBondContact O-N 3.48Å; V145-V168 PolarHBondContact N-O 2.84Å; V145-V168 PolarHBondContact O-N 2.69Å; V145-L170 HydrophobicContact CG1-CD2 4.32Å; V145-L212 HydrophobicContact CG1-CD1 4.03Å; V145-I217 HydrophobicContact CG2-CG2 4.38Å; V145-P226 HydrophobicContact CG2-CG 4.5Å; V145-P226 WeakPolarHBondContact CG2-O 3.28Å; V145-L228 HydrophobicContact CG2-CB 3.41Å; V145-L228 VanDerWaalsContact CG2-CB 3.41Å; V145-L228 HydrophobicContact CG2-CD2 4.27Å; V145-L228 HydrophobicContact CG2-CG 4.49Å
146	I	91.8	Very high	74.2	Confident	48 Å²	48	53.3 Å²	53.3	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	100.4	170.9	-60.3	172.3	0	0	0	106.7	E165 L167 A225 P226 K227 L228	I146-E165 HydrophobicContact CG2-CB 4.37Å; I146-L167 HydrophobicContact CG1-CD1 3.88Å; I146-A225 HydrophobicContact CD1-CB 4.49Å; I146-A225 HydrophobicContact CG1-CB 4.03Å; I146-P226 PolarHBondContact N-O 2.97Å; I146-K227 HydrophobicContact CB-CG 4.3Å; I146-K227 WeakPolarHBondContact O-CA 3.41Å; I146-L228 PolarHBondContact O-N 3.34Å
147	C	93.4	Very high	76	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.5	176.8	-70	0	0	0	0	109.5	V145 F149 E165 Q166 V168 L228 L230	V145-C147 PolarHBondContact O-N 3.48Å; C147-F149 HydrophobicContact CB-CD2 4.01Å; C147-F149 HydrophobicContact CB-CE2 3.37Å; C147-F149 HydrophobicContact CB-CZ 3.8Å; C147-E165 CarbonylContact O-C 3.53Å; C147-E165 WeakPolarHBondContact O-CA 3.47Å; C147-Q166 PolarHBondContact N-O 2.88Å; C147-Q166 PolarHBondContact O-N 3.41Å; C147-V168 HydrophobicContact CB-CG2 4.03Å; C147-L228 CarbonylContact C-O 3.5Å; C147-L228 WeakPolarHBondContact CA-O 3.36Å; C147-L230 HydrophobicContact CB-CD1 3.96Å; C147-L230 HydrophobicContact CB-CG 4.49Å
148	K	94.3	Very high	77.7	Confident	81 Å²	81	53.3 Å²	53.3	35%	0.352	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.5	166.2	-177.4	173.7	172.5	-167.9	0	108.4	N150 E165 L228 D229 L230	K148-N150 WeakPolarHBondContact CE-OD1 3.47Å; K148-N150 PolarHBondContact O-ND2 3.22Å; K148-N150 VanDerWaalsContact O-ND2 3.16Å; K148-E165 HydrophobicContact CB-CG 3.97Å; K148-E165 HydrophobicContact CD-CG 4.39Å; K148-E165 HydrophobicContact CG-CG 3.92Å; K148-L228 PolarHBondContact N-O 3.31Å; K148-D229 WeakPolarHBondContact CD-OD1 3.2Å; K148-L230 PolarHBondContact O-N 3.42Å; K148-L230 VanDerWaalsContact O-O 3.09Å
149	F	94.2	Very high	79.4	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122	179.2	-66.9	-93	0	0	0	109.4	C147 H163 F164 Q166 V168 L177 I180 I181 L230 Y232	C147-F149 HydrophobicContact CB-CD2 4.01Å; C147-F149 HydrophobicContact CB-CE2 3.37Å; C147-F149 HydrophobicContact CB-CZ 3.8Å; F149-H163 VanDerWaalsContact O-CA 3.23Å; F149-H163 WeakPolarHBondContact O-CA 3.41Å; F149-F164 HydrophobicContact CB-CD1 4.07Å; F149-F164 HydrophobicContact CB-CD2 4.32Å; F149-F164 HydrophobicContact CB-CE1 3.68Å; F149-F164 HydrophobicContact CB-CE2 3.97Å; F149-F164 HydrophobicContact CB-CG 4.36Å; F149-F164 HydrophobicContact CB-CZ 3.62Å; F149-F164 HydrophobicContact CD1-CZ 4.11Å; F149-F164 AromaticContact CD2-CD2 3.84Å; F149-F164 HydrophobicContact CD2-CD2 3.84Å; F149-F164 AromaticContact CD2-CE2 3.25Å; F149-F164 HydrophobicContact CD2-CE2 3.25Å; F149-F164 AromaticContact CD2-CZ 3.64Å; F149-F164 HydrophobicContact CD2-CZ 3.64Å; F149-F164 AromaticContact CE2-CE2 3.8Å; F149-F164 HydrophobicContact CE2-CE2 3.8Å; F149-F164 HydrophobicContact CE2-CZ 4.3Å; F149-F164 HydrophobicContact CG-CD2 4.36Å; F149-F164 HydrophobicContact CG-CE1 4.12Å; F149-F164 AromaticContact CG-CE2 3.67Å; F149-F164 HydrophobicContact CG-CE2 3.67Å; F149-F164 AromaticContact CG-CZ 3.51Å; F149-F164 HydrophobicContact CG-CZ 3.51Å; F149-F164 PolarHBondContact N-O 3.14Å; F149-F164 PolarHBondContact O-N 2.99Å; F149-F164 VanDerWaalsContact O-N 3.08Å; F149-Q166 HydrophobicContact CE2-CB 4.12Å; F149-V168 HydrophobicContact CE2-CG2 4.45Å; F149-L177 HydrophobicContact CE1-CB 4.31Å; F149-L177 HydrophobicContact CZ-CD2 4.22Å; F149-I180 HydrophobicContact CE2-CG2 4.26Å; F149-I180 HydrophobicContact CZ-CG2 4.28Å; F149-I181 HydrophobicContact CD1-CD1 3.81Å; F149-I181 HydrophobicContact CD1-CG1 3.63Å; F149-I181 HydrophobicContact CE1-CD1 4.01Å; F149-I181 HydrophobicContact CE1-CG1 3.88Å; F149-I181 HydrophobicContact CG-CG1 4.4Å; F149-L230 CarbonylContact C-O 3.46Å; F149-L230 WeakPolarHBondContact CA-O 3.34Å; F149-L230 HydrophobicContact CD1-CB 4.25Å; F149-L230 HydrophobicContact CD1-CD1 4.32Å; F149-L230 HydrophobicContact CE1-CB 4.48Å; F149-L230 HydrophobicContact CE1-CD1 3.74Å; F149-L230 HydrophobicContact CZ-CD1 3.99Å; F149-Y232 HydrophobicContact CB-CD1 4.17Å; F149-Y232 HydrophobicContact CB-CE1 4.02Å
150	N	92.6	Very high	81	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.4	179.8	-56.9	-81.6	0	0	0	109.7	K148 L152 M155 H163 D229 L230 F231 Y232	K148-N150 WeakPolarHBondContact CE-OD1 3.47Å; K148-N150 PolarHBondContact O-ND2 3.22Å; K148-N150 VanDerWaalsContact O-ND2 3.16Å; N150-L152 PolarHBondContact O-N 2.8Å; N150-M155 HydrophobicContact CB-CE 4.43Å; N150-M155 HydrophobicContact CB-SD 3.75Å; N150-H163 WeakPolarHBondContact CA-ND1 3.49Å; N150-D229 PolarHBondContact ND2-OD1 3.09Å; N150-L230 PolarHBondContact N-O 3.24Å; N150-L230 PolarHBondContact ND2-O 3.48Å; N150-F231 HydrophobicContact CB-CD1 3.81Å; N150-F231 HydrophobicContact CB-CE1 4.05Å; N150-F231 CarbonylContact O-C 3.57Å; N150-F231 WeakPolarHBondContact O-CA 3.44Å; N150-Y232 WeakPolarHBondContact O-CD1 3.4Å; N150-Y232 PolarHBondContact O-N 3.16Å
151	C	89	Confident	82.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	116	176.7	-176.5	0	0	0	0	110.6	N153 C154 M155 L162 H163 Y232	C151-N153 PolarHBondContact O-N 2.86Å; C151-C154 CarbonylContact O-C 3.55Å; C151-C154 PolarHBondContact O-N 3.07Å; C151-M155 PolarHBondContact O-N 2.63Å; C151-L162 HydrophobicContact CB-CB 3.72Å; C151-L162 HydrophobicContact CB-CD1 4.48Å; C151-H163 PolarHBondContact N-CE1 3.48Å; C151-H163 VanDerWaalsContact N-CE1 3.32Å; C151-H163 PolarHBondContact N-ND1 3.35Å; C151-H163 PolarHBondContact O-CE1 3.26Å; C151-Y232 HydrophobicContact CB-CE1 3.88Å; C151-Y232 HydrophobicContact CB-CE2 4.01Å; C151-Y232 WeakPolarHBondContact CB-OH 3.43Å
152	L	87.5	Confident	83.5	Confident	33 Å²	33	48.5 Å²	48.5	17%	0.173	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.8	-33.2	-177.9	-73.6	173	0	0	0	112.8	N150 C154 M155 F195 V198 A200 F231 Y232 K233	N150-L152 PolarHBondContact O-N 2.8Å; L152-C154 PolarHBondContact O-N 3.32Å; L152-M155 HydrophobicContact CD2-CG 4.21Å; L152-M155 HydrophobicContact CD2-SD 4.44Å; L152-F195 HydrophobicContact CD1-CD2 4.02Å; L152-F195 HydrophobicContact CD1-CE2 4.3Å; L152-V198 HydrophobicContact CD2-CG2 4.13Å; L152-V198 WeakPolarHBondContact CD2-O 3.18Å; L152-A200 HydrophobicContact CD1-CB 3.74Å; L152-F231 HydrophobicContact CD1-CB 4.23Å; L152-F231 HydrophobicContact CD2-CB 3.91Å; L152-F231 HydrophobicContact CD2-CD1 4.02Å; L152-F231 HydrophobicContact CD2-CG 4.31Å; L152-F231 HydrophobicContact CG-CB 4Å; L152-Y232 PolarHBondContact N-O 3.46Å; L152-K233 HydrophobicContact CB-CB 4.32Å; L152-K233 HydrophobicContact CD1-CB 4.05Å
153	N	78.1	Confident	84.5	Confident	39 Å²	39	45.2 Å²	45.2	21%	0.209	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-69	-17.1	179.5	-65.7	44.2	0	0	0	113.7	C151 V252	C151-N153 PolarHBondContact O-N 2.86Å; N153-V252 HydrophobicContact CB-CB 3.96Å; N153-V252 HydrophobicContact CB-CG1 3.8Å; N153-V252 HydrophobicContact CB-CG2 3.84Å
154	C	78.7	Confident	85.2	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.027	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-135	33.3	-179.4	70.6	0	0	0	0	113.2	C151 L152 N156 I157 S160 H163 Q256	C151-C154 CarbonylContact O-C 3.55Å; C151-C154 PolarHBondContact O-N 3.07Å; L152-C154 PolarHBondContact O-N 3.32Å; C154-N156 PolarHBondContact O-N 3.11Å; C154-N156 VanDerWaalsContact O-N 3.14Å; C154-I157 HydrophobicContact CB-CD1 4.4Å; C154-I157 PolarHBondContact O-N 3.44Å; C154-S160 PolarHBondContact SG-OG 3.24Å; C154-H163 PolarHBondContact O-NE2 3.26Å; C154-Q256 VanDerWaalsContact CB-NE2 3.31Å
155	M	83	Confident	85.6	Confident	59 Å²	59	50.3 Å²	50.3	29%	0.291	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.1	178.7	-74.2	-61.9	-60.8	0	0	113.6	N150 C151 L152 I157 V198 F231	N150-M155 HydrophobicContact CB-CE 4.43Å; N150-M155 HydrophobicContact CB-SD 3.75Å; C151-M155 PolarHBondContact O-N 2.63Å; L152-M155 HydrophobicContact CD2-CG 4.21Å; L152-M155 HydrophobicContact CD2-SD 4.44Å; M155-I157 PolarHBondContact O-N 3Å; M155-V198 HydrophobicContact CE-CG2 4.04Å; M155-F231 HydrophobicContact CE-CD1 4.25Å; M155-F231 HydrophobicContact CE-CE1 3.88Å; M155-F231 HydrophobicContact SD-CD1 4.17Å; M155-F231 HydrophobicContact SD-CE1 4.37Å
156	N	80.3	Confident	85.6	Confident	159 Å²	159	52.7 Å²	52.7	85%	0.85	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.7	179.8	-61.7	-21.7	0	0	0	113.5	C154	C154-N156 PolarHBondContact O-N 3.11Å; C154-N156 VanDerWaalsContact O-N 3.14Å
157	I	78.6	Confident	85.4	Confident	73 Å²	73	53.6 Å²	53.6	37%	0.374	26%	0.264	S	S	.	.			trans	-110.5	96.7	-179.4	-53.7	176.3	0	0	0	108.3	C154 M155 E159 S160 H163	C154-I157 HydrophobicContact CB-CD1 4.4Å; C154-I157 PolarHBondContact O-N 3.44Å; M155-I157 PolarHBondContact O-N 3Å; I157-E159 VanDerWaalsContact C-N 3.31Å; I157-E159 PolarHBondContact O-N 3.16Å; I157-S160 PolarHBondContact O-N 3.13Å; I157-H163 PolarHBondContact O-CD2 3.39Å; I157-H163 PolarHBondContact O-NE2 2.92Å
158	H	76.3	Confident	85.1	Confident	172 Å²	172	53.7 Å²	53.7	80%	0.796	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.6	-173.6	-67	-60.5	0	0	0	114.2
159	E	78.8	Confident	84.7	Confident	190 Å²	190	51.2 Å²	51.2	89%	0.888	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	25.1	-176	-62	-177.6	172.2	0	0	113.1	I157	I157-E159 VanDerWaalsContact C-N 3.31Å; I157-E159 PolarHBondContact O-N 3.16Å
160	S	78.7	Confident	84.3	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.028	26%	0.258	C	S	.	.			trans	-67.3	134.9	176	-179.3	0	0	0	0	110.8	C154 I157 L162 H163	C154-S160 PolarHBondContact SG-OG 3.24Å; I157-S160 PolarHBondContact O-N 3.13Å; S160-L162 PolarHBondContact O-N 3.41Å; S160-L162 VanDerWaalsContact O-N 3.07Å; S160-L162 WeakPolarHBondContact OG-CB 3.46Å; S160-L162 PolarHBondContact OG-N 2.92Å; S160-H163 WeakPolarHBondContact O-CB 3.46Å; S160-H163 PolarHBondContact O-N 2.92Å
161	P	78.9	Confident	83.6	Confident	30 Å²	30	51.2 Å²	51.2	20%	0.195	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.2	170.4	30.2	-37.3	0	0	0	113	H163 W262 L265 V266	P161-H163 VanDerWaalsContact C-N 3.27Å; P161-W262 HydrophobicContact CG-CH2 3.49Å; P161-W262 VanDerWaalsContact CG-CH2 3.49Å; P161-W262 HydrophobicContact CG-CZ2 3.49Å; P161-W262 VanDerWaalsContact CG-CZ2 3.49Å; P161-W262 HydrophobicContact CG-CZ3 4.13Å; P161-L265 HydrophobicContact CG-CD2 4.08Å; P161-V266 HydrophobicContact CG-CG2 4.14Å
162	L	83	Confident	83.2	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.5	170.9	-56.7	-177.2	0	0	0	112.1	C151 S160 T185 L187 Y232 V252	C151-L162 HydrophobicContact CB-CB 3.72Å; C151-L162 HydrophobicContact CB-CD1 4.48Å; S160-L162 PolarHBondContact O-N 3.41Å; S160-L162 VanDerWaalsContact O-N 3.07Å; S160-L162 WeakPolarHBondContact OG-CB 3.46Å; S160-L162 PolarHBondContact OG-N 2.92Å; L162-T185 HydrophobicContact CD2-CG2 4.02Å; L162-L187 HydrophobicContact CD2-CD1 4.05Å; L162-L187 HydrophobicContact CD2-CG 4.34Å; L162-Y232 WeakPolarHBondContact CB-OH 3.23Å; L162-Y232 WeakPolarHBondContact O-CE1 3.43Å; L162-Y232 PolarHBondContact O-OH 3.24Å; L162-V252 HydrophobicContact CD1-CG1 4.47Å
163	H	87.7	Confident	83.1	Confident	31 Å²	31	51.4 Å²	51.4	14%	0.144	26%	0.256	C	S	.	.			trans	-97.9	126.5	169.4	-53	-47.2	0	0	0	109.2	F149 N150 C151 C154 I157 S160 P161	F149-H163 VanDerWaalsContact O-CA 3.23Å; F149-H163 WeakPolarHBondContact O-CA 3.41Å; N150-H163 WeakPolarHBondContact CA-ND1 3.49Å; C151-H163 PolarHBondContact N-CE1 3.48Å; C151-H163 VanDerWaalsContact N-CE1 3.32Å; C151-H163 PolarHBondContact N-ND1 3.35Å; C151-H163 PolarHBondContact O-CE1 3.26Å; C154-H163 PolarHBondContact O-NE2 3.26Å; I157-H163 PolarHBondContact O-CD2 3.39Å; I157-H163 PolarHBondContact O-NE2 2.92Å; S160-H163 WeakPolarHBondContact O-CB 3.46Å; S160-H163 PolarHBondContact O-N 2.92Å; P161-H163 VanDerWaalsContact C-N 3.27Å
164	F	90.7	Very high	83.5	Confident	26 Å²	26	49.8 Å²	49.8	11%	0.114	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	156.9	-179	63.6	-86.7	0	0	0	111.9	F149 Q166 I180 I181 K184 T185 Y232	F149-F164 HydrophobicContact CB-CD1 4.07Å; F149-F164 HydrophobicContact CB-CD2 4.32Å; F149-F164 HydrophobicContact CB-CE1 3.68Å; F149-F164 HydrophobicContact CB-CE2 3.97Å; F149-F164 HydrophobicContact CB-CG 4.36Å; F149-F164 HydrophobicContact CB-CZ 3.62Å; F149-F164 HydrophobicContact CD1-CZ 4.11Å; F149-F164 AromaticContact CD2-CD2 3.84Å; F149-F164 HydrophobicContact CD2-CD2 3.84Å; F149-F164 AromaticContact CD2-CE2 3.25Å; F149-F164 HydrophobicContact CD2-CE2 3.25Å; F149-F164 AromaticContact CD2-CZ 3.64Å; F149-F164 HydrophobicContact CD2-CZ 3.64Å; F149-F164 AromaticContact CE2-CE2 3.8Å; F149-F164 HydrophobicContact CE2-CE2 3.8Å; F149-F164 HydrophobicContact CE2-CZ 4.3Å; F149-F164 HydrophobicContact CG-CD2 4.36Å; F149-F164 HydrophobicContact CG-CE1 4.12Å; F149-F164 AromaticContact CG-CE2 3.67Å; F149-F164 HydrophobicContact CG-CE2 3.67Å; F149-F164 AromaticContact CG-CZ 3.51Å; F149-F164 HydrophobicContact CG-CZ 3.51Å; F149-F164 PolarHBondContact N-O 3.14Å; F149-F164 PolarHBondContact O-N 2.99Å; F149-F164 VanDerWaalsContact O-N 3.08Å; F164-Q166 HydrophobicContact CD2-CB 4.44Å; F164-Q166 HydrophobicContact CE2-CB 4.41Å; F164-I180 HydrophobicContact CE2-CG2 3.84Å; F164-I180 HydrophobicContact CZ-CG2 4.27Å; F164-I181 HydrophobicContact CE1-CG1 4.39Å; F164-I181 HydrophobicContact CZ-CB 4.36Å; F164-I181 HydrophobicContact CZ-CG1 3.91Å; F164-K184 HydrophobicContact CD1-CB 4.14Å; F164-K184 HydrophobicContact CD2-CB 4.05Å; F164-K184 HydrophobicContact CD2-CG 3.94Å; F164-K184 HydrophobicContact CE1-CB 3.95Å; F164-K184 HydrophobicContact CE2-CB 3.85Å; F164-K184 HydrophobicContact CE2-CG 3.75Å; F164-K184 HydrophobicContact CG-CB 4.2Å; F164-K184 HydrophobicContact CZ-CB 3.81Å; F164-K184 HydrophobicContact CZ-CG 4.18Å; F164-T185 HydrophobicContact CD1-CG2 4.03Å; F164-T185 HydrophobicContact CE1-CG2 3.63Å; F164-Y232 HydrophobicContact CE1-CE1 4.5Å
165	E	92.3	Very high	83.8	Confident	91 Å²	91	52.9 Å²	52.9	43%	0.425	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.3	173.4	-65	-168.8	170.8	0	0	110.1	I146 C147 K148 K227	I146-E165 HydrophobicContact CG2-CB 4.37Å; C147-E165 CarbonylContact O-C 3.53Å; C147-E165 WeakPolarHBondContact O-CA 3.47Å; K148-E165 HydrophobicContact CB-CG 3.97Å; K148-E165 HydrophobicContact CD-CG 4.39Å; K148-E165 HydrophobicContact CG-CG 3.92Å; E165-K227 IonicContact OE1-NZ 3.61Å; E165-K227 PolarHBondContact OE1-NZ 3.08Å; E165-K227 IonicContact OE2-NZ 3.6Å; E165-K227 PolarHBondContact OE2-NZ 2.82Å; E165-K227 VanDerWaalsContact OE2-NZ 3.1Å
166	Q	89.8	Confident	83.8	Confident	51 Å²	51	50 Å²	50	24%	0.238	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.8	176.5	-178.3	63.1	51.2	0	0	109.9	C147 F149 F164 V168 I180	C147-Q166 PolarHBondContact N-O 2.88Å; C147-Q166 PolarHBondContact O-N 3.41Å; F149-Q166 HydrophobicContact CE2-CB 4.12Å; F164-Q166 HydrophobicContact CD2-CB 4.44Å; F164-Q166 HydrophobicContact CE2-CB 4.41Å; Q166-V168 HydrophobicContact CB-CG2 4.35Å; Q166-V168 HydrophobicContact CG-CG2 4.08Å; Q166-V168 PolarHBondContact O-N 2.96Å; Q166-I180 HydrophobicContact CB-CG2 4.4Å; Q166-I180 HydrophobicContact CG-CG2 4.08Å
167	L	87.8	Confident	84.2	Confident	68 Å²	68	42.5 Å²	42.5	36%	0.356	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.1	168.9	-176.3	72.1	0	0	0	108.6	I146 K222 A225	I146-L167 HydrophobicContact CG1-CD1 3.88Å; L167-K222 HydrophobicContact CD2-CB 4.36Å; L167-K222 HydrophobicContact CD2-CG 4.4Å; L167-A225 HydrophobicContact CD1-CB 3.73Å
168	V	87.7	Confident	84.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.1	-176.6	-173.3	0	0	0	0	110.3	S144 V145 C147 F149 Q166 T172 L177 I180 L212	S144-V168 WeakPolarHBondContact CA-O 3.34Å; V145-V168 PolarHBondContact N-O 2.84Å; V145-V168 PolarHBondContact O-N 2.69Å; C147-V168 HydrophobicContact CB-CG2 4.03Å; F149-V168 HydrophobicContact CE2-CG2 4.45Å; Q166-V168 HydrophobicContact CB-CG2 4.35Å; Q166-V168 HydrophobicContact CG-CG2 4.08Å; Q166-V168 PolarHBondContact O-N 2.96Å; V168-T172 HydrophobicContact CG1-CG2 3.83Å; V168-T172 WeakPolarHBondContact CG1-OG1 3.23Å; V168-L177 HydrophobicContact CG1-CD2 3.69Å; V168-L177 HydrophobicContact CG2-CD2 4.4Å; V168-I180 HydrophobicContact CG1-CD1 4.34Å; V168-I180 HydrophobicContact CG2-CD1 3.94Å; V168-L212 HydrophobicContact CB-CD1 4.42Å; V168-L212 HydrophobicContact CG1-CD1 3.89Å
169	P	84.7	Confident	84.9	Confident	30 Å²	30	32.2 Å²	32.2	20%	0.195	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	143.7	169.6	-23.1	35.2	0	0	0	112.8	Y69 N171 T172	Y69-P169 HydrophobicContact CE1-CB 3.96Å; Y69-P169 HydrophobicContact CE1-CG 4.1Å; P169-N171 WeakPolarHBondContact CB-OD1 3.39Å; P169-N171 PolarHBondContact O-N 3.04Å; P169-N171 VanDerWaalsContact O-N 3.16Å; P169-T172 VanDerWaalsContact O-CB 3.28Å; P169-T172 WeakPolarHBondContact O-CB 3.28Å; P169-T172 PolarHBondContact O-N 3.24Å; P169-T172 PolarHBondContact O-OG1 3.19Å; P169-T172 VanDerWaalsContact O-OG1 3.07Å
170	L	85.5	Confident	85.3	Confident	7 Å²	7	23.7 Å²	23.7	4%	0.037	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	-179.8	-94.5	-159.6	0	0	0	114.7	R142 G143 V145 T172 L212 S213 I217 S219	R142-L170 HydrophobicContact CB-CB 3.81Å; R142-L170 WeakPolarHBondContact O-CD1 3.3Å; G143-L170 PolarHBondContact O-N 2.97Å; V145-L170 HydrophobicContact CG1-CD2 4.32Å; L170-T172 VanDerWaalsContact C-N 3.25Å; L170-L212 HydrophobicContact CD2-CB 3.61Å; L170-L212 PolarHBondContact O-N 2.73Å; L170-S213 WeakPolarHBondContact O-CB 3.34Å; L170-S213 PolarHBondContact O-N 2.81Å; L170-S213 PolarHBondContact O-OG 3.43Å; L170-I217 HydrophobicContact CD2-CB 4.26Å; L170-I217 HydrophobicContact CD2-CG2 3.95Å; L170-S219 WeakPolarHBondContact CD1-OG 3.5Å
171	N	77.9	Confident	85.7	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.5	174.5	62	-41.3	0	0	0	112.9	Y69 T75 F109 P169 M211	Y69-N171 VanDerWaalsContact CE1-CG 3.49Å; Y69-N171 VanDerWaalsContact CE1-ND2 3.26Å; Y69-N171 WeakPolarHBondContact CE1-ND2 3.38Å; Y69-N171 WeakPolarHBondContact CE1-OD1 3.24Å; T75-N171 VanDerWaalsContact CG2-ND2 3.35Å; T75-N171 WeakPolarHBondContact CG2-ND2 3.38Å; F109-N171 HydrophobicContact CZ-CB 4.18Å; P169-N171 WeakPolarHBondContact CB-OD1 3.39Å; P169-N171 PolarHBondContact O-N 3.04Å; P169-N171 VanDerWaalsContact O-N 3.16Å; N171-M211 HydrophobicContact CB-SD 4.15Å
172	T	80.7	Confident	85.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.			trans	-70	126.3	170.7	-62.1	0	0	0	0	110.5	H68 V168 P169 L170 L177 M211 L212	H68-T172 WeakPolarHBondContact O-CG2 3.46Å; V168-T172 HydrophobicContact CG1-CG2 3.83Å; V168-T172 WeakPolarHBondContact CG1-OG1 3.23Å; P169-T172 VanDerWaalsContact O-CB 3.28Å; P169-T172 WeakPolarHBondContact O-CB 3.28Å; P169-T172 PolarHBondContact O-N 3.24Å; P169-T172 PolarHBondContact O-OG1 3.19Å; P169-T172 VanDerWaalsContact O-OG1 3.07Å; L170-T172 VanDerWaalsContact C-N 3.25Å; T172-L177 HydrophobicContact CG2-CD2 3.67Å; T172-L177 HydrophobicContact CG2-CG 4.1Å; T172-M211 WeakPolarHBondContact O-CA 3.48Å; T172-L212 PolarHBondContact O-N 3.32Å
173	F	85.3	Confident	85.6	Confident	37 Å²	37	28.5 Å²	28.5	16%	0.162	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-69.7	155	171	-71.5	-87.4	0	0	0	110.9	F109 E175 G176 L177 E209 L210 M211	F109-F173 HydrophobicContact CE1-CE2 4.13Å; F109-F173 HydrophobicContact CE2-CE2 4.47Å; F109-F173 HydrophobicContact CZ-CE2 4.04Å; F173-E175 PolarHBondContact O-N 3.02Å; F173-G176 WeakPolarHBondContact O-CA 3.38Å; F173-G176 PolarHBondContact O-N 3.18Å; F173-L177 PolarHBondContact O-N 3.45Å; F173-L177 VanDerWaalsContact O-N 3.13Å; F173-E209 WeakPolarHBondContact CE1-O 3.44Å; F173-L210 WeakPolarHBondContact CA-O 3.39Å; F173-M211 HydrophobicContact CD1-CG 3.79Å; F173-M211 HydrophobicContact CD2-CE 4.42Å; F173-M211 HydrophobicContact CD2-CG 4.25Å; F173-M211 HydrophobicContact CE1-CE 3.73Å; F173-M211 HydrophobicContact CE1-CG 3.76Å; F173-M211 HydrophobicContact CE2-CE 3.53Å; F173-M211 HydrophobicContact CE2-CG 4.21Å; F173-M211 HydrophobicContact CG-CG 4.06Å; F173-M211 HydrophobicContact CZ-CE 3.14Å; F173-M211 HydrophobicContact CZ-CG 3.99Å; F173-M211 HydrophobicContact CZ-SD 4.42Å
174	T	87.8	Confident	85.2	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-54.3	-37.5	173.5	-54.7	0	0	0	0	112	G176 L177 V178 I194 L206 L207 L210	T174-G176 VanDerWaalsContact C-N 3.32Å; T174-G176 PolarHBondContact O-N 2.75Å; T174-L177 WeakPolarHBondContact O-CB 3.37Å; T174-L177 PolarHBondContact O-N 3.03Å; T174-L177 VanDerWaalsContact O-N 3.11Å; T174-V178 PolarHBondContact O-N 3.3Å; T174-I194 HydrophobicContact CG2-CD1 4.38Å; T174-L206 HydrophobicContact CG2-CB 3.53Å; T174-L207 WeakPolarHBondContact CB-O 3.4Å; T174-L207 PolarHBondContact OG1-O 3.44Å; T174-L210 PolarHBondContact N-O 3.25Å; T174-L210 PolarHBondContact OG1-O 2.91Å
175	E	84.3	Confident	84.5	Confident	69 Å²	69	27.6 Å²	27.6	32%	0.322	13%	0.132	S	C	.	.	H	α-helix	trans	-60.3	-40.4	173.8	-173.5	175.7	-153	0	0	112.5	F173 L177 V178 N179	F173-E175 PolarHBondContact O-N 3.02Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.09Å; E175-V178 WeakPolarHBondContact O-CB 3.24Å; E175-V178 PolarHBondContact O-N 2.85Å; E175-V178 VanDerWaalsContact O-N 3.16Å; E175-N179 PolarHBondContact O-N 3.35Å
176	G	82.5	Confident	83.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-38.5	172.3	0	0	0	0	0	112.9	H68 Y69 F173 T174 N179 I180	H68-G176 VanDerWaalsContact O-CA 3.24Å; H68-G176 WeakPolarHBondContact O-CA 3.33Å; Y69-G176 VanDerWaalsContact O-CA 3.26Å; Y69-G176 WeakPolarHBondContact O-CA 3.31Å; Y69-G176 PolarHBondContact O-N 3.27Å; F173-G176 WeakPolarHBondContact O-CA 3.38Å; F173-G176 PolarHBondContact O-N 3.18Å; T174-G176 VanDerWaalsContact C-N 3.32Å; T174-G176 PolarHBondContact O-N 2.75Å; G176-N179 PolarHBondContact O-N 3.35Å; G176-I180 WeakPolarHBondContact O-CG1 3.39Å; G176-I180 PolarHBondContact O-N 3.37Å
177	L	89.4	Confident	82.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-40.4	173.6	-53.7	176.5	0	0	0	112	F149 V168 T172 F173 T174 E175 N179 I180 I181 I194 L206 L212 L230	F149-L177 HydrophobicContact CE1-CB 4.31Å; F149-L177 HydrophobicContact CZ-CD2 4.22Å; V168-L177 HydrophobicContact CG1-CD2 3.69Å; V168-L177 HydrophobicContact CG2-CD2 4.4Å; T172-L177 HydrophobicContact CG2-CD2 3.67Å; T172-L177 HydrophobicContact CG2-CG 4.1Å; F173-L177 PolarHBondContact O-N 3.45Å; F173-L177 VanDerWaalsContact O-N 3.13Å; T174-L177 WeakPolarHBondContact O-CB 3.37Å; T174-L177 PolarHBondContact O-N 3.03Å; T174-L177 VanDerWaalsContact O-N 3.11Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.09Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 3.2Å; L177-I180 HydrophobicContact CD2-CD1 4.39Å; L177-I180 WeakPolarHBondContact O-CB 3.1Å; L177-I180 PolarHBondContact O-N 3.35Å; L177-I181 WeakPolarHBondContact O-CG1 3.19Å; L177-I181 PolarHBondContact O-N 3.19Å; L177-I194 HydrophobicContact CB-CD1 3.48Å; L177-I194 VanDerWaalsContact CB-CD1 3.48Å; L177-I194 HydrophobicContact CD1-CD1 4.32Å; L177-L206 HydrophobicContact CD1-CD1 3.83Å; L177-L212 HydrophobicContact CD1-CD1 4.37Å; L177-L212 HydrophobicContact CD1-CD2 3.68Å; L177-L212 HydrophobicContact CD1-CG 4.04Å; L177-L212 HydrophobicContact CD2-CD1 4.01Å; L177-L212 HydrophobicContact CD2-CG 4.45Å; L177-L230 HydrophobicContact CD1-CD1 4.09Å
178	V	87.6	Confident	81.6	Confident	15 Å²	15	30.2 Å²	30.2	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-43.4	174	169.8	0	0	0	0	110.1	T174 E175 I181 R182 I192 I194	T174-V178 PolarHBondContact O-N 3.3Å; E175-V178 WeakPolarHBondContact O-CB 3.24Å; E175-V178 PolarHBondContact O-N 2.85Å; E175-V178 VanDerWaalsContact O-N 3.16Å; V178-I181 WeakPolarHBondContact O-CB 3.38Å; V178-I181 PolarHBondContact O-N 2.91Å; V178-R182 HydrophobicContact CG1-CG 4.47Å; V178-R182 WeakPolarHBondContact O-CG 3.41Å; V178-R182 PolarHBondContact O-N 2.85Å; V178-I192 HydrophobicContact CG1-CB 4.05Å; V178-I192 HydrophobicContact CG1-CD1 4.25Å; V178-I192 HydrophobicContact CG1-CG1 4.47Å; V178-I192 HydrophobicContact CG2-CB 4.31Å; V178-I194 HydrophobicContact CG2-CD1 3.81Å; V178-I194 HydrophobicContact CG2-CG1 4.31Å
179	N	83	Confident	80.7	Confident	15 Å²	15	31 Å²	31	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-38.9	176.8	-72.2	-9.4	0	0	0	112.1	D71 E175 G176 L177 I181 R182 H183	D71-N179 PolarHBondContact OD1-ND2 3.24Å; D71-N179 PolarHBondContact OD2-ND2 2.97Å; E175-N179 PolarHBondContact O-N 3.35Å; G176-N179 PolarHBondContact O-N 3.35Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 3.2Å; N179-I181 VanDerWaalsContact C-N 3.33Å; N179-I181 PolarHBondContact O-N 3.38Å; N179-R182 PolarHBondContact O-N 3.43Å; N179-R182 PolarHBondContact OD1-NH1 2.9Å; N179-H183 WeakPolarHBondContact O-CB 3.48Å; N179-H183 PolarHBondContact O-CD2 3.24Å; N179-H183 PolarHBondContact O-N 2.97Å
180	I	85.7	Confident	79.8	Confident	11 Å²	11	34 Å²	34	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-56.8	-47	171	-69	169.1	0	0	0	110.7	H68 F149 F164 Q166 V168 G176 L177 H183 K184	H68-I180 HydrophobicContact CB-CD1 4.14Å; H68-I180 HydrophobicContact CB-CG1 4.2Å; F149-I180 HydrophobicContact CE2-CG2 4.26Å; F149-I180 HydrophobicContact CZ-CG2 4.28Å; F164-I180 HydrophobicContact CE2-CG2 3.84Å; F164-I180 HydrophobicContact CZ-CG2 4.27Å; Q166-I180 HydrophobicContact CB-CG2 4.4Å; Q166-I180 HydrophobicContact CG-CG2 4.08Å; V168-I180 HydrophobicContact CG1-CD1 4.34Å; V168-I180 HydrophobicContact CG2-CD1 3.94Å; G176-I180 WeakPolarHBondContact O-CG1 3.39Å; G176-I180 PolarHBondContact O-N 3.37Å; L177-I180 HydrophobicContact CD2-CD1 4.39Å; L177-I180 WeakPolarHBondContact O-CB 3.1Å; L177-I180 PolarHBondContact O-N 3.35Å; I180-H183 PolarHBondContact O-N 3Å; I180-K184 HydrophobicContact CG2-CG 4.33Å; I180-K184 WeakPolarHBondContact O-CB 3.36Å; I180-K184 WeakPolarHBondContact O-CG 3.35Å; I180-K184 PolarHBondContact O-N 2.82Å
181	I	87.2	Confident	79.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-49.2	176.7	-64.9	162.6	0	0	0	110.3	F149 F164 L177 V178 N179 H183 K184 T185 I192 I194 Y232	F149-I181 HydrophobicContact CD1-CD1 3.81Å; F149-I181 HydrophobicContact CD1-CG1 3.63Å; F149-I181 HydrophobicContact CE1-CD1 4.01Å; F149-I181 HydrophobicContact CE1-CG1 3.88Å; F149-I181 HydrophobicContact CG-CG1 4.4Å; F164-I181 HydrophobicContact CE1-CG1 4.39Å; F164-I181 HydrophobicContact CZ-CB 4.36Å; F164-I181 HydrophobicContact CZ-CG1 3.91Å; L177-I181 WeakPolarHBondContact O-CG1 3.19Å; L177-I181 PolarHBondContact O-N 3.19Å; V178-I181 WeakPolarHBondContact O-CB 3.38Å; V178-I181 PolarHBondContact O-N 2.91Å; N179-I181 VanDerWaalsContact C-N 3.33Å; N179-I181 PolarHBondContact O-N 3.38Å; I181-H183 PolarHBondContact O-N 2.86Å; I181-K184 PolarHBondContact O-N 3.28Å; I181-T185 HydrophobicContact CG2-CG2 4.16Å; I181-T185 VanDerWaalsContact O-CB 3.32Å; I181-T185 WeakPolarHBondContact O-CB 3.48Å; I181-T185 WeakPolarHBondContact O-CG2 3.42Å; I181-T185 PolarHBondContact O-N 3.32Å; I181-T185 PolarHBondContact O-OG1 2.69Å; I181-I192 HydrophobicContact CD1-CG2 3.98Å; I181-I192 HydrophobicContact CG2-CD1 4.02Å; I181-I194 HydrophobicContact CD1-CD1 3.69Å; I181-I194 HydrophobicContact CD1-CG1 3.91Å; I181-Y232 HydrophobicContact CD1-CD1 4.03Å; I181-Y232 HydrophobicContact CD1-CD2 4.12Å; I181-Y232 HydrophobicContact CD1-CG 3.73Å; I181-Y232 HydrophobicContact CG1-CD1 4.45Å; I181-Y232 HydrophobicContact CG1-CG 4.5Å; I181-Y232 HydrophobicContact CG2-CD2 3.95Å; I181-Y232 HydrophobicContact CG2-CE1 4.45Å; I181-Y232 HydrophobicContact CG2-CE2 3.61Å; I181-Y232 HydrophobicContact CG2-CG 4.5Å
182	R	82.7	Confident	79.9	Confident	54 Å²	54	39.5 Å²	39.5	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-46.6	178.8	-70.4	177.8	169.5	148.1	-3.8	112.1	V178 N179 L186 L187 L189 P190 I192	V178-R182 HydrophobicContact CG1-CG 4.47Å; V178-R182 WeakPolarHBondContact O-CG 3.41Å; V178-R182 PolarHBondContact O-N 2.85Å; N179-R182 PolarHBondContact O-N 3.43Å; N179-R182 PolarHBondContact OD1-NH1 2.9Å; R182-L186 WeakPolarHBondContact O-CA 3.47Å; R182-L186 PolarHBondContact O-N 3.45Å; R182-L187 WeakPolarHBondContact CG-O 3.34Å; R182-L189 PolarHBondContact NH2-O 2.92Å; R182-L189 VanDerWaalsContact NH2-O 3.09Å; R182-P190 PolarHBondContact NH2-O 3.44Å; R182-I192 HydrophobicContact CG-CD1 3.91Å
183	H	77.7	Confident	80.4	Confident	83 Å²	83	39.8 Å²	39.8	38%	0.384	19%	0.186	S	C	.	.	H	α-helix	trans	-66.2	-40.5	179.3	-80.1	-67.2	0	0	0	112.6	N179 I180 I181 F272	N179-H183 WeakPolarHBondContact O-CB 3.48Å; N179-H183 PolarHBondContact O-CD2 3.24Å; N179-H183 PolarHBondContact O-N 2.97Å; I180-H183 PolarHBondContact O-N 3Å; I181-H183 PolarHBondContact O-N 2.86Å; H183-F272 HydrophobicContact CB-CE1 4.33Å; H183-F272 HydrophobicContact CB-CZ 4.04Å
184	K	79	Confident	80.8	Confident	39 Å²	39	38.1 Å²	38.1	17%	0.17	18%	0.178	C	C	.	.	H	α-helix	trans	-78.6	-29	-178.1	-72.2	-69.6	-171.7	173	0	113.8	F164 I180 I181 N269	F164-K184 HydrophobicContact CD1-CB 4.14Å; F164-K184 HydrophobicContact CD2-CB 4.05Å; F164-K184 HydrophobicContact CD2-CG 3.94Å; F164-K184 HydrophobicContact CE1-CB 3.95Å; F164-K184 HydrophobicContact CE2-CB 3.85Å; F164-K184 HydrophobicContact CE2-CG 3.75Å; F164-K184 HydrophobicContact CG-CB 4.2Å; F164-K184 HydrophobicContact CZ-CB 3.81Å; F164-K184 HydrophobicContact CZ-CG 4.18Å; I180-K184 HydrophobicContact CG2-CG 4.33Å; I180-K184 WeakPolarHBondContact O-CB 3.36Å; I180-K184 WeakPolarHBondContact O-CG 3.35Å; I180-K184 PolarHBondContact O-N 2.82Å; I181-K184 PolarHBondContact O-N 3.28Å; K184-N269 VanDerWaalsContact O-CG 3.28Å; K184-N269 PolarHBondContact O-ND2 2.91Å; K184-N269 PolarHBondContact O-OD1 3.26Å
185	T	76.4	Confident	81.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-110.6	-11.9	-173.6	65.3	0	0	0	0	113.4	L162 F164 I181 L187 L265	L162-T185 HydrophobicContact CD2-CG2 4.02Å; F164-T185 HydrophobicContact CD1-CG2 4.03Å; F164-T185 HydrophobicContact CE1-CG2 3.63Å; I181-T185 HydrophobicContact CG2-CG2 4.16Å; I181-T185 VanDerWaalsContact O-CB 3.32Å; I181-T185 WeakPolarHBondContact O-CB 3.48Å; I181-T185 WeakPolarHBondContact O-CG2 3.42Å; I181-T185 PolarHBondContact O-N 3.32Å; I181-T185 PolarHBondContact O-OG1 2.69Å; T185-L187 PolarHBondContact O-N 2.92Å; T185-L187 WeakPolarHBondContact OG1-CB 3.3Å; T185-L187 WeakPolarHBondContact OG1-CD1 3.44Å; T185-L187 VanDerWaalsContact OG1-CG 3.27Å; T185-L187 WeakPolarHBondContact OG1-CG 3.48Å; T185-L187 PolarHBondContact OG1-N 2.86Å; T185-L265 WeakPolarHBondContact O-CD1 3.35Å
186	L	71.2	Confident	81.5	Confident	55 Å²	55	38.3 Å²	38.3	29%	0.288	18%	0.18	S	C	.	.			trans	58.7	20.9	-172.3	-51.4	175	0	0	0	113.2	R182 W188 E268	R182-L186 WeakPolarHBondContact O-CA 3.47Å; R182-L186 PolarHBondContact O-N 3.45Å; L186-W188 PolarHBondContact O-N 2.96Å; L186-W188 VanDerWaalsContact O-N 3.14Å; L186-E268 HydrophobicContact CD1-CB 3.46Å; L186-E268 VanDerWaalsContact CD1-CB 3.46Å
187	L	70.6	Confident	82	Confident	9 Å²	9	39.8 Å²	39.8	5%	0.047	19%	0.191	C	C	.	.			trans	-77.4	95.2	175.5	-69.1	175.4	0	0	0	110.6	L162 R182 T185 L189 Y232 P234 L255	L162-L187 HydrophobicContact CD2-CD1 4.05Å; L162-L187 HydrophobicContact CD2-CG 4.34Å; R182-L187 WeakPolarHBondContact CG-O 3.34Å; T185-L187 PolarHBondContact O-N 2.92Å; T185-L187 WeakPolarHBondContact OG1-CB 3.3Å; T185-L187 WeakPolarHBondContact OG1-CD1 3.44Å; T185-L187 VanDerWaalsContact OG1-CG 3.27Å; T185-L187 WeakPolarHBondContact OG1-CG 3.48Å; T185-L187 PolarHBondContact OG1-N 2.86Å; L187-L189 HydrophobicContact CD2-CD1 4.27Å; L187-L189 PolarHBondContact O-N 3.22Å; L187-Y232 HydrophobicContact CD1-CE2 4.22Å; L187-P234 HydrophobicContact CD1-CG 3.96Å; L187-L255 HydrophobicContact CD2-CD1 4.4Å
188	W	67.4	Low	82	Confident	200 Å²	200	43 Å²	43	76%	0.758	21%	0.21	S	C	*	.			trans	-84.3	48.7	176.6	-67.3	91.8	0	0	0	112.9	L186	L186-W188 PolarHBondContact O-N 2.96Å; L186-W188 VanDerWaalsContact O-N 3.14Å
189	L	67.5	Low	82.1	Confident	19 Å²	19	47.7 Å²	47.7	10%	0.099	24%	0.235	C	C	.	.			trans	-89.8	147	-177.7	-66.3	169.5	0	0	0	111.6	R182 L187 K191 P234 I238 L248	R182-L189 PolarHBondContact NH2-O 2.92Å; R182-L189 VanDerWaalsContact NH2-O 3.09Å; L187-L189 HydrophobicContact CD2-CD1 4.27Å; L187-L189 PolarHBondContact O-N 3.22Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.21Å; L189-P234 HydrophobicContact CB-CB 4.35Å; L189-P234 HydrophobicContact CD1-CB 3.26Å; L189-P234 HydrophobicContact CD1-CG 4.01Å; L189-P234 HydrophobicContact CG-CB 4.44Å; L189-I238 HydrophobicContact CD2-CD1 4.4Å; L189-I238 HydrophobicContact CD2-CG1 4.5Å; L189-L248 HydrophobicContact CD1-CD1 4.38Å; L189-L248 HydrophobicContact CD1-CD2 3.42Å; L189-L248 VanDerWaalsContact CD1-CD2 3.42Å; L189-L248 HydrophobicContact CD2-CD1 4.14Å; L189-L248 HydrophobicContact CD2-CD2 3.9Å; L189-L248 HydrophobicContact CD2-CG 4.41Å; L189-L248 HydrophobicContact CG-CD2 4.27Å
190	P	65.9	Low	82.2	Confident	92 Å²	92	48.6 Å²	48.6	60%	0.597	24%	0.244	S	C	*	.	S	Bend	trans	-64	-36.5	-171	21.7	-31.6	0	0	0	112.5	R182	R182-P190 PolarHBondContact NH2-O 3.44Å
191	K	80	Confident	82.4	Confident	114 Å²	114	52.6 Å²	52.6	50%	0.496	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.7	176.4	-172.9	-179.5	174.7	-173.1	0	111	L189 S193 T235	L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.21Å; K191-S193 WeakPolarHBondContact CE-OG 3.17Å; K191-T235 CarbonylContact C-O 3.56Å; K191-T235 VanDerWaalsContact CB-O 3.3Å; K191-T235 WeakPolarHBondContact CB-O 3.07Å; K191-T235 WeakPolarHBondContact CD-OG1 3.37Å; K191-T235 WeakPolarHBondContact CG-OG1 3.48Å; K191-T235 PolarHBondContact N-O 3.4Å; K191-T235 PolarHBondContact O-N 2.6Å
192	I	86.9	Confident	82.3	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.062	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.6	170	-61.2	176.7	0	0	0	105.4	V178 I181 R182 Y232 P234	V178-I192 HydrophobicContact CG1-CB 4.05Å; V178-I192 HydrophobicContact CG1-CD1 4.25Å; V178-I192 HydrophobicContact CG1-CG1 4.47Å; V178-I192 HydrophobicContact CG2-CB 4.31Å; I181-I192 HydrophobicContact CD1-CG2 3.98Å; I181-I192 HydrophobicContact CG2-CD1 4.02Å; R182-I192 HydrophobicContact CG-CD1 3.91Å; I192-Y232 HydrophobicContact CG2-CD2 3.93Å; I192-Y232 HydrophobicContact CG2-CG 4.44Å; I192-P234 HydrophobicContact CG1-CB 4.49Å
193	S	90.5	Very high	82.6	Confident	7 Å²	7	64.1 Å²	64.1	5%	0.049	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.5	173.6	-74	0	0	0	0	109	K191 E205 Y232 K233	K191-S193 WeakPolarHBondContact CE-OG 3.17Å; S193-E205 VanDerWaalsContact CB-OE1 3.23Å; S193-E205 WeakPolarHBondContact CB-OE1 3.22Å; S193-E205 PolarHBondContact OG-OE1 3.03Å; S193-Y232 CarbonylContact O-C 3.57Å; S193-Y232 WeakPolarHBondContact O-CA 3.32Å; S193-Y232 WeakPolarHBondContact O-CB 3.4Å; S193-K233 PolarHBondContact N-O 3.33Å; S193-K233 PolarHBondContact O-N 2.95Å
194	I	93.6	Very high	83.2	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.4	-179.6	-53.8	175.4	0	0	0	108	T174 L177 V178 I181 E205 L206 L230 F231	T174-I194 HydrophobicContact CG2-CD1 4.38Å; L177-I194 HydrophobicContact CB-CD1 3.48Å; L177-I194 VanDerWaalsContact CB-CD1 3.48Å; L177-I194 HydrophobicContact CD1-CD1 4.32Å; V178-I194 HydrophobicContact CG2-CD1 3.81Å; V178-I194 HydrophobicContact CG2-CG1 4.31Å; I181-I194 HydrophobicContact CD1-CD1 3.69Å; I181-I194 HydrophobicContact CD1-CG1 3.91Å; I194-E205 CarbonylContact O-C 3.58Å; I194-E205 WeakPolarHBondContact O-CA 3.46Å; I194-L206 HydrophobicContact CB-CB 4.47Å; I194-L206 HydrophobicContact CB-CD1 4.18Å; I194-L206 HydrophobicContact CB-CG 4.45Å; I194-L206 HydrophobicContact CG2-CD1 3.7Å; I194-L206 HydrophobicContact CG2-CG 4.28Å; I194-L206 PolarHBondContact O-N 3.4Å; I194-L230 HydrophobicContact CG2-CB 4.14Å; I194-L230 HydrophobicContact CG2-CD1 4.35Å; I194-L230 HydrophobicContact CG2-CD2 4.34Å; I194-F231 CarbonylContact C-O 3.56Å; I194-F231 WeakPolarHBondContact CA-O 3.39Å
195	F	94.6	Very high	83.9	Confident	13 Å²	13	61.6 Å²	61.6	6%	0.057	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.9	-172.3	-54	-90.2	0	0	0	110.4	L152 S197 A200 S204 E205 F231 K233	L152-F195 HydrophobicContact CD1-CD2 4.02Å; L152-F195 HydrophobicContact CD1-CE2 4.3Å; F195-S197 VanDerWaalsContact C-N 3.3Å; F195-S197 WeakPolarHBondContact CB-O 3.35Å; F195-A200 HydrophobicContact CD1-CB 4.03Å; F195-A200 HydrophobicContact CD2-CB 4.02Å; F195-A200 HydrophobicContact CE1-CB 3.93Å; F195-A200 HydrophobicContact CE2-CB 3.93Å; F195-A200 HydrophobicContact CG-CB 4.08Å; F195-A200 HydrophobicContact CZ-CB 3.89Å; F195-S204 CarbonylContact C-O 3.58Å; F195-S204 VanDerWaalsContact CA-O 3.24Å; F195-S204 WeakPolarHBondContact CA-O 3.36Å; F195-E205 HydrophobicContact CD1-CB 3.72Å; F195-E205 HydrophobicContact CD1-CG 4.1Å; F195-E205 HydrophobicContact CE1-CB 3.65Å; F195-E205 HydrophobicContact CE1-CG 3.75Å; F195-E205 HydrophobicContact CZ-CG 4.3Å; F195-F231 HydrophobicContact CB-CB 4.34Å; F195-F231 PolarHBondContact N-O 2.76Å; F195-F231 PolarHBondContact O-N 3.37Å; F195-K233 HydrophobicContact CE2-CB 4.29Å
196	L	93.1	Very high	84.7	Confident	65 Å²	65	61.8 Å²	61.8	34%	0.34	32%	0.322	S	S	.	.	S	Bend	trans	-81.7	-10.1	170.3	-65.2	171.1	0	0	0	112.8	S204 L206 Y215 I217 L228 L230	L196-S204 PolarHBondContact N-O 2.92Å; L196-L206 HydrophobicContact CD1-CD2 3.95Å; L196-L206 HydrophobicContact CD2-CD2 4.08Å; L196-L206 HydrophobicContact CG-CD2 3.75Å; L196-Y215 HydrophobicContact CD1-CD1 4.27Å; L196-I217 HydrophobicContact CD2-CD1 4.36Å; L196-L228 HydrophobicContact CD2-CD1 4.29Å; L196-L230 HydrophobicContact CD2-CD2 3.74Å
197	S	91	Very high	85.5	Confident	32 Å²	32	63.5 Å²	63.5	22%	0.224	33%	0.331	C	S	.	.	S	Bend	trans	-125	144.3	-179.2	178.9	0	0	0	0	111.5	F195 N199 A200	F195-S197 VanDerWaalsContact C-N 3.3Å; F195-S197 WeakPolarHBondContact CB-O 3.35Å; S197-N199 PolarHBondContact O-N 3.45Å; S197-N199 PolarHBondContact OG-N 3.28Å; S197-A200 PolarHBondContact O-N 3.32Å
198	V	90.9	Very high	86	Confident	68 Å²	68	66.8 Å²	66.8	41%	0.412	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	176.4	69.3	0	0	0	0	112.7	L152 M155 A200 F231	L152-V198 HydrophobicContact CD2-CG2 4.13Å; L152-V198 WeakPolarHBondContact CD2-O 3.18Å; M155-V198 HydrophobicContact CE-CG2 4.04Å; V198-A200 PolarHBondContact O-N 2.84Å; V198-F231 HydrophobicContact CB-CD1 3.95Å; V198-F231 HydrophobicContact CB-CD2 4.46Å; V198-F231 HydrophobicContact CB-CE1 3.68Å; V198-F231 HydrophobicContact CB-CE2 4.23Å; V198-F231 HydrophobicContact CB-CG 4.33Å; V198-F231 HydrophobicContact CB-CZ 3.84Å; V198-F231 HydrophobicContact CG2-CD1 3.94Å; V198-F231 HydrophobicContact CG2-CE1 3.76Å; V198-F231 HydrophobicContact CG2-CZ 4.39Å
199	N	89.1	Confident	86.5	Confident	112 Å²	112	64.2 Å²	64.2	60%	0.599	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.4	-178.3	-64.4	-19.4	0	0	0	113.5	S197 E201	S197-N199 PolarHBondContact O-N 3.45Å; S197-N199 PolarHBondContact OG-N 3.28Å; N199-E201 HydrophobicContact CB-CG 3.88Å; N199-E201 WeakPolarHBondContact CB-OE1 3.39Å; N199-E201 PolarHBondContact ND2-OE1 3.02Å; N199-E201 PolarHBondContact O-N 3.27Å
200	A	86.3	Confident	87.2	Confident	34 Å²	34	66.1 Å²	66.1	28%	0.281	36%	0.359	S	S	.	.			trans	53.5	37.8	-175.5	0	0	0	0	0	113.8	L152 F195 S197 V198	L152-A200 HydrophobicContact CD1-CB 3.74Å; F195-A200 HydrophobicContact CD1-CB 4.03Å; F195-A200 HydrophobicContact CD2-CB 4.02Å; F195-A200 HydrophobicContact CE1-CB 3.93Å; F195-A200 HydrophobicContact CE2-CB 3.93Å; F195-A200 HydrophobicContact CG-CB 4.08Å; F195-A200 HydrophobicContact CZ-CB 3.89Å; S197-A200 PolarHBondContact O-N 3.32Å; V198-A200 PolarHBondContact O-N 2.84Å
201	E	88.1	Confident	88.2	Confident	95 Å²	95	62.7 Å²	62.7	44%	0.444	34%	0.335	S	S	.	.			trans	-67.5	140.4	176.5	-69.9	163.4	-155.9	0	0	109.9	N199 E203 S204 E205	N199-E201 HydrophobicContact CB-CG 3.88Å; N199-E201 WeakPolarHBondContact CB-OE1 3.39Å; N199-E201 PolarHBondContact ND2-OE1 3.02Å; N199-E201 PolarHBondContact O-N 3.27Å; E201-E203 PolarHBondContact O-N 2.9Å; E201-E203 VanDerWaalsContact O-N 3.14Å; E201-S204 PolarHBondContact N-OG 3.39Å; E201-S204 WeakPolarHBondContact O-CA 3.38Å; E201-S204 WeakPolarHBondContact O-CB 3.47Å; E201-S204 PolarHBondContact O-N 3.42Å; E201-S204 PolarHBondContact O-OG 2.87Å; E201-E205 PolarHBondContact O-N 3.1Å
202	S	86.7	Confident	88.5	Confident	105 Å²	105	57.2 Å²	57.2	73%	0.734	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-58	-30.6	-176.9	-56.2	0	0	0	0	113.7	S204 E205	S202-S204 PolarHBondContact O-N 3.2Å; S202-E205 PolarHBondContact O-N 3.24Å
203	E	87.8	Confident	88.3	Confident	192 Å²	192	58 Å²	58	90%	0.897	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-69.9	-22.2	176.1	-62.3	-175.9	-179.3	0	0	113.1	E201	E201-E203 PolarHBondContact O-N 2.9Å; E201-E203 VanDerWaalsContact O-N 3.14Å
204	S	90.8	Very high	88	Confident	15 Å²	15	61.9 Å²	61.9	11%	0.105	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-92.6	-8.3	177.8	74.8	0	0	0	0	113.1	F195 L196 E201 S202 L206	F195-S204 CarbonylContact C-O 3.58Å; F195-S204 VanDerWaalsContact CA-O 3.24Å; F195-S204 WeakPolarHBondContact CA-O 3.36Å; L196-S204 PolarHBondContact N-O 2.92Å; E201-S204 PolarHBondContact N-OG 3.39Å; E201-S204 WeakPolarHBondContact O-CA 3.38Å; E201-S204 WeakPolarHBondContact O-CB 3.47Å; E201-S204 PolarHBondContact O-N 3.42Å; E201-S204 PolarHBondContact O-OG 2.87Å; S202-S204 PolarHBondContact O-N 3.2Å; S204-L206 PolarHBondContact O-N 3.42Å
205	E	93.3	Very high	87.7	Confident	54 Å²	54	63.9 Å²	63.9	25%	0.252	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-69.5	127.2	180	-168.1	171.8	-173.4	0	0	110.3	S193 I194 F195 E201 S202	S193-E205 VanDerWaalsContact CB-OE1 3.23Å; S193-E205 WeakPolarHBondContact CB-OE1 3.22Å; S193-E205 PolarHBondContact OG-OE1 3.03Å; I194-E205 CarbonylContact O-C 3.58Å; I194-E205 WeakPolarHBondContact O-CA 3.46Å; F195-E205 HydrophobicContact CD1-CB 3.72Å; F195-E205 HydrophobicContact CD1-CG 4.1Å; F195-E205 HydrophobicContact CE1-CB 3.65Å; F195-E205 HydrophobicContact CE1-CG 3.75Å; F195-E205 HydrophobicContact CZ-CG 4.3Å; E201-E205 PolarHBondContact O-N 3.1Å; S202-E205 PolarHBondContact O-N 3.24Å
206	L	92.7	Very high	87.2	Confident	4 Å²	4	72 Å²	72	2%	0.021	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-74.8	129.7	174.4	-58.6	-174.5	0	0	0	109.7	T174 L177 I194 L196 S204 L212 Y215 L230	T174-L206 HydrophobicContact CG2-CB 3.53Å; L177-L206 HydrophobicContact CD1-CD1 3.83Å; I194-L206 HydrophobicContact CB-CB 4.47Å; I194-L206 HydrophobicContact CB-CD1 4.18Å; I194-L206 HydrophobicContact CB-CG 4.45Å; I194-L206 HydrophobicContact CG2-CD1 3.7Å; I194-L206 HydrophobicContact CG2-CG 4.28Å; I194-L206 PolarHBondContact O-N 3.4Å; L196-L206 HydrophobicContact CD1-CD2 3.95Å; L196-L206 HydrophobicContact CD2-CD2 4.08Å; L196-L206 HydrophobicContact CG-CD2 3.75Å; S204-L206 PolarHBondContact O-N 3.42Å; L206-L212 HydrophobicContact CD1-CD2 4.24Å; L206-Y215 VanDerWaalsContact CA-OH 3.32Å; L206-Y215 WeakPolarHBondContact CA-OH 3.4Å; L206-Y215 HydrophobicContact CD2-CD1 3.93Å; L206-Y215 HydrophobicContact CD2-CD2 4.11Å; L206-Y215 HydrophobicContact CD2-CE1 3.53Å; L206-Y215 HydrophobicContact CD2-CE2 3.74Å; L206-Y215 HydrophobicContact CD2-CG 4.21Å; L206-Y215 VanDerWaalsContact CD2-CZ 3.43Å; L206-L230 HydrophobicContact CD1-CD2 4.18Å
207	L	88.9	Confident	86.9	Confident	91 Å²	91	70.1 Å²	70.1	48%	0.476	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-82.5	138.1	178.2	-59.4	179.3	0	0	0	111.2	T174 E209 L210 Y215	T174-L207 WeakPolarHBondContact CB-O 3.4Å; T174-L207 PolarHBondContact OG1-O 3.44Å; L207-E209 VanDerWaalsContact C-N 3.3Å; L207-E209 PolarHBondContact O-N 3Å; L207-L210 HydrophobicContact CB-CD1 4.02Å; L207-L210 HydrophobicContact CB-CG 4.08Å; L207-L210 HydrophobicContact CD1-CD1 3.99Å; L207-L210 HydrophobicContact CG-CD1 4.35Å; L207-L210 PolarHBondContact O-N 2.98Å; L207-L210 VanDerWaalsContact O-N 3.17Å; L207-Y215 PolarHBondContact N-OH 3.17Å
208	P	81.8	Confident	86.6	Confident	77 Å²	77	77 Å²	77	50%	0.5	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.4	-177.3	-28.5	35.9	0	0	0	114.7	L210	P208-L210 VanDerWaalsContact C-N 3.29Å; P208-L210 PolarHBondContact O-N 3.08Å
209	E	77	Confident	86.2	Confident	147 Å²	147	76.5 Å²	76.5	69%	0.687	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-3.1	-175	-50.9	96	170.9	0	0	114.3	F173 L207	F173-E209 WeakPolarHBondContact CE1-O 3.44Å; L207-E209 VanDerWaalsContact C-N 3.3Å; L207-E209 PolarHBondContact O-N 3Å
210	L	83.2	Confident	85.6	Confident	58 Å²	58	71.9 Å²	71.9	30%	0.304	39%	0.385	S	S	.	.			trans	-101.2	146.4	-177.7	-62.2	-175.3	0	0	0	111.8	F173 T174 L207 P208 D214 Y215	F173-L210 WeakPolarHBondContact CA-O 3.39Å; T174-L210 PolarHBondContact N-O 3.25Å; T174-L210 PolarHBondContact OG1-O 2.91Å; L207-L210 HydrophobicContact CB-CD1 4.02Å; L207-L210 HydrophobicContact CB-CG 4.08Å; L207-L210 HydrophobicContact CD1-CD1 3.99Å; L207-L210 HydrophobicContact CG-CD1 4.35Å; L207-L210 PolarHBondContact O-N 2.98Å; L207-L210 VanDerWaalsContact O-N 3.17Å; P208-L210 VanDerWaalsContact C-N 3.29Å; P208-L210 PolarHBondContact O-N 3.08Å; L210-D214 HydrophobicContact CB-CB 4.33Å; L210-D214 HydrophobicContact CD2-CB 4.36Å; L210-Y215 HydrophobicContact CB-CE2 3.88Å; L210-Y215 WeakPolarHBondContact CB-OH 3.14Å; L210-Y215 HydrophobicContact CD1-CE1 4.34Å
211	M	85.9	Confident	85.1	Confident	20 Å²	20	73 Å²	73	10%	0.099	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-87.4	159.2	170.6	-59.8	176.8	-163.4	0	0	111.1	F109 N171 T172 F173 S213 D214 Y215	F109-M211 HydrophobicContact CD2-CE 4.3Å; F109-M211 HydrophobicContact CE2-CE 3.31Å; F109-M211 HydrophobicContact CE2-SD 4.27Å; F109-M211 HydrophobicContact CZ-CE 3.54Å; F109-M211 HydrophobicContact CZ-SD 4.12Å; N171-M211 HydrophobicContact CB-SD 4.15Å; T172-M211 WeakPolarHBondContact O-CA 3.48Å; F173-M211 HydrophobicContact CD1-CG 3.79Å; F173-M211 HydrophobicContact CD2-CE 4.42Å; F173-M211 HydrophobicContact CD2-CG 4.25Å; F173-M211 HydrophobicContact CE1-CE 3.73Å; F173-M211 HydrophobicContact CE1-CG 3.76Å; F173-M211 HydrophobicContact CE2-CE 3.53Å; F173-M211 HydrophobicContact CE2-CG 4.21Å; F173-M211 HydrophobicContact CG-CG 4.06Å; F173-M211 HydrophobicContact CZ-CE 3.14Å; F173-M211 HydrophobicContact CZ-CG 3.99Å; F173-M211 HydrophobicContact CZ-SD 4.42Å; M211-S213 PolarHBondContact O-N 2.9Å; M211-S213 VanDerWaalsContact O-N 3.15Å; M211-D214 PolarHBondContact N-OD2 3.16Å; M211-D214 WeakPolarHBondContact O-CB 3.45Å; M211-D214 PolarHBondContact O-N 2.79Å; M211-Y215 WeakPolarHBondContact O-CD2 3.35Å; M211-Y215 VanDerWaalsContact O-CE2 3.23Å; M211-Y215 WeakPolarHBondContact O-CE2 3.34Å
212	L	85.9	Confident	84.3	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.2	171.6	-73.2	179.2	0	0	0	113	V145 V168 L170 T172 L177 L206 D214 Y215 I217	V145-L212 HydrophobicContact CG1-CD1 4.03Å; V168-L212 HydrophobicContact CB-CD1 4.42Å; V168-L212 HydrophobicContact CG1-CD1 3.89Å; L170-L212 HydrophobicContact CD2-CB 3.61Å; L170-L212 PolarHBondContact O-N 2.73Å; T172-L212 PolarHBondContact O-N 3.32Å; L177-L212 HydrophobicContact CD1-CD1 4.37Å; L177-L212 HydrophobicContact CD1-CD2 3.68Å; L177-L212 HydrophobicContact CD1-CG 4.04Å; L177-L212 HydrophobicContact CD2-CD1 4.01Å; L177-L212 HydrophobicContact CD2-CG 4.45Å; L206-L212 HydrophobicContact CD1-CD2 4.24Å; L212-D214 PolarHBondContact O-N 2.83Å; L212-Y215 PolarHBondContact O-N 2.79Å; L212-I217 HydrophobicContact CB-CD1 4.3Å; L212-I217 HydrophobicContact CD2-CD1 3.8Å
213	S	83.5	Confident	83.6	Confident	29 Å²	29	81 Å²	81	20%	0.203	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-72.6	-11.9	176.5	36.8	0	0	0	0	114.9	R142 L170 M211	R142-S213 VanDerWaalsContact CD-OG 3.24Å; R142-S213 WeakPolarHBondContact CD-OG 3.33Å; R142-S213 PolarHBondContact NH1-OG 3.25Å; L170-S213 WeakPolarHBondContact O-CB 3.34Å; L170-S213 PolarHBondContact O-N 2.81Å; L170-S213 PolarHBondContact O-OG 3.43Å; M211-S213 PolarHBondContact O-N 2.9Å; M211-S213 VanDerWaalsContact O-N 3.15Å
214	D	85	Confident	83.3	Confident	88 Å²	88	78.2 Å²	78.2	47%	0.471	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-82	-10.8	173.5	-58.3	-36.8	0	0	0	111.5	L210 M211 L212	L210-D214 HydrophobicContact CB-CB 4.33Å; L210-D214 HydrophobicContact CD2-CB 4.36Å; M211-D214 PolarHBondContact N-OD2 3.16Å; M211-D214 WeakPolarHBondContact O-CB 3.45Å; M211-D214 PolarHBondContact O-N 2.79Å; L212-D214 PolarHBondContact O-N 2.83Å
215	Y	86.2	Confident	83	Confident	42 Å²	42	78.1 Å²	78.1	17%	0.165	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	156.2	169.7	-53.4	-89.4	0	0	0	109.8	L196 L206 L207 L210 M211 L212 I217	L196-Y215 HydrophobicContact CD1-CD1 4.27Å; L206-Y215 VanDerWaalsContact CA-OH 3.32Å; L206-Y215 WeakPolarHBondContact CA-OH 3.4Å; L206-Y215 HydrophobicContact CD2-CD1 3.93Å; L206-Y215 HydrophobicContact CD2-CD2 4.11Å; L206-Y215 HydrophobicContact CD2-CE1 3.53Å; L206-Y215 HydrophobicContact CD2-CE2 3.74Å; L206-Y215 HydrophobicContact CD2-CG 4.21Å; L206-Y215 VanDerWaalsContact CD2-CZ 3.43Å; L207-Y215 PolarHBondContact N-OH 3.17Å; L210-Y215 HydrophobicContact CB-CE2 3.88Å; L210-Y215 WeakPolarHBondContact CB-OH 3.14Å; L210-Y215 HydrophobicContact CD1-CE1 4.34Å; M211-Y215 WeakPolarHBondContact O-CD2 3.35Å; M211-Y215 VanDerWaalsContact O-CE2 3.23Å; M211-Y215 WeakPolarHBondContact O-CE2 3.34Å; L212-Y215 PolarHBondContact O-N 2.79Å; Y215-I217 HydrophobicContact CG-CD1 4.48Å; Y215-I217 PolarHBondContact O-N 2.9Å
216	D	85.3	Confident	82.8	Confident	183 Å²	183	77.6 Å²	77.6	98%	0.979	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	48.3	178.2	-76	-34.1	0	0	0	112.8
217	I	86.1	Confident	82.8	Confident	27 Å²	27	84 Å²	84	14%	0.138	43%	0.43	C	S	.	.			trans	-88.1	130	-178.9	-64	170.1	0	0	0	109.2	V145 L170 L196 L212 Y215 L228	V145-I217 HydrophobicContact CG2-CG2 4.38Å; L170-I217 HydrophobicContact CD2-CB 4.26Å; L170-I217 HydrophobicContact CD2-CG2 3.95Å; L196-I217 HydrophobicContact CD2-CD1 4.36Å; L212-I217 HydrophobicContact CB-CD1 4.3Å; L212-I217 HydrophobicContact CD2-CD1 3.8Å; Y215-I217 HydrophobicContact CG-CD1 4.48Å; Y215-I217 PolarHBondContact O-N 2.9Å; I217-L228 HydrophobicContact CD1-CD2 3.7Å; I217-L228 HydrophobicContact CG1-CD2 4.31Å; I217-L228 HydrophobicContact CG2-CD2 4.02Å
218	K	84.3	Confident	83	Confident	176 Å²	176	81.2 Å²	81.2	77%	0.765	42%	0.415	S	S	*	.			trans	-69.2	135.7	172.6	-65.1	-179	-178.7	176	0	109.7	P226	K218-P226 HydrophobicContact CB-CG 4.29Å; K218-P226 WeakPolarHBondContact O-CG 3.45Å
219	S	81.9	Confident	83.6	Confident	57 Å²	57	81.2 Å²	81.2	40%	0.399	41%	0.411	S	S	.	.			trans	-120.6	158.7	170.9	58.8	0	0	0	0	113.1	R142 L170	R142-S219 WeakPolarHBondContact O-CB 3.42Å; R142-S219 PolarHBondContact O-OG 2.88Å; L170-S219 WeakPolarHBondContact CD1-OG 3.5Å
220	G	78.3	Confident	84.5	Confident	16 Å²	16	74.2 Å²	74.2	17%	0.165	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-134	176.3	172.8	0	0	0	0	0	110.7	G143 S144 P226	G143-G220 CarbonylContact C-O 3.3Å; G143-G220 WeakPolarHBondContact CA-O 3.19Å; S144-G220 PolarHBondContact N-O 2.87Å; S144-G220 PolarHBondContact O-N 3.19Å; G220-P226 VanDerWaalsContact N-CD 3.26Å
221	A	75.7	Confident	85	Confident	56 Å²	56	72.7 Å²	72.7	46%	0.463	37%	0.369	S	S	.	.			trans	-64.5	161	168	0	0	0	0	0	110.1	Y223 D224 A225	A221-Y223 PolarHBondContact O-N 2.89Å; A221-D224 CarbonylContact O-C 3.48Å; A221-D224 VanDerWaalsContact O-C 3.27Å; A221-D224 PolarHBondContact O-N 3.39Å; A221-A225 PolarHBondContact O-N 3.32Å
222	K	71.2	Confident	85.4	Confident	137 Å²	137	71.8 Å²	71.8	60%	0.596	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.4	-177.8	-68.1	-174.8	179.9	-178.4	0	114.6	L167	L167-K222 HydrophobicContact CD2-CB 4.36Å; L167-K222 HydrophobicContact CD2-CG 4.4Å
223	Y	71.3	Confident	85.4	Confident	231 Å²	231	74.4 Å²	74.4	91%	0.906	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.8	-179	-57	-74.7	0	0	0	114.7	A221	A221-Y223 PolarHBondContact O-N 2.89Å
224	D	80.5	Confident	85.1	Confident	135 Å²	135	73.1 Å²	73.1	72%	0.722	37%	0.367	S	S	*	.	S	Bend	trans	-136	35.3	-178.6	-167.5	32.3	0	0	0	109.9	A221	A221-D224 CarbonylContact O-C 3.48Å; A221-D224 VanDerWaalsContact O-C 3.27Å; A221-D224 PolarHBondContact O-N 3.39Å
225	A	85.7	Confident	84.2	Confident	13 Å²	13	70.7 Å²	70.7	11%	0.107	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-74	125.4	-176.9	0	0	0	0	0	109.1	S144 I146 L167 A221	S144-A225 WeakPolarHBondContact O-CB 3.39Å; I146-A225 HydrophobicContact CD1-CB 4.49Å; I146-A225 HydrophobicContact CG1-CB 4.03Å; L167-A225 HydrophobicContact CD1-CB 3.73Å; A221-A225 PolarHBondContact O-N 3.32Å
226	P	89.2	Confident	82.8	Confident	43 Å²	43	70.3 Å²	70.3	28%	0.279	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.6	156.1	177.3	27.2	-33.6	0	0	0	110.9	V145 I146 K218 G220	V145-P226 HydrophobicContact CG2-CG 4.5Å; V145-P226 WeakPolarHBondContact CG2-O 3.28Å; I146-P226 PolarHBondContact N-O 2.97Å; K218-P226 HydrophobicContact CB-CG 4.29Å; K218-P226 WeakPolarHBondContact O-CG 3.45Å; G220-P226 VanDerWaalsContact N-CD 3.26Å
227	K	92	Very high	81	Confident	138 Å²	138	67 Å²	67	60%	0.6	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.1	173.1	-68	-163.3	170.9	-148.9	0	111	I146 E165	I146-K227 HydrophobicContact CB-CG 4.3Å; I146-K227 WeakPolarHBondContact O-CA 3.41Å; E165-K227 IonicContact OE1-NZ 3.61Å; E165-K227 PolarHBondContact OE1-NZ 3.08Å; E165-K227 IonicContact OE2-NZ 3.6Å; E165-K227 PolarHBondContact OE2-NZ 2.82Å; E165-K227 VanDerWaalsContact OE2-NZ 3.1Å
228	L	93.8	Very high	79.1	Confident	33 Å²	33	69.2 Å²	69.2	17%	0.173	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.8	173.7	174.7	69.7	0	0	0	109.3	V145 I146 C147 K148 L196 I217 L230	V145-L228 HydrophobicContact CG2-CB 3.41Å; V145-L228 VanDerWaalsContact CG2-CB 3.41Å; V145-L228 HydrophobicContact CG2-CD2 4.27Å; V145-L228 HydrophobicContact CG2-CG 4.49Å; I146-L228 PolarHBondContact O-N 3.34Å; C147-L228 CarbonylContact C-O 3.5Å; C147-L228 WeakPolarHBondContact CA-O 3.36Å; K148-L228 PolarHBondContact N-O 3.31Å; L196-L228 HydrophobicContact CD2-CD1 4.29Å; I217-L228 HydrophobicContact CD1-CD2 3.7Å; I217-L228 HydrophobicContact CG1-CD2 4.31Å; I217-L228 HydrophobicContact CG2-CD2 4.02Å; L228-L230 HydrophobicContact CD2-CD2 3.83Å; L228-L230 HydrophobicContact CD2-CG 4.17Å; L228-L230 HydrophobicContact CG-CD2 4.1Å; L228-L230 HydrophobicContact CG-CG 4.3Å
229	D	94.2	Very high	77	Confident	77 Å²	77	68.2 Å²	68.2	41%	0.412	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.4	170.1	-73.5	-64.5	0	0	0	109.8	K148 N150 F231	K148-D229 WeakPolarHBondContact CD-OD1 3.2Å; N150-D229 PolarHBondContact ND2-OD1 3.09Å; D229-F231 HydrophobicContact CB-CE2 3.98Å; D229-F231 HydrophobicContact CB-CZ 4.04Å
230	L	95.5	Very high	75	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.6	170.1	-66.4	-178.4	0	0	0	108.4	C147 K148 F149 N150 L177 I194 L196 L206 L228	C147-L230 HydrophobicContact CB-CD1 3.96Å; C147-L230 HydrophobicContact CB-CG 4.49Å; K148-L230 PolarHBondContact O-N 3.42Å; K148-L230 VanDerWaalsContact O-O 3.09Å; F149-L230 CarbonylContact C-O 3.46Å; F149-L230 WeakPolarHBondContact CA-O 3.34Å; F149-L230 HydrophobicContact CD1-CB 4.25Å; F149-L230 HydrophobicContact CD1-CD1 4.32Å; F149-L230 HydrophobicContact CE1-CB 4.48Å; F149-L230 HydrophobicContact CE1-CD1 3.74Å; F149-L230 HydrophobicContact CZ-CD1 3.99Å; N150-L230 PolarHBondContact N-O 3.24Å; N150-L230 PolarHBondContact ND2-O 3.48Å; L177-L230 HydrophobicContact CD1-CD1 4.09Å; I194-L230 HydrophobicContact CG2-CB 4.14Å; I194-L230 HydrophobicContact CG2-CD1 4.35Å; I194-L230 HydrophobicContact CG2-CD2 4.34Å; L196-L230 HydrophobicContact CD2-CD2 3.74Å; L206-L230 HydrophobicContact CD1-CD2 4.18Å; L228-L230 HydrophobicContact CD2-CD2 3.83Å; L228-L230 HydrophobicContact CD2-CG 4.17Å; L228-L230 HydrophobicContact CG-CD2 4.1Å; L228-L230 HydrophobicContact CG-CG 4.3Å
231	F	94.4	Very high	73.3	Confident	26 Å²	26	71.9 Å²	71.9	11%	0.114	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.8	177.3	-58.6	-87.2	0	0	0	108.3	N150 L152 M155 I194 F195 V198 D229	N150-F231 HydrophobicContact CB-CD1 3.81Å; N150-F231 HydrophobicContact CB-CE1 4.05Å; N150-F231 CarbonylContact O-C 3.57Å; N150-F231 WeakPolarHBondContact O-CA 3.44Å; L152-F231 HydrophobicContact CD1-CB 4.23Å; L152-F231 HydrophobicContact CD2-CB 3.91Å; L152-F231 HydrophobicContact CD2-CD1 4.02Å; L152-F231 HydrophobicContact CD2-CG 4.31Å; L152-F231 HydrophobicContact CG-CB 4Å; M155-F231 HydrophobicContact CE-CD1 4.25Å; M155-F231 HydrophobicContact CE-CE1 3.88Å; M155-F231 HydrophobicContact SD-CD1 4.17Å; M155-F231 HydrophobicContact SD-CE1 4.37Å; I194-F231 CarbonylContact C-O 3.56Å; I194-F231 WeakPolarHBondContact CA-O 3.39Å; F195-F231 HydrophobicContact CB-CB 4.34Å; F195-F231 PolarHBondContact N-O 2.76Å; F195-F231 PolarHBondContact O-N 3.37Å; V198-F231 HydrophobicContact CB-CD1 3.95Å; V198-F231 HydrophobicContact CB-CD2 4.46Å; V198-F231 HydrophobicContact CB-CE1 3.68Å; V198-F231 HydrophobicContact CB-CE2 4.23Å; V198-F231 HydrophobicContact CB-CG 4.33Å; V198-F231 HydrophobicContact CB-CZ 3.84Å; V198-F231 HydrophobicContact CG2-CD1 3.94Å; V198-F231 HydrophobicContact CG2-CE1 3.76Å; V198-F231 HydrophobicContact CG2-CZ 4.39Å; D229-F231 HydrophobicContact CB-CE2 3.98Å; D229-F231 HydrophobicContact CB-CZ 4.04Å
232	Y	92.5	Very high	71.8	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.1	178.9	73.5	-87.2	0	0	0	111.5	F149 N150 C151 L152 L162 F164 I181 L187 I192 S193 P234	F149-Y232 HydrophobicContact CB-CD1 4.17Å; F149-Y232 HydrophobicContact CB-CE1 4.02Å; N150-Y232 WeakPolarHBondContact O-CD1 3.4Å; N150-Y232 PolarHBondContact O-N 3.16Å; C151-Y232 HydrophobicContact CB-CE1 3.88Å; C151-Y232 HydrophobicContact CB-CE2 4.01Å; C151-Y232 WeakPolarHBondContact CB-OH 3.43Å; L152-Y232 PolarHBondContact N-O 3.46Å; L162-Y232 WeakPolarHBondContact CB-OH 3.23Å; L162-Y232 WeakPolarHBondContact O-CE1 3.43Å; L162-Y232 PolarHBondContact O-OH 3.24Å; F164-Y232 HydrophobicContact CE1-CE1 4.5Å; I181-Y232 HydrophobicContact CD1-CD1 4.03Å; I181-Y232 HydrophobicContact CD1-CD2 4.12Å; I181-Y232 HydrophobicContact CD1-CG 3.73Å; I181-Y232 HydrophobicContact CG1-CD1 4.45Å; I181-Y232 HydrophobicContact CG1-CG 4.5Å; I181-Y232 HydrophobicContact CG2-CD2 3.95Å; I181-Y232 HydrophobicContact CG2-CE1 4.45Å; I181-Y232 HydrophobicContact CG2-CE2 3.61Å; I181-Y232 HydrophobicContact CG2-CG 4.5Å; L187-Y232 HydrophobicContact CD1-CE2 4.22Å; I192-Y232 HydrophobicContact CG2-CD2 3.93Å; I192-Y232 HydrophobicContact CG2-CG 4.44Å; S193-Y232 CarbonylContact O-C 3.57Å; S193-Y232 WeakPolarHBondContact O-CA 3.32Å; S193-Y232 WeakPolarHBondContact O-CB 3.4Å; Y232-P234 HydrophobicContact CE2-CG 4.42Å
233	K	86.8	Confident	70.5	Confident	56 Å²	56	76.8 Å²	76.8	24%	0.243	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.1	174.4	178.7	170.6	-178.4	-176.1	0	108.8	L152 S193 F195 T235	L152-K233 HydrophobicContact CB-CB 4.32Å; L152-K233 HydrophobicContact CD1-CB 4.05Å; S193-K233 PolarHBondContact N-O 3.33Å; S193-K233 PolarHBondContact O-N 2.95Å; F195-K233 HydrophobicContact CE2-CB 4.29Å; K233-T235 HydrophobicContact CD-CG2 4.28Å; K233-T235 HydrophobicContact CG-CG2 3.99Å; K233-T235 PolarHBondContact O-N 2.84Å
234	P	76.9	Confident	69	Low	1 Å²	1	74.2 Å²	74.2	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125.3	165.8	-14.9	29.2	0	0	0	109.4	L187 L189 I192 Y232 L248	L187-P234 HydrophobicContact CD1-CG 3.96Å; L189-P234 HydrophobicContact CB-CB 4.35Å; L189-P234 HydrophobicContact CD1-CB 3.26Å; L189-P234 HydrophobicContact CD1-CG 4.01Å; L189-P234 HydrophobicContact CG-CB 4.44Å; I192-P234 HydrophobicContact CG1-CB 4.49Å; Y232-P234 HydrophobicContact CE2-CG 4.42Å; P234-L248 HydrophobicContact CB-CD2 4.33Å
235	T	66	Low	67	Low	38 Å²	38	71.8 Å²	71.8	23%	0.233	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.4	179.4	54.4	0	0	0	0	109.4	K191 K233	K191-T235 CarbonylContact C-O 3.56Å; K191-T235 VanDerWaalsContact CB-O 3.3Å; K191-T235 WeakPolarHBondContact CB-O 3.07Å; K191-T235 WeakPolarHBondContact CD-OG1 3.37Å; K191-T235 WeakPolarHBondContact CG-OG1 3.48Å; K191-T235 PolarHBondContact N-O 3.4Å; K191-T235 PolarHBondContact O-N 2.6Å; K233-T235 HydrophobicContact CD-CG2 4.28Å; K233-T235 HydrophobicContact CG-CG2 3.99Å; K233-T235 PolarHBondContact O-N 2.84Å
236	G	58	Low	64.9	Low	34 Å²	34	73.8 Å²	73.8	35%	0.351	39%	0.389	S	S	.	.			trans	149.5	172.7	-176.6	0	0	0	0	0	112.3	L248	G236-L248 VanDerWaalsContact C-CD1 3.42Å; G236-L248 VanDerWaalsContact CA-CD1 3.47Å; G236-L248 VanDerWaalsContact N-CD1 3.29Å; G236-L248 WeakPolarHBondContact O-CB 3.45Å; G236-L248 WeakPolarHBondContact O-CD1 3.5Å
237	Q	46.7	Very low	62.9	Low	112 Å²	112	77.8 Å²	77.8	52%	0.523	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.4	168.2	-68	173.6	-9.6	0	0	105.9	L239	Q237-L239 PolarHBondContact O-N 3.27Å
238	I	45.9	Very low	60.9	Low	75 Å²	75	71.7 Å²	71.7	39%	0.385	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.5	164.1	-58.8	175.8	0	0	0	105.1	L189 S240 T251	L189-I238 HydrophobicContact CD2-CD1 4.4Å; L189-I238 HydrophobicContact CD2-CG1 4.5Å; I238-S240 PolarHBondContact O-N 3.4Å; I238-T251 HydrophobicContact CD1-CG2 3.88Å
239	L	39.6	Very low	58.7	Low	155 Å²	155	75.7 Å²	75.7	81%	0.812	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	101.1	166.4	-74.7	166.1	0	0	0	106.7	Q237	Q237-L239 PolarHBondContact O-N 3.27Å
240	S	41.1	Very low	56.9	Low	39 Å²	39	76 Å²	76	27%	0.273	40%	0.396	S	S	.	.			trans	-68.4	147.5	165.9	128.6	0	0	0	0	108.4	I238 D242 Y244	I238-S240 PolarHBondContact O-N 3.4Å; S240-D242 PolarHBondContact O-N 2.81Å; S240-D242 PolarHBondContact OG-N 2.85Å; S240-D242 VanDerWaalsContact OG-N 3.08Å; S240-Y244 WeakPolarHBondContact CB-O 3.39Å
241	S	42.7	Very low	54.9	Low	111 Å²	111	77.4 Å²	77.4	78%	0.776	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.7	175.2	48	0	0	0	0	113.8
242	D	44.2	Very low	53	Low	105 Å²	105	76.4 Å²	76.4	56%	0.561	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	19.6	-165.8	-53.1	-10.2	0	0	0	112.3	S240 Y244	S240-D242 PolarHBondContact O-N 2.81Å; S240-D242 PolarHBondContact OG-N 2.85Å; S240-D242 VanDerWaalsContact OG-N 3.08Å; D242-Y244 HydrophobicContact CB-CD2 4.14Å; D242-Y244 WeakPolarHBondContact O-CD2 3.45Å; D242-Y244 PolarHBondContact O-N 3.42Å
243	H	44	Very low	51.3	Low	191 Å²	191	82.3 Å²	82.3	88%	0.884	43%	0.428	S	S	*	.	S	Bend	trans	62.4	13.1	-177.7	-57.8	-65	0	0	0	115.7
244	Y	38.7	Very low	50	Low	176 Å²	176	83.1 Å²	83.1	69%	0.69	44%	0.438	S	S	*	.			trans	-94.2	126.2	170.4	-68.4	-83.2	0	0	0	110.6	S240 D242 V246	S240-Y244 WeakPolarHBondContact CB-O 3.39Å; D242-Y244 HydrophobicContact CB-CD2 4.14Å; D242-Y244 WeakPolarHBondContact O-CD2 3.45Å; D242-Y244 PolarHBondContact O-N 3.42Å; Y244-V246 PolarHBondContact O-N 2.95Å
245	T	38.6	Very low	49.2	Very low	84 Å²	84	84.1 Å²	84.1	52%	0.515	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	108.8	164.6	46.9	0	0	0	0	108.3
246	V	43.1	Very low	48.9	Very low	56 Å²	56	85.6 Å²	85.6	34%	0.339	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.8	168.2	-178.4	0	0	0	0	107.1	Y244 D250	Y244-V246 PolarHBondContact O-N 2.95Å; V246-D250 HydrophobicContact CG1-CB 3.94Å
247	E	46.2	Very low	49	Very low	126 Å²	126	88.3 Å²	88.3	59%	0.589	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	135	171	-75.3	-163.1	165	0	0	109.7	F249 D250	E247-F249 PolarHBondContact O-N 2.95Å; E247-D250 PolarHBondContact O-N 3.27Å
248	L	50.9	Low	49.8	Very low	11 Å²	11	86 Å²	86	6%	0.058	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.3	-172.3	-119.5	155.5	0	0	0	115	L189 P234 G236 D250 T251	L189-L248 HydrophobicContact CD1-CD1 4.38Å; L189-L248 HydrophobicContact CD1-CD2 3.42Å; L189-L248 VanDerWaalsContact CD1-CD2 3.42Å; L189-L248 HydrophobicContact CD2-CD1 4.14Å; L189-L248 HydrophobicContact CD2-CD2 3.9Å; L189-L248 HydrophobicContact CD2-CG 4.41Å; L189-L248 HydrophobicContact CG-CD2 4.27Å; P234-L248 HydrophobicContact CB-CD2 4.33Å; G236-L248 VanDerWaalsContact C-CD1 3.42Å; G236-L248 VanDerWaalsContact CA-CD1 3.47Å; G236-L248 VanDerWaalsContact N-CD1 3.29Å; G236-L248 WeakPolarHBondContact O-CB 3.45Å; G236-L248 WeakPolarHBondContact O-CD1 3.5Å; L248-D250 PolarHBondContact O-N 3.49Å; L248-T251 WeakPolarHBondContact CA-OG1 3.47Å; L248-T251 WeakPolarHBondContact CD2-OG1 3.44Å; L248-T251 PolarHBondContact O-N 3.29Å; L248-T251 VanDerWaalsContact O-N 3.1Å; L248-T251 PolarHBondContact O-OG1 2.87Å
249	F	47.7	Very low	50.5	Low	116 Å²	116	87 Å²	87	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-57.2	-39.7	170.6	-79	-78.6	0	0	0	111.3	E247 T251 E253	E247-F249 PolarHBondContact O-N 2.95Å; F249-T251 VanDerWaalsContact C-N 3.27Å; F249-T251 PolarHBondContact O-N 3.5Å; F249-E253 PolarHBondContact O-N 3.44Å
250	D	54.4	Low	51.6	Low	83 Å²	83	83.8 Å²	83.8	44%	0.444	45%	0.45	S	S	.	.	H	α-helix	trans	-66.5	-28.5	176.8	-81	-17.9	0	0	0	111.6	V246 E247 L248 V252 E253 T254	V246-D250 HydrophobicContact CG1-CB 3.94Å; E247-D250 PolarHBondContact O-N 3.27Å; L248-D250 PolarHBondContact O-N 3.49Å; D250-V252 PolarHBondContact O-N 2.94Å; D250-E253 PolarHBondContact O-N 3.1Å; D250-T254 WeakPolarHBondContact O-CA 3.47Å; D250-T254 WeakPolarHBondContact O-CB 3.27Å; D250-T254 PolarHBondContact O-N 2.9Å; D250-T254 PolarHBondContact O-OG1 3.19Å
251	T	54.9	Low	52.6	Low	31 Å²	31	85.5 Å²	85.5	19%	0.19	46%	0.455	C	S	.	.	H	α-helix	trans	-71.6	-36.5	-171.6	-19.1	0	0	0	0	112.3	I238 L248 F249 L255	I238-T251 HydrophobicContact CD1-CG2 3.88Å; L248-T251 WeakPolarHBondContact CA-OG1 3.47Å; L248-T251 WeakPolarHBondContact CD2-OG1 3.44Å; L248-T251 PolarHBondContact O-N 3.29Å; L248-T251 VanDerWaalsContact O-N 3.1Å; L248-T251 PolarHBondContact O-OG1 2.87Å; F249-T251 VanDerWaalsContact C-N 3.27Å; F249-T251 PolarHBondContact O-N 3.5Å; T251-L255 WeakPolarHBondContact O-CB 3.37Å; T251-L255 VanDerWaalsContact O-CD1 3.32Å; T251-L255 WeakPolarHBondContact O-CD1 3.32Å; T251-L255 WeakPolarHBondContact O-CG 3.4Å; T251-L255 PolarHBondContact O-N 3.31Å
252	V	54.7	Low	53.6	Low	4 Å²	4	83.3 Å²	83.3	2%	0.024	43%	0.43	C	S	.	.	H	α-helix	trans	-75.6	-40.4	175.7	179.4	0	0	0	0	110.9	N153 L162 D250 T254 L255 Q256	N153-V252 HydrophobicContact CB-CB 3.96Å; N153-V252 HydrophobicContact CB-CG1 3.8Å; N153-V252 HydrophobicContact CB-CG2 3.84Å; L162-V252 HydrophobicContact CD1-CG1 4.47Å; D250-V252 PolarHBondContact O-N 2.94Å; V252-T254 VanDerWaalsContact C-N 3.34Å; V252-L255 PolarHBondContact O-N 3.05Å; V252-Q256 HydrophobicContact CG1-CG 4.49Å; V252-Q256 WeakPolarHBondContact O-CB 3.26Å; V252-Q256 WeakPolarHBondContact O-CG 3.47Å; V252-Q256 PolarHBondContact O-N 3.23Å
253	E	55.6	Low	54.3	Low	125 Å²	125	81.5 Å²	81.5	58%	0.584	43%	0.426	S	S	*	.	H	α-helix	trans	-64.8	-38.7	172.7	-73.7	-171.9	174.6	0	0	111.7	F249 D250 Q256 S257	F249-E253 PolarHBondContact O-N 3.44Å; D250-E253 PolarHBondContact O-N 3.1Å; E253-Q256 CarbonylContact O-C 3.57Å; E253-Q256 PolarHBondContact O-N 3.4Å; E253-S257 VanDerWaalsContact O-CB 3.28Å; E253-S257 WeakPolarHBondContact O-CB 3.35Å; E253-S257 PolarHBondContact O-N 2.81Å; E253-S257 PolarHBondContact O-OG 3.14Å
254	T	60	Low	55.4	Low	72 Å²	72	78.7 Å²	78.7	44%	0.442	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-47.2	175.3	-59	0	0	0	0	110.2	D250 V252 Q256 S257 D258	D250-T254 WeakPolarHBondContact O-CA 3.47Å; D250-T254 WeakPolarHBondContact O-CB 3.27Å; D250-T254 PolarHBondContact O-N 2.9Å; D250-T254 PolarHBondContact O-OG1 3.19Å; V252-T254 VanDerWaalsContact C-N 3.34Å; T254-Q256 PolarHBondContact O-N 3.2Å; T254-S257 WeakPolarHBondContact CA-OG 3.41Å; T254-S257 PolarHBondContact O-N 3.39Å; T254-S257 VanDerWaalsContact O-N 3.14Å; T254-S257 PolarHBondContact O-OG 2.9Å; T254-D258 WeakPolarHBondContact O-CB 3.28Å; T254-D258 PolarHBondContact O-N 3.1Å
255	L	60.6	Low	56.7	Low	22 Å²	22	71.2 Å²	71.2	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-57	-37.1	173.1	-87.4	160.1	0	0	0	112.3	L187 T251 V252 L261 L265	L187-L255 HydrophobicContact CD2-CD1 4.4Å; T251-L255 WeakPolarHBondContact O-CB 3.37Å; T251-L255 VanDerWaalsContact O-CD1 3.32Å; T251-L255 WeakPolarHBondContact O-CD1 3.32Å; T251-L255 WeakPolarHBondContact O-CG 3.4Å; T251-L255 PolarHBondContact O-N 3.31Å; V252-L255 PolarHBondContact O-N 3.05Å; L255-L261 HydrophobicContact CD2-CB 4.5Å; L255-L261 HydrophobicContact CD2-CD2 3.35Å; L255-L261 HydrophobicContact CD2-CG 3.54Å; L255-L261 HydrophobicContact CG-CD2 3.93Å; L255-L265 HydrophobicContact CD2-CD1 4.33Å
256	Q	59.1	Low	57.9	Low	70 Å²	70	69.5 Å²	69.5	33%	0.327	37%	0.372	S	S	.	.	H	α-helix	trans	-76.4	-33	177.3	-74.2	170.8	-0.4	0	0	112.6	C154 V252 E253 T254	C154-Q256 VanDerWaalsContact CB-NE2 3.31Å; V252-Q256 HydrophobicContact CG1-CG 4.49Å; V252-Q256 WeakPolarHBondContact O-CB 3.26Å; V252-Q256 WeakPolarHBondContact O-CG 3.47Å; V252-Q256 PolarHBondContact O-N 3.23Å; E253-Q256 CarbonylContact O-C 3.57Å; E253-Q256 PolarHBondContact O-N 3.4Å; T254-Q256 PolarHBondContact O-N 3.2Å
257	S	60.3	Low	59.2	Low	90 Å²	90	69.7 Å²	69.7	63%	0.629	37%	0.374	S	S	*	.	H	α-helix	trans	-82.1	-18.6	179.4	72	0	0	0	0	113.8	E253 T254 P259	E253-S257 VanDerWaalsContact O-CB 3.28Å; E253-S257 WeakPolarHBondContact O-CB 3.35Å; E253-S257 PolarHBondContact O-N 2.81Å; E253-S257 PolarHBondContact O-OG 3.14Å; T254-S257 WeakPolarHBondContact CA-OG 3.41Å; T254-S257 PolarHBondContact O-N 3.39Å; T254-S257 VanDerWaalsContact O-N 3.14Å; T254-S257 PolarHBondContact O-OG 2.9Å; S257-P259 WeakPolarHBondContact O-CD 3.35Å
258	D	64.2	Low	60.2	Low	64 Å²	64	67.9 Å²	67.9	34%	0.342	37%	0.365	S	S	.	.			trans	-99.3	94.6	175.2	-173.6	-18.5	0	0	0	110.5	T254 V260 L261 W262	T254-D258 WeakPolarHBondContact O-CB 3.28Å; T254-D258 PolarHBondContact O-N 3.1Å; D258-V260 PolarHBondContact O-N 3.27Å; D258-V260 VanDerWaalsContact O-N 3.16Å; D258-V260 WeakPolarHBondContact OD1-CA 3.14Å; D258-V260 WeakPolarHBondContact OD1-CB 3.5Å; D258-V260 PolarHBondContact OD1-N 3.01Å; D258-L261 HydrophobicContact CB-CB 3.88Å; D258-L261 PolarHBondContact O-N 3.28Å; D258-L261 PolarHBondContact OD1-N 2.96Å; D258-W262 PolarHBondContact O-N 3.04Å
259	P	60.3	Low	60.8	Low	96 Å²	96	67.9 Å²	67.9	62%	0.623	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-23.9	-179.1	25.4	-34.9	0	0	0	113.1	S257 S263	S257-P259 WeakPolarHBondContact O-CD 3.35Å; P259-S263 WeakPolarHBondContact O-CB 3.49Å; P259-S263 PolarHBondContact O-N 2.86Å
260	V	62.8	Low	61.8	Low	88 Å²	88	66.3 Å²	66.3	53%	0.533	36%	0.361	S	S	.	.	H	α-helix	trans	-74.4	-45.4	177.6	178.8	0	0	0	0	109.8	D258 W262 S263 K264	D258-V260 PolarHBondContact O-N 3.27Å; D258-V260 VanDerWaalsContact O-N 3.16Å; D258-V260 WeakPolarHBondContact OD1-CA 3.14Å; D258-V260 WeakPolarHBondContact OD1-CB 3.5Å; D258-V260 PolarHBondContact OD1-N 3.01Å; V260-W262 VanDerWaalsContact C-N 3.34Å; V260-S263 PolarHBondContact O-N 2.58Å; V260-K264 HydrophobicContact CG1-CD 4.43Å; V260-K264 WeakPolarHBondContact O-CB 3.26Å; V260-K264 WeakPolarHBondContact O-CG 3.44Å; V260-K264 PolarHBondContact O-N 2.79Å
261	L	62	Low	62.6	Low	74 Å²	74	67.1 Å²	67.1	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-41.7	177.2	-169.6	63.5	0	0	0	111	L255 D258 K264 L265	L255-L261 HydrophobicContact CD2-CB 4.5Å; L255-L261 HydrophobicContact CD2-CD2 3.35Å; L255-L261 HydrophobicContact CD2-CG 3.54Å; L255-L261 HydrophobicContact CG-CD2 3.93Å; D258-L261 HydrophobicContact CB-CB 3.88Å; D258-L261 PolarHBondContact O-N 3.28Å; D258-L261 PolarHBondContact OD1-N 2.96Å; L261-K264 PolarHBondContact O-N 3.44Å; L261-L265 WeakPolarHBondContact O-CB 3.44Å; L261-L265 PolarHBondContact O-N 2.92Å
262	W	62.5	Low	63	Low	65 Å²	65	68.7 Å²	68.7	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-49.7	173.1	-170.8	-110.4	0	0	0	112.5	P161 D258 V260 K264 L265 V266	P161-W262 HydrophobicContact CG-CH2 3.49Å; P161-W262 VanDerWaalsContact CG-CH2 3.49Å; P161-W262 HydrophobicContact CG-CZ2 3.49Å; P161-W262 VanDerWaalsContact CG-CZ2 3.49Å; P161-W262 HydrophobicContact CG-CZ3 4.13Å; D258-W262 PolarHBondContact O-N 3.04Å; V260-W262 VanDerWaalsContact C-N 3.34Å; W262-K264 VanDerWaalsContact C-N 3.31Å; W262-K264 PolarHBondContact O-N 3.38Å; W262-L265 PolarHBondContact O-N 3.27Å; W262-V266 WeakPolarHBondContact O-CG2 3.48Å; W262-V266 PolarHBondContact O-N 3.05Å
263	S	60.6	Low	63.5	Low	67 Å²	67	72.8 Å²	72.8	47%	0.469	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-40.1	178.6	176.8	0	0	0	0	112.1	P259 V260 T267	P259-S263 WeakPolarHBondContact O-CB 3.49Å; P259-S263 PolarHBondContact O-N 2.86Å; V260-S263 PolarHBondContact O-N 2.58Å; S263-T267 WeakPolarHBondContact O-CB 3.39Å; S263-T267 PolarHBondContact O-N 3.49Å; S263-T267 PolarHBondContact O-OG1 3.26Å
264	K	65.9	Low	64.3	Low	132 Å²	132	72.8 Å²	72.8	57%	0.574	38%	0.384	S	S	*	.	H	α-helix	trans	-62.6	-47.4	173.9	-77.1	176.2	179.9	177	0	111.7	V260 L261 W262 V266 T267 E268	V260-K264 HydrophobicContact CG1-CD 4.43Å; V260-K264 WeakPolarHBondContact O-CB 3.26Å; V260-K264 WeakPolarHBondContact O-CG 3.44Å; V260-K264 PolarHBondContact O-N 2.79Å; L261-K264 PolarHBondContact O-N 3.44Å; W262-K264 VanDerWaalsContact C-N 3.31Å; W262-K264 PolarHBondContact O-N 3.38Å; K264-V266 VanDerWaalsContact C-N 3.34Å; K264-V266 PolarHBondContact O-N 2.73Å; K264-T267 PolarHBondContact O-N 2.91Å; K264-E268 WeakPolarHBondContact O-CB 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.88Å
265	L	65.8	Low	64.6	Low	20 Å²	20	73.1 Å²	73.1	11%	0.105	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-44.4	179	-173.8	138.5	0	0	0	111.5	P161 T185 L255 L261 W262 N269	P161-L265 HydrophobicContact CG-CD2 4.08Å; T185-L265 WeakPolarHBondContact O-CD1 3.35Å; L255-L265 HydrophobicContact CD2-CD1 4.33Å; L261-L265 WeakPolarHBondContact O-CB 3.44Å; L261-L265 PolarHBondContact O-N 2.92Å; W262-L265 PolarHBondContact O-N 3.27Å; L265-N269 VanDerWaalsContact O-CB 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.18Å; L265-N269 PolarHBondContact O-N 3.33Å
266	V	65.4	Low	64.5	Low	47 Å²	47	73.7 Å²	73.7	29%	0.285	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-47.4	174.5	171.8	0	0	0	0	111.1	P161 W262 K264 E268 N269 I270	P161-V266 HydrophobicContact CG-CG2 4.14Å; W262-V266 WeakPolarHBondContact O-CG2 3.48Å; W262-V266 PolarHBondContact O-N 3.05Å; K264-V266 VanDerWaalsContact C-N 3.34Å; K264-V266 PolarHBondContact O-N 2.73Å; V266-E268 PolarHBondContact O-N 2.86Å; V266-N269 PolarHBondContact O-N 3.46Å; V266-I270 HydrophobicContact CG1-CD1 3.91Å; V266-I270 WeakPolarHBondContact O-CG1 3.22Å; V266-I270 PolarHBondContact O-N 3.39Å
267	T	68.5	Low	64.8	Low	60 Å²	60	73.5 Å²	73.5	37%	0.368	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-43.6	-178.5	-56.8	0	0	0	0	111.9	S263 K264 I270 K271	S263-T267 WeakPolarHBondContact O-CB 3.39Å; S263-T267 PolarHBondContact O-N 3.49Å; S263-T267 PolarHBondContact O-OG1 3.26Å; K264-T267 PolarHBondContact O-N 2.91Å; T267-I270 PolarHBondContact O-N 3.46Å; T267-K271 WeakPolarHBondContact O-CG 3.35Å; T267-K271 PolarHBondContact O-N 2.86Å
268	E	67.3	Low	65.1	Low	89 Å²	89	74.2 Å²	74.2	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-68.5	-36.3	177.7	-70.1	-59.7	128.1	0	0	111.7	L186 K264 V266 K271 F272	L186-E268 HydrophobicContact CD1-CB 3.46Å; L186-E268 VanDerWaalsContact CD1-CB 3.46Å; K264-E268 WeakPolarHBondContact O-CB 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.88Å; V266-E268 PolarHBondContact O-N 2.86Å; E268-K271 PolarHBondContact O-N 3.38Å; E268-K271 IonicContact OE1-NZ 2.76Å; E268-K271 PolarHBondContact OE1-NZ 3.47Å; E268-F272 WeakPolarHBondContact O-CB 3Å; E268-F272 PolarHBondContact O-N 2.67Å
269	N	64	Low	64.7	Low	10 Å²	10	74 Å²	74	5%	0.053	39%	0.39	C	S	.	.	H	α-helix	trans	-62.4	-44.8	172.9	-166	-21.4	0	0	0	111.5	K184 L265 V266 K271 F272 Q273	K184-N269 VanDerWaalsContact O-CG 3.28Å; K184-N269 PolarHBondContact O-ND2 2.91Å; K184-N269 PolarHBondContact O-OD1 3.26Å; L265-N269 VanDerWaalsContact O-CB 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.18Å; L265-N269 PolarHBondContact O-N 3.33Å; V266-N269 PolarHBondContact O-N 3.46Å; N269-K271 PolarHBondContact O-N 3.43Å; N269-F272 PolarHBondContact O-N 2.57Å; N269-Q273 WeakPolarHBondContact O-CG 3.27Å; N269-Q273 PolarHBondContact O-N 3.3Å; N269-Q273 PolarHBondContact OD1-NE2 3.15Å
270	I	68.3	Low	64.7	Low	84 Å²	84	73.9 Å²	73.9	43%	0.431	39%	0.388	S	S	.	.	H	α-helix	trans	-57.5	-51.5	175	-69.1	165.7	0	0	0	110.5	V266 T267 F272 Q273 E274	V266-I270 HydrophobicContact CG1-CD1 3.91Å; V266-I270 WeakPolarHBondContact O-CG1 3.22Å; V266-I270 PolarHBondContact O-N 3.39Å; T267-I270 PolarHBondContact O-N 3.46Å; I270-F272 VanDerWaalsContact C-N 3.29Å; I270-F272 PolarHBondContact O-N 2.95Å; I270-Q273 PolarHBondContact O-N 2.88Å; I270-Q273 VanDerWaalsContact O-N 3.15Å; I270-E274 HydrophobicContact CG2-CG 4.42Å; I270-E274 WeakPolarHBondContact O-CG 3.36Å; I270-E274 PolarHBondContact O-N 3.24Å
271	K	71.6	Confident	64.6	Low	99 Å²	99	75.5 Å²	75.5	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-57.7	-41.7	177.7	-70.9	175.5	-173.5	167.9	0	112.4	T267 E268 N269 E274 T275	T267-K271 WeakPolarHBondContact O-CG 3.35Å; T267-K271 PolarHBondContact O-N 2.86Å; E268-K271 PolarHBondContact O-N 3.38Å; E268-K271 IonicContact OE1-NZ 2.76Å; E268-K271 PolarHBondContact OE1-NZ 3.47Å; N269-K271 PolarHBondContact O-N 3.43Å; K271-E274 PolarHBondContact O-N 2.91Å; K271-T275 WeakPolarHBondContact O-CB 3.37Å; K271-T275 PolarHBondContact O-N 3.32Å; K271-T275 PolarHBondContact O-OG1 3.4Å
272	F	64.3	Low	64.3	Low	65 Å²	65	76.1 Å²	76.1	29%	0.285	39%	0.393	S	S	.	.	H	α-helix	trans	-65.2	-42.3	177.7	178.6	-99.1	0	0	0	111.9	H183 E268 N269 I270 T275 S276	H183-F272 HydrophobicContact CB-CE1 4.33Å; H183-F272 HydrophobicContact CB-CZ 4.04Å; E268-F272 WeakPolarHBondContact O-CB 3Å; E268-F272 PolarHBondContact O-N 2.67Å; N269-F272 PolarHBondContact O-N 2.57Å; I270-F272 VanDerWaalsContact C-N 3.29Å; I270-F272 PolarHBondContact O-N 2.95Å; F272-T275 PolarHBondContact O-N 3.49Å; F272-S276 WeakPolarHBondContact CE1-OG 3.48Å; F272-S276 WeakPolarHBondContact CZ-OG 3.33Å; F272-S276 VanDerWaalsContact O-CB 3.26Å; F272-S276 WeakPolarHBondContact O-CB 3.38Å; F272-S276 PolarHBondContact O-N 2.83Å; F272-S276 PolarHBondContact O-OG 3.42Å
273	Q	65.4	Low	63.5	Low	89 Å²	89	76 Å²	76	42%	0.416	40%	0.396	S	S	.	.	H	α-helix	trans	-64.8	-41.7	176.5	-72.2	-176.5	18.1	0	0	112.1	N269 I270 S277	N269-Q273 WeakPolarHBondContact O-CG 3.27Å; N269-Q273 PolarHBondContact O-N 3.3Å; N269-Q273 PolarHBondContact OD1-NE2 3.15Å; I270-Q273 PolarHBondContact O-N 2.88Å; I270-Q273 VanDerWaalsContact O-N 3.15Å; Q273-S277 WeakPolarHBondContact O-CB 3.48Å; Q273-S277 PolarHBondContact O-N 2.95Å; Q273-S277 PolarHBondContact O-OG 3.14Å
274	E	71.3	Confident	63.3	Low	126 Å²	126	75.3 Å²	75.3	59%	0.589	40%	0.395	S	S	*	.	H	α-helix	trans	-61.7	-47.5	174.8	-72.4	175.8	167.1	0	0	111.1	I270 K271 S277 H278	I270-E274 HydrophobicContact CG2-CG 4.42Å; I270-E274 WeakPolarHBondContact O-CG 3.36Å; I270-E274 PolarHBondContact O-N 3.24Å; K271-E274 PolarHBondContact O-N 2.91Å; E274-S277 PolarHBondContact O-N 2.76Å; E274-H278 WeakPolarHBondContact O-CB 3.48Å; E274-H278 PolarHBondContact O-N 3.31Å
275	T	65.9	Low	62.4	Low	79 Å²	79	73.6 Å²	73.6	49%	0.485	39%	0.392	S	S	.	.	H	α-helix	trans	-63.8	-44.5	178.6	-53.2	0	0	0	0	111.5	K271 F272 H278 N279	K271-T275 WeakPolarHBondContact O-CB 3.37Å; K271-T275 PolarHBondContact O-N 3.32Å; K271-T275 PolarHBondContact O-OG1 3.4Å; F272-T275 PolarHBondContact O-N 3.49Å; T275-H278 PolarHBondContact O-N 3.37Å; T275-N279 WeakPolarHBondContact O-CB 3.28Å; T275-N279 VanDerWaalsContact O-CG 3.25Å; T275-N279 PolarHBondContact O-N 3.31Å; T275-N279 PolarHBondContact O-ND2 3.22Å
276	S	58.8	Low	61.5	Low	34 Å²	34	75.4 Å²	75.4	24%	0.238	40%	0.401	C	S	.	.	H	α-helix	trans	-64.9	-43.5	178.1	-61	0	0	0	0	111.3	F272 H278 N279 V280	F272-S276 WeakPolarHBondContact CE1-OG 3.48Å; F272-S276 WeakPolarHBondContact CZ-OG 3.33Å; F272-S276 VanDerWaalsContact O-CB 3.26Å; F272-S276 WeakPolarHBondContact O-CB 3.38Å; F272-S276 PolarHBondContact O-N 2.83Å; F272-S276 PolarHBondContact O-OG 3.42Å; S276-H278 VanDerWaalsContact C-N 3.34Å; S276-H278 PolarHBondContact O-N 2.74Å; S276-N279 PolarHBondContact O-N 2.99Å; S276-V280 WeakPolarHBondContact O-CB 3.32Å; S276-V280 VanDerWaalsContact O-CG2 3.28Å; S276-V280 WeakPolarHBondContact O-CG2 3.39Å; S276-V280 PolarHBondContact O-N 3.25Å
277	S	65.3	Low	60.5	Low	66 Å²	66	79.6 Å²	79.6	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-64.2	-40.7	177.2	-60.2	0	0	0	0	111.3	Q273 E274 V280 Q281	Q273-S277 WeakPolarHBondContact O-CB 3.48Å; Q273-S277 PolarHBondContact O-N 2.95Å; Q273-S277 PolarHBondContact O-OG 3.14Å; E274-S277 PolarHBondContact O-N 2.76Å; S277-V280 PolarHBondContact O-N 3.32Å; S277-Q281 WeakPolarHBondContact O-CB 3.4Å; S277-Q281 VanDerWaalsContact O-CG 3.26Å; S277-Q281 WeakPolarHBondContact O-CG 3.41Å; S277-Q281 PolarHBondContact O-N 3.37Å
278	H	66.9	Low	59.3	Low	105 Å²	105	81.1 Å²	81.1	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-60.8	-46	174.1	-177	65.8	0	0	0	111.5	E274 T275 S276 Q281 L282	E274-H278 WeakPolarHBondContact O-CB 3.48Å; E274-H278 PolarHBondContact O-N 3.31Å; T275-H278 PolarHBondContact O-N 3.37Å; S276-H278 VanDerWaalsContact C-N 3.34Å; S276-H278 PolarHBondContact O-N 2.74Å; H278-Q281 PolarHBondContact O-N 2.91Å; H278-L282 WeakPolarHBondContact O-CG 3.16Å; H278-L282 PolarHBondContact O-N 2.91Å
279	N	57.1	Low	58.2	Low	59 Å²	59	81.2 Å²	81.2	32%	0.316	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-42	177.5	-69.7	-19.2	0	0	0	112.3	T275 S276 Q281 L282 L283	T275-N279 WeakPolarHBondContact O-CB 3.28Å; T275-N279 VanDerWaalsContact O-CG 3.25Å; T275-N279 PolarHBondContact O-N 3.31Å; T275-N279 PolarHBondContact O-ND2 3.22Å; S276-N279 PolarHBondContact O-N 2.99Å; N279-Q281 VanDerWaalsContact C-N 3.34Å; N279-Q281 PolarHBondContact O-N 3.07Å; N279-L282 WeakPolarHBondContact O-CB 3.34Å; N279-L282 PolarHBondContact O-N 2.78Å; N279-L283 WeakPolarHBondContact O-CG 3.45Å; N279-L283 PolarHBondContact O-N 3.14Å
280	V	59	Low	57.1	Low	94 Å²	94	84.9 Å²	84.9	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-64.1	-39	175.2	171.3	0	0	0	0	111.1	S276 S277 L283 A284	S276-V280 WeakPolarHBondContact O-CB 3.32Å; S276-V280 VanDerWaalsContact O-CG2 3.28Å; S276-V280 WeakPolarHBondContact O-CG2 3.39Å; S276-V280 PolarHBondContact O-N 3.25Å; S277-V280 PolarHBondContact O-N 3.32Å; V280-L283 PolarHBondContact O-N 3.18Å; V280-A284 WeakPolarHBondContact O-CB 3.47Å; V280-A284 PolarHBondContact O-N 3.05Å
281	Q	61.1	Low	55.5	Low	121 Å²	121	86 Å²	86	57%	0.565	47%	0.471	S	S	*	.	H	α-helix	trans	-64.9	-41.5	173.8	-76.7	175.1	7.1	0	0	112	S277 H278 N279 L283 A284 N285	S277-Q281 WeakPolarHBondContact O-CB 3.4Å; S277-Q281 VanDerWaalsContact O-CG 3.26Å; S277-Q281 WeakPolarHBondContact O-CG 3.41Å; S277-Q281 PolarHBondContact O-N 3.37Å; H278-Q281 PolarHBondContact O-N 2.91Å; N279-Q281 VanDerWaalsContact C-N 3.34Å; N279-Q281 PolarHBondContact O-N 3.07Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.49Å; Q281-A284 PolarHBondContact O-N 3.39Å; Q281-N285 WeakPolarHBondContact O-CB 3.34Å; Q281-N285 PolarHBondContact O-N 2.89Å; Q281-N285 PolarHBondContact O-ND2 3.23Å
282	L	54.6	Low	53.9	Low	87 Å²	87	85.2 Å²	85.2	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-43.5	173.4	-73.7	170.6	0	0	0	111	H278 N279 N285 I286	H278-L282 WeakPolarHBondContact O-CG 3.16Å; H278-L282 PolarHBondContact O-N 2.91Å; N279-L282 WeakPolarHBondContact O-CB 3.34Å; N279-L282 PolarHBondContact O-N 2.78Å; L282-N285 PolarHBondContact O-N 2.93Å; L282-I286 WeakPolarHBondContact O-CG1 3.36Å; L282-I286 PolarHBondContact O-N 3.16Å
283	L	47	Very low	52.4	Low	62 Å²	62	89.2 Å²	89.2	33%	0.325	49%	0.494	S	S	.	.	H	α-helix	trans	-67	-42.2	176.4	-68.5	171.3	0	0	0	112.7	T66 N279 V280 Q281 N285 I286	T66-L283 HydrophobicContact CG2-CD1 3.95Å; N279-L283 WeakPolarHBondContact O-CG 3.45Å; N279-L283 PolarHBondContact O-N 3.14Å; V280-L283 PolarHBondContact O-N 3.18Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.49Å; L283-N285 VanDerWaalsContact C-N 3.29Å; L283-N285 PolarHBondContact O-N 2.94Å; L283-I286 HydrophobicContact CD2-CD1 4.34Å; L283-I286 WeakPolarHBondContact O-CB 3.34Å; L283-I286 PolarHBondContact O-N 3.46Å
284	A	55.1	Low	51	Low	54 Å²	54	93.8 Å²	93.8	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-65.4	-32.4	177.4	0	0	0	0	0	112.6	V280 Q281 I286 D287 S288	V280-A284 WeakPolarHBondContact O-CB 3.47Å; V280-A284 PolarHBondContact O-N 3.05Å; Q281-A284 PolarHBondContact O-N 3.39Å; A284-I286 VanDerWaalsContact C-N 3.3Å; A284-I286 PolarHBondContact O-N 2.97Å; A284-D287 PolarHBondContact O-N 3.39Å; A284-S288 PolarHBondContact O-N 2.95Å
285	N	48.4	Very low	50	Low	96 Å²	96	92.2 Å²	92.2	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-71.7	-24.8	177	-72	-23.7	0	0	0	112.9	Q281 L282 L283 S288 S289	Q281-N285 WeakPolarHBondContact O-CB 3.34Å; Q281-N285 PolarHBondContact O-N 2.89Å; Q281-N285 PolarHBondContact O-ND2 3.23Å; L282-N285 PolarHBondContact O-N 2.93Å; L283-N285 VanDerWaalsContact C-N 3.29Å; L283-N285 PolarHBondContact O-N 2.94Å; N285-S288 WeakPolarHBondContact CA-OG 3.35Å; N285-S288 PolarHBondContact O-N 3.41Å; N285-S288 PolarHBondContact O-OG 2.93Å; N285-S288 VanDerWaalsContact O-OG 3.09Å; N285-S289 WeakPolarHBondContact O-CB 3.49Å; N285-S289 PolarHBondContact O-N 2.94Å; N285-S289 VanDerWaalsContact O-N 3.16Å; N285-S289 PolarHBondContact O-OG 3.05Å
286	I	46.2	Very low	49.1	Very low	57 Å²	57	92.9 Å²	92.9	29%	0.292	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-41.8	171.6	-65.6	168.8	0	0	0	109.6	L282 L283 A284 S288 I290	L282-I286 WeakPolarHBondContact O-CG1 3.36Å; L282-I286 PolarHBondContact O-N 3.16Å; L283-I286 HydrophobicContact CD2-CD1 4.34Å; L283-I286 WeakPolarHBondContact O-CB 3.34Å; L283-I286 PolarHBondContact O-N 3.46Å; A284-I286 VanDerWaalsContact C-N 3.3Å; A284-I286 PolarHBondContact O-N 2.97Å; I286-S288 VanDerWaalsContact C-N 3.35Å; I286-S288 PolarHBondContact O-N 3.18Å; I286-I290 HydrophobicContact CG2-CD1 4.2Å; I286-I290 PolarHBondContact O-N 2.97Å
287	D	45.5	Very low	48.6	Very low	136 Å²	136	96.2 Å²	96.2	73%	0.727	54%	0.543	S	S	*	.	H	α-helix	trans	-67.3	-30.9	176.2	-89.7	-19.7	0	0	0	113.1	A284	A284-D287 PolarHBondContact O-N 3.39Å
288	S	43.5	Very low	47.6	Very low	92 Å²	92	97.9 Å²	97.9	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-83.2	-22.4	-180	65.9	0	0	0	0	114.8	A284 N285 I286	A284-S288 PolarHBondContact O-N 2.95Å; N285-S288 WeakPolarHBondContact CA-OG 3.35Å; N285-S288 PolarHBondContact O-N 3.41Å; N285-S288 PolarHBondContact O-OG 2.93Å; N285-S288 VanDerWaalsContact O-OG 3.09Å; I286-S288 VanDerWaalsContact C-N 3.35Å; I286-S288 PolarHBondContact O-N 3.18Å
289	S	42.4	Very low	46.4	Very low	90 Å²	90	97.5 Å²	97.5	63%	0.629	55%	0.552	S	S	*	*	H	α-helix	trans	-103.3	-10.8	-174.7	58.9	0	0	0	0	113.9	N285	N285-S289 WeakPolarHBondContact O-CB 3.49Å; N285-S289 PolarHBondContact O-N 2.94Å; N285-S289 VanDerWaalsContact O-N 3.16Å; N285-S289 PolarHBondContact O-OG 3.05Å
290	I	41.7	Very low	45.7	Very low	88 Å²	88	100.1 Å²	100.1	45%	0.451	57%	0.568	S	S	.	*			trans	-126.4	82	-179.5	-58.8	166.9	0	0	0	107.6	I286 P292	I286-I290 HydrophobicContact CG2-CD1 4.2Å; I286-I290 PolarHBondContact O-N 2.97Å; I290-P292 HydrophobicContact CG2-CB 4.42Å; I290-P292 HydrophobicContact CG2-CG 3.81Å; I290-P292 WeakPolarHBondContact O-CD 3.13Å
291	N	35.2	Very low	44.8	Very low	107 Å²	107	100.5 Å²	100.5	57%	0.572	57%	0.568	S	S	*	*			trans	-97.3	86.3	153.4	-166.6	7.9	0	0	0	108.2	F293	N291-F293 PolarHBondContact O-N 2.72Å; N291-F293 WeakPolarHBondContact OD1-CB 3.15Å; N291-F293 PolarHBondContact OD1-N 2.89Å
292	P	36.7	Very low	43.5	Very low	83 Å²	83	98.9 Å²	98.9	54%	0.539	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	19.4	173.6	36.7	-32.5	0	0	0	110.5	I290	I290-P292 HydrophobicContact CG2-CB 4.42Å; I290-P292 HydrophobicContact CG2-CG 3.81Å; I290-P292 WeakPolarHBondContact O-CD 3.13Å
293	F	33.4	Very low	42.6	Very low	149 Å²	149	99.9 Å²	99.9	65%	0.654	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	24.4	-172.8	-60.3	-69.7	0	0	0	113.8	K92 N291	K92-F293 HydrophobicContact CB-CZ 4.49Å; K92-F293 HydrophobicContact CD-CZ 4.35Å; N291-F293 PolarHBondContact O-N 2.72Å; N291-F293 WeakPolarHBondContact OD1-CB 3.15Å; N291-F293 PolarHBondContact OD1-N 2.89Å
294	T	35.8	Very low	42.2	Very low	185 Å²	185	103.4 Å²	103.4	100%	1.135	60%	0.6	S	S	*	*			trans	-106.2	0	147.9	46.4	0	0	0	0	110

Retrieved 294 of 294 residues in 434.4 ms (Link to these results)

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