A0A077ZLL7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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	38.1	Very low	40.5	Very low	255 Å²	255	158.6 Å²	158.6	100%	1.256	86%	0.861	S	S	*	*				0	149.3	0	-81.2	-172.7	173.5	0	0	109.7
2	G	48.9	Very low	40.3	Very low	76 Å²	76	153.7 Å²	153.7	78%	0.784	86%	0.858	S	S	*	*			trans	90.8	113.6	170.8	0	0	0	0	0	113.6
3	K	39.7	Very low	40.5	Very low	200 Å²	200	149.7 Å²	149.7	87%	0.87	86%	0.857	S	S	*	*			cis	59.9	124.7	42.6	-79.2	-162.4	-179.3	-177.3	0	115.4
4	F	46	Very low	40.6	Very low	223 Å²	223	145.6 Å²	145.6	98%	0.978	85%	0.85	S	S	*	*			trans	146.2	137.6	153.7	-85.3	-69.7	0	0	0	107.9
5	G	38.9	Very low	40.8	Very low	64 Å²	64	142.8 Å²	142.8	66%	0.66	85%	0.85	S	S	*	*			cis	179.6	140	3	0	0	0	0	0	106.7
6	K	37.8	Very low	40.6	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	84%	0.838	S	S	*	*				83.9	138.9	103	-99.2	-170.8	-177	-179.6	0	117.7
7	Q	40.5	Very low	40.6	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	84%	0.84	S	S	*	*			trans	81	130.5	160.2	-64	169.6	0.6	0	0	116.6
8	G	33.8	Very low	40.8	Very low	66 Å²	66	145.1 Å²	145.1	68%	0.68	84%	0.844	S	S	*	*			cis	123	133	15.8	0	0	0	0	0	109.9
9	K	41.2	Very low	40.8	Very low	203 Å²	203	140.9 Å²	140.9	88%	0.883	84%	0.835	S	S	*	*			trans	127.9	95.6	167.4	-73.3	168.4	-176.8	-176.3	0	111.2
10	S	40.1	Very low	41	Very low	102 Å²	102	139 Å²	139	71%	0.713	83%	0.829	S	S	*	*				63.2	110.4	84.5	70.7	0	0	0	0	114
11	N	40.2	Very low	41.2	Very low	173 Å²	173	143.7 Å²	143.7	93%	0.925	83%	0.832	S	S	*	*			trans	-146.1	137.3	140.7	-104.8	-17.2	0	0	0	110.6	A13	N11-A13 PolarHBondContact O-N 3.38Å
12	A	38.8	Very low	41.4	Very low	99 Å²	99	139.6 Å²	139.6	82%	0.818	81%	0.81	S	S	*	*			trans	-69.7	116.2	-163.6	0	0	0	0	0	111.8	A14	A12-A14 PolarHBondContact O-N 3.21Å
13	A	42.7	Very low	41.1	Very low	102 Å²	102	145.3 Å²	145.3	84%	0.843	81%	0.814	S	S	*	*			trans	-70.5	111.3	159.1	0	0	0	0	0	107.6	N11 A15	N11-A13 PolarHBondContact O-N 3.38Å; A13-A15 PolarHBondContact O-N 3.47Å
14	A	41.2	Very low	40.9	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	81%	0.813	S	S	*	*			trans	-14.7	120	171.5	0	0	0	0	0	114.8	A12 G16	A12-A14 PolarHBondContact O-N 3.21Å; A14-G16 PolarHBondContact O-N 3.44Å
15	A	43.5	Very low	40.2	Very low	104 Å²	104	142.8 Å²	142.8	86%	0.86	81%	0.805	S	S	*	*			trans	-58.2	90.3	165.4	0	0	0	0	0	109.1	A13 N17	A13-A15 PolarHBondContact O-N 3.47Å; A15-N17 PolarHBondContact O-N 3.09Å; A15-N17 VanDerWaalsContact O-N 3.16Å
16	G	37.6	Very low	39.8	Very low	63 Å²	63	145.2 Å²	145.2	65%	0.649	81%	0.809	S	S	*	*			trans	-55.8	119.5	169.6	0	0	0	0	0	108.4	A14 R18	A14-G16 PolarHBondContact O-N 3.44Å; G16-R18 PolarHBondContact O-N 3.16Å
17	N	40.5	Very low	39.3	Very low	165 Å²	165	141.4 Å²	141.4	88%	0.882	80%	0.802	S	S	*	*			trans	-30.8	103.8	169.9	-96.1	-24.3	0	0	0	110.2	A15 G19	A15-N17 PolarHBondContact O-N 3.09Å; A15-N17 VanDerWaalsContact O-N 3.16Å; N17-G19 PolarHBondContact O-N 2.78Å
18	R	43.9	Very low	38.8	Very low	242 Å²	242	137.6 Å²	137.6	91%	0.913	79%	0.792	S	S	*	*			trans	-62.3	93.2	161.9	-73.3	179.6	-179.2	161.3	0.7	104.7	G16 S20	G16-R18 PolarHBondContact O-N 3.16Å; R18-S20 PolarHBondContact O-N 2.66Å
19	G	40.8	Very low	38.7	Very low	65 Å²	65	135.8 Å²	135.8	67%	0.67	77%	0.766	S	S	*	*			trans	-44.3	112.1	174.1	0	0	0	0	0	107	N17 R21	N17-G19 PolarHBondContact O-N 2.78Å; G19-R21 VanDerWaalsContact C-N 3.35Å; G19-R21 PolarHBondContact O-N 2.98Å
20	S	46.5	Very low	38.2	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	75%	0.754	S	S	*	*			trans	-50	108.9	170.8	50.1	0	0	0	0	105.3	R18 Q22	R18-S20 PolarHBondContact O-N 2.66Å; S20-Q22 PolarHBondContact O-N 3.46Å
21	R	43.3	Very low	38.2	Very low	238 Å²	238	127.6 Å²	127.6	90%	0.898	72%	0.72	S	S	*	*			trans	-62.8	93.4	174.7	-159	177.9	-168.7	175	3.5	104	G19 K23	G19-R21 VanDerWaalsContact C-N 3.35Å; G19-R21 PolarHBondContact O-N 2.98Å; R21-K23 VanDerWaalsContact C-N 3.34Å; R21-K23 PolarHBondContact O-N 2.93Å
22	Q	43.3	Very low	38.1	Very low	170 Å²	170	122.7 Å²	122.7	79%	0.794	70%	0.696	S	S	*	*			trans	-52.7	108.3	175.6	-79.3	-177.6	-26.9	0	0	104.5	S20 K24	S20-Q22 PolarHBondContact O-N 3.46Å; Q22-K24 PolarHBondContact O-N 3.05Å
23	K	42.2	Very low	38.3	Very low	195 Å²	195	118 Å²	118	85%	0.848	66%	0.657	S	S	*	*			trans	-61.9	101.2	169.4	-75.3	-177.8	177.8	178.8	0	102.9	R21 E25	R21-K23 VanDerWaalsContact C-N 3.34Å; R21-K23 PolarHBondContact O-N 2.93Å; K23-E25 PolarHBondContact O-N 3.39Å
24	K	35.1	Very low	38.4	Very low	199 Å²	199	118.3 Å²	118.3	87%	0.865	65%	0.645	S	S	*	*			trans	-51.4	114.1	170.9	-73.1	-174.4	175.5	-174.3	0	105.2	Q22	Q22-K24 PolarHBondContact O-N 3.05Å
25	E	31.2	Very low	38.5	Very low	171 Å²	171	119 Å²	119	80%	0.799	63%	0.632	S	S	*	*			trans	-55.4	136.3	174.2	-70.7	-174.9	157	0	0	107.4	K23 V27	K23-E25 PolarHBondContact O-N 3.39Å; E25-V27 PolarHBondContact O-N 3.21Å
26	P	31.3	Very low	38.8	Very low	116 Å²	116	117.6 Å²	117.6	75%	0.753	63%	0.628	S	S	*	*			trans	-59.7	115.3	178.4	24.5	-31.5	0	0	0	108	T28	P26-T28 PolarHBondContact O-N 2.98Å
27	V	28.1	Very low	39.5	Very low	116 Å²	116	124.9 Å²	124.9	70%	0.703	64%	0.642	S	S	*	*			trans	-61.7	110.7	172.4	179.3	0	0	0	0	106.4	E25 I29	E25-V27 PolarHBondContact O-N 3.21Å; V27-I29 HydrophobicContact CG1-CG1 3.92Å; V27-I29 PolarHBondContact O-N 3.23Å
28	T	29.6	Very low	39.7	Very low	107 Å²	107	121 Å²	121	66%	0.656	62%	0.621	S	S	*	*			trans	-78.6	100.1	173.3	-52.6	0	0	0	0	106.2	P26 E30	P26-T28 PolarHBondContact O-N 2.98Å; T28-E30 HydrophobicContact CG2-CG 4.43Å
29	I	32.4	Very low	39.8	Very low	27 Å²	27	115.3 Å²	115.3	14%	0.138	62%	0.616	C	S	.	*			trans	-82.1	119.2	174	-52.5	176	0	0	0	106.8	V27 H31 G45 A46 K91 V93	V27-I29 HydrophobicContact CG1-CG1 3.92Å; V27-I29 PolarHBondContact O-N 3.23Å; I29-H31 WeakPolarHBondContact CG2-CE1 3.24Å; I29-H31 VanDerWaalsContact CG2-NE2 3.32Å; I29-H31 WeakPolarHBondContact CG2-NE2 3.36Å; I29-G45 WeakPolarHBondContact O-CA 3.45Å; I29-A46 PolarHBondContact O-N 3.16Å; I29-K91 HydrophobicContact CD1-CB 4.2Å; I29-V93 HydrophobicContact CD1-CB 4.47Å; I29-V93 HydrophobicContact CD1-CG2 4.01Å
30	E	30.4	Very low	39.9	Very low	133 Å²	133	121.4 Å²	121.4	62%	0.621	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.4	114.9	179.7	-83.4	-173.5	-176	0	0	108	T28 V43	T28-E30 HydrophobicContact CG2-CG 4.43Å; E30-V43 HydrophobicContact CB-CG1 3.39Å; E30-V43 HydrophobicContact CG-CG1 3.54Å
31	H	39.5	Very low	39.6	Very low	0 Å²	0	120.4 Å²	120.4	0%	0	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	127.4	-175.2	-63.8	-77.5	0	0	0	110.6	I29 V33 V43 L44 D88 V93 Q133 Y135	I29-H31 WeakPolarHBondContact CG2-CE1 3.24Å; I29-H31 VanDerWaalsContact CG2-NE2 3.32Å; I29-H31 WeakPolarHBondContact CG2-NE2 3.36Å; H31-V33 PolarHBondContact O-N 3.32Å; H31-V43 CarbonylContact O-C 3.41Å; H31-V43 VanDerWaalsContact O-CA 3.22Å; H31-V43 WeakPolarHBondContact O-CA 3.41Å; H31-L44 HydrophobicContact CB-CB 4.33Å; H31-L44 VanDerWaalsContact CB-O 3.32Å; H31-L44 WeakPolarHBondContact CB-O 3.49Å; H31-L44 PolarHBondContact CD2-O 3.33Å; H31-L44 VanDerWaalsContact CD2-O 3.29Å; H31-L44 PolarHBondContact N-O 2.92Å; H31-L44 PolarHBondContact O-N 3.4Å; H31-D88 IonicContact CE1-OD2 3.36Å; H31-D88 PolarHBondContact CE1-OD2 2.76Å; H31-D88 VanDerWaalsContact CE1-OD2 3.27Å; H31-D88 IonicContact ND1-OD2 3.9Å; H31-V93 VanDerWaalsContact NE2-CG1 3.31Å; H31-V93 WeakPolarHBondContact NE2-CG1 3.43Å; H31-Q133 PolarHBondContact ND1-OE1 2.98Å; H31-Q133 VanDerWaalsContact ND1-OE1 3.16Å; H31-Y135 WeakPolarHBondContact CB-OH 3.49Å; H31-Y135 AromaticContact CE1-CE1 3.61Å; H31-Y135 VanDerWaalsContact CG-OH 3.24Å; H31-Y135 AromaticContact ND1-CE1 3.54Å; H31-Y135 AromaticContact ND1-CZ 3.63Å; H31-Y135 PolarHBondContact ND1-OH 3.06Å
32	V	37.9	Very low	39.6	Very low	70 Å²	70	110.3 Å²	110.3	42%	0.424	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	111.6	174	165.2	0	0	0	0	108.9	P41 V43	V32-P41 HydrophobicContact CB-CB 4.22Å; V32-P41 HydrophobicContact CG1-CB 3.18Å; V32-P41 HydrophobicContact CG1-CG 4.44Å; V32-P41 HydrophobicContact CG2-CB 4.18Å; V32-V43 HydrophobicContact CG2-CG2 4.29Å
33	V	43.2	Very low	39.6	Very low	2 Å²	2	105.6 Å²	105.6	1%	0.012	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	132.9	172.3	-178.5	0	0	0	0	109.5	H31 E35 A42 L44 A130	H31-V33 PolarHBondContact O-N 3.32Å; V33-E35 HydrophobicContact CG1-CG 4Å; V33-E35 PolarHBondContact O-N 3.23Å; V33-A42 PolarHBondContact N-O 2.78Å; V33-A42 PolarHBondContact O-N 3.07Å; V33-L44 HydrophobicContact CB-CD1 4.06Å; V33-L44 HydrophobicContact CB-CG 4.24Å; V33-L44 HydrophobicContact CG2-CB 4.42Å; V33-L44 HydrophobicContact CG2-CD1 3.37Å; V33-L44 HydrophobicContact CG2-CG 3.74Å; V33-A130 HydrophobicContact CG2-CB 4.47Å
34	D	45.2	Very low	39.7	Very low	108 Å²	108	96.9 Å²	96.9	58%	0.578	52%	0.523	S	S	*	.			trans	-87.4	87.7	168.1	-161.6	-9.8	0	0	0	107.5	G36	D34-G36 VanDerWaalsContact C-N 3.29Å; D34-G36 PolarHBondContact O-N 3.4Å; D34-G36 VanDerWaalsContact O-N 3.11Å
35	E	43.8	Very low	40.2	Very low	106 Å²	106	88.5 Å²	88.5	50%	0.495	49%	0.493	S	S	.	.			trans	-76.7	89.1	168.9	-67.6	-174.7	179	0	0	105.6	V33 F37 D38 A42	V33-E35 HydrophobicContact CG1-CG 4Å; V33-E35 PolarHBondContact O-N 3.23Å; E35-F37 PolarHBondContact O-N 3.37Å; E35-D38 PolarHBondContact O-N 3.16Å; E35-A42 HydrophobicContact CG-CB 4.41Å
36	G	49.3	Very low	41.1	Very low	75 Å²	75	81.6 Å²	81.6	77%	0.773	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	13.6	-167.8	0	0	0	0	0	119.3	D34	D34-G36 VanDerWaalsContact C-N 3.29Å; D34-G36 PolarHBondContact O-N 3.4Å; D34-G36 VanDerWaalsContact O-N 3.11Å
37	F	51.9	Low	41.9	Very low	216 Å²	216	81.7 Å²	81.7	95%	0.947	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-25.8	163.2	-98.4	-91.1	0	0	0	114.5	E35	E35-F37 PolarHBondContact O-N 3.37Å
38	D	44	Very low	43.1	Very low	82 Å²	82	82 Å²	82	44%	0.439	45%	0.451	S	S	.	.	S	Bend	trans	-123.8	122.1	179.7	-165.3	-21.7	0	0	0	109.4	E35 R40	E35-D38 PolarHBondContact O-N 3.16Å; D38-R40 PolarHBondContact O-N 2.99Å; D38-R40 PolarHBondContact OD1-N 3.42Å
39	P	46.2	Very low	44.4	Very low	124 Å²	124	76.9 Å²	76.9	81%	0.805	42%	0.419	S	S	*	.	S	Bend	trans	-66.8	0.1	-179.1	27.8	-36.8	0	0	0	114.1
40	R	44.1	Very low	45.5	Very low	192 Å²	192	76.9 Å²	76.9	73%	0.725	42%	0.419	S	S	*	.	S	Bend	trans	-88.1	124.2	176.7	-66.1	179	-179.5	-175.8	2	110	D38 A42	D38-R40 PolarHBondContact O-N 2.99Å; D38-R40 PolarHBondContact OD1-N 3.42Å; R40-A42 PolarHBondContact O-N 2.89Å
41	P	40.5	Very low	46.8	Very low	82 Å²	82	75.3 Å²	75.3	53%	0.532	42%	0.419	S	S	.	.			trans	-56.5	114.4	172.4	21.4	-31.1	0	0	0	110.1	V32 V43	V32-P41 HydrophobicContact CB-CB 4.22Å; V32-P41 HydrophobicContact CG1-CB 3.18Å; V32-P41 HydrophobicContact CG1-CG 4.44Å; V32-P41 HydrophobicContact CG2-CB 4.18Å; P41-V43 PolarHBondContact O-N 3.25Å
42	A	43.6	Very low	47.7	Very low	26 Å²	26	76.1 Å²	76.1	22%	0.215	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	110	178	0	0	0	0	0	108.3	V33 E35 R40 L44	V33-A42 PolarHBondContact N-O 2.78Å; V33-A42 PolarHBondContact O-N 3.07Å; E35-A42 HydrophobicContact CG-CB 4.41Å; R40-A42 PolarHBondContact O-N 2.89Å; A42-L44 HydrophobicContact CB-CD2 4.39Å; A42-L44 PolarHBondContact O-N 2.95Å; A42-L44 VanDerWaalsContact O-N 3.11Å
43	V	41.7	Very low	48.9	Very low	71 Å²	71	76.6 Å²	76.6	43%	0.43	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	99.6	173.1	-178.7	0	0	0	0	109.3	E30 H31 V32 P41	E30-V43 HydrophobicContact CB-CG1 3.39Å; E30-V43 HydrophobicContact CG-CG1 3.54Å; H31-V43 CarbonylContact O-C 3.41Å; H31-V43 VanDerWaalsContact O-CA 3.22Å; H31-V43 WeakPolarHBondContact O-CA 3.41Å; V32-V43 HydrophobicContact CG2-CG2 4.29Å; P41-V43 PolarHBondContact O-N 3.25Å
44	L	45.7	Very low	49.8	Very low	12 Å²	12	79.5 Å²	79.5	6%	0.063	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.3	172.6	-56.9	-169.6	0	0	0	109.3	H31 V33 A42 K48	H31-L44 HydrophobicContact CB-CB 4.33Å; H31-L44 VanDerWaalsContact CB-O 3.32Å; H31-L44 WeakPolarHBondContact CB-O 3.49Å; H31-L44 PolarHBondContact CD2-O 3.33Å; H31-L44 VanDerWaalsContact CD2-O 3.29Å; H31-L44 PolarHBondContact N-O 2.92Å; H31-L44 PolarHBondContact O-N 3.4Å; V33-L44 HydrophobicContact CB-CD1 4.06Å; V33-L44 HydrophobicContact CB-CG 4.24Å; V33-L44 HydrophobicContact CG2-CB 4.42Å; V33-L44 HydrophobicContact CG2-CD1 3.37Å; V33-L44 HydrophobicContact CG2-CG 3.74Å; A42-L44 HydrophobicContact CB-CD2 4.39Å; A42-L44 PolarHBondContact O-N 2.95Å; A42-L44 VanDerWaalsContact O-N 3.11Å; L44-K48 HydrophobicContact CB-CB 3.88Å; L44-K48 HydrophobicContact CD2-CB 3.86Å; L44-K48 HydrophobicContact CD2-CD 3.76Å; L44-K48 HydrophobicContact CD2-CG 4.49Å; L44-K48 HydrophobicContact CG-CB 4.3Å
45	G	44.3	Very low	50.6	Low	23 Å²	23	74.4 Å²	74.4	24%	0.237	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	160.8	164.2	0	0	0	0	0	111.2	I29 N47 K48 L49	I29-G45 WeakPolarHBondContact O-CA 3.45Å; G45-N47 CarbonylContact O-C 3.56Å; G45-N47 PolarHBondContact O-N 3.04Å; G45-K48 PolarHBondContact O-N 3.47Å; G45-L49 PolarHBondContact O-N 3.09Å; G45-L49 VanDerWaalsContact O-N 3.09Å
46	A	50.6	Low	51.5	Low	25 Å²	25	71.4 Å²	71.4	21%	0.207	41%	0.405	C	S	.	.	H	α-helix	trans	-44.2	-29.1	176	0	0	0	0	0	115.2	I29 V93 K94	I29-A46 PolarHBondContact O-N 3.16Å; A46-V93 HydrophobicContact CB-CG1 3.52Å; A46-K94 WeakPolarHBondContact O-CD 3.41Å
47	N	48.2	Very low	52.3	Low	119 Å²	119	73.1 Å²	73.1	64%	0.636	39%	0.391	S	S	*	.	H	α-helix	trans	-70	-43.2	174.4	-73.8	-27.2	0	0	0	113.8	G45 K94	G45-N47 CarbonylContact O-C 3.56Å; G45-N47 PolarHBondContact O-N 3.04Å; N47-K94 PolarHBondContact OD1-NZ 3.2Å
48	K	53.5	Low	52.9	Low	122 Å²	122	63.4 Å²	63.4	53%	0.53	35%	0.349	S	S	.	.	H	α-helix	trans	-76.8	-25.5	178.8	-68.3	-171.1	178.2	-178	0	112.6	L44 G45 L50 T51 H52	L44-K48 HydrophobicContact CB-CB 3.88Å; L44-K48 HydrophobicContact CD2-CB 3.86Å; L44-K48 HydrophobicContact CD2-CD 3.76Å; L44-K48 HydrophobicContact CD2-CG 4.49Å; L44-K48 HydrophobicContact CG-CB 4.3Å; G45-K48 PolarHBondContact O-N 3.47Å; K48-L50 PolarHBondContact O-N 2.97Å; K48-T51 WeakPolarHBondContact CA-OG1 3.5Å; K48-T51 CarbonylContact O-C 3.48Å; K48-T51 PolarHBondContact O-N 3.44Å; K48-T51 PolarHBondContact O-OG1 3.43Å; K48-H52 PolarHBondContact O-N 2.71Å; K48-H52 VanDerWaalsContact O-N 3.14Å
49	L	57.4	Low	53.8	Low	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.8	-40.1	175	-172.6	69.5	0	0	0	111.5	G45 T51 H52 I55 V86 V93 Y135	G45-L49 PolarHBondContact O-N 3.09Å; G45-L49 VanDerWaalsContact O-N 3.09Å; L49-T51 VanDerWaalsContact C-N 3.28Å; L49-T51 PolarHBondContact O-N 2.91Å; L49-H52 WeakPolarHBondContact O-CB 3.3Å; L49-H52 PolarHBondContact O-N 3.38Å; L49-H52 VanDerWaalsContact O-N 3.09Å; L49-I55 HydrophobicContact CD1-CD1 3.42Å; L49-I55 VanDerWaalsContact CD1-CD1 3.42Å; L49-I55 HydrophobicContact CD2-CD1 4.2Å; L49-I55 HydrophobicContact CG-CD1 3.44Å; L49-I55 VanDerWaalsContact CG-CD1 3.44Å; L49-I55 WeakPolarHBondContact O-CD1 3.33Å; L49-V86 HydrophobicContact CD2-CG1 3.89Å; L49-V93 HydrophobicContact CD2-CB 4.25Å; L49-V93 HydrophobicContact CD2-CG1 3.8Å; L49-V93 HydrophobicContact CD2-CG2 4.47Å; L49-Y135 HydrophobicContact CD1-CD1 4.39Å; L49-Y135 HydrophobicContact CD1-CE1 3.73Å; L49-Y135 HydrophobicContact CD1-CE2 4.27Å; L49-Y135 HydrophobicContact CD2-CD1 3.91Å; L49-Y135 HydrophobicContact CD2-CE1 3.57Å; L49-Y135 HydrophobicContact CG-CE1 4.3Å
50	L	55.3	Low	54.6	Low	26 Å²	26	63.8 Å²	63.8	14%	0.136	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.6	176.4	-64	-171.2	0	0	0	114.8	K48 H52 I55 V56 V86 K94 I96	K48-L50 PolarHBondContact O-N 2.97Å; L50-H52 VanDerWaalsContact C-N 3.3Å; L50-I55 HydrophobicContact CD2-CG2 4.21Å; L50-V56 WeakPolarHBondContact O-CG2 3.01Å; L50-V86 HydrophobicContact CD2-CG2 3.87Å; L50-K94 HydrophobicContact CD1-CB 4.21Å; L50-K94 HydrophobicContact CD1-CD 3.33Å; L50-K94 HydrophobicContact CD1-CG 3.71Å; L50-K94 HydrophobicContact CD2-CB 4.4Å; L50-K94 HydrophobicContact CG-CB 4.34Å; L50-K94 HydrophobicContact CG-CD 3.82Å; L50-K94 HydrophobicContact CG-CG 4.31Å; L50-I96 HydrophobicContact CB-CD1 4.38Å; L50-I96 HydrophobicContact CD1-CD1 3.64Å; L50-I96 HydrophobicContact CD1-CG1 3.38Å; L50-I96 HydrophobicContact CD2-CD1 3.31Å; L50-I96 HydrophobicContact CD2-CG1 3.89Å; L50-I96 HydrophobicContact CG-CD1 3.95Å; L50-I96 HydrophobicContact CG-CG1 4.21Å
51	T	56.5	Low	55.6	Low	100 Å²	100	61.5 Å²	61.5	61%	0.613	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.8	171.2	56.4	0	0	0	0	111.7	K48 L49	K48-T51 WeakPolarHBondContact CA-OG1 3.5Å; K48-T51 CarbonylContact O-C 3.48Å; K48-T51 PolarHBondContact O-N 3.44Å; K48-T51 PolarHBondContact O-OG1 3.43Å; L49-T51 VanDerWaalsContact C-N 3.28Å; L49-T51 PolarHBondContact O-N 2.91Å
52	H	58.9	Low	56.8	Low	18 Å²	18	57.9 Å²	57.9	8%	0.083	30%	0.298	C	S	.	.	S	Bend	trans	-60.8	128	176.6	-168.1	-88.6	0	0	0	109.6	K48 L49 L50 D54 I55 V56	K48-H52 PolarHBondContact O-N 2.71Å; K48-H52 VanDerWaalsContact O-N 3.14Å; L49-H52 WeakPolarHBondContact O-CB 3.3Å; L49-H52 PolarHBondContact O-N 3.38Å; L49-H52 VanDerWaalsContact O-N 3.09Å; L50-H52 VanDerWaalsContact C-N 3.3Å; H52-D54 IonicContact CE1-OD2 3.23Å; H52-D54 PolarHBondContact CE1-OD2 2.89Å; H52-D54 PolarHBondContact ND1-N 2.96Å; H52-D54 IonicContact ND1-OD2 3.69Å; H52-D54 PolarHBondContact O-N 2.85Å; H52-D54 VanDerWaalsContact O-N 3.09Å; H52-I55 HydrophobicContact CB-CB 4.33Å; H52-I55 HydrophobicContact CB-CD1 4.28Å; H52-I55 HydrophobicContact CB-CG1 4.35Å; H52-I55 PolarHBondContact O-N 3.26Å; H52-I55 VanDerWaalsContact O-N 3.08Å; H52-V56 WeakPolarHBondContact O-CG2 3.42Å; H52-V56 PolarHBondContact O-N 2.75Å
53	P	63	Low	57.6	Low	80 Å²	80	58 Å²	58	52%	0.519	30%	0.295	S	S	.	.	H	α-helix	trans	-52	-39.8	-173.9	-28.9	34.5	0	0	0	113.4	V56 K57	P53-V56 PolarHBondContact O-N 3.03Å; P53-K57 VanDerWaalsContact O-CG 3.26Å; P53-K57 WeakPolarHBondContact O-CG 3.24Å; P53-K57 PolarHBondContact O-N 3.32Å
54	D	61.4	Low	58.7	Low	62 Å²	62	61.3 Å²	61.3	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-75	-35.7	-177.5	-60.2	-33.7	0	0	0	113.3	H52 V56 K57 V58 V128	H52-D54 IonicContact CE1-OD2 3.23Å; H52-D54 PolarHBondContact CE1-OD2 2.89Å; H52-D54 PolarHBondContact ND1-N 2.96Å; H52-D54 IonicContact ND1-OD2 3.69Å; H52-D54 PolarHBondContact O-N 2.85Å; H52-D54 VanDerWaalsContact O-N 3.09Å; D54-V56 VanDerWaalsContact C-N 3.35Å; D54-K57 PolarHBondContact O-N 3.33Å; D54-K57 IonicContact OD1-NZ 2.88Å; D54-K57 PolarHBondContact OD1-NZ 2.98Å; D54-V58 WeakPolarHBondContact O-CG2 3.04Å; D54-V58 PolarHBondContact O-N 2.91Å; D54-V128 HydrophobicContact CB-CG1 4.01Å
55	I	61.7	Low	59.7	Low	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-39.6	174.4	-66.3	177.2	0	0	0	109.7	L49 L50 H52 V58 V59 V86 V128	L49-I55 HydrophobicContact CD1-CD1 3.42Å; L49-I55 VanDerWaalsContact CD1-CD1 3.42Å; L49-I55 HydrophobicContact CD2-CD1 4.2Å; L49-I55 HydrophobicContact CG-CD1 3.44Å; L49-I55 VanDerWaalsContact CG-CD1 3.44Å; L49-I55 WeakPolarHBondContact O-CD1 3.33Å; L50-I55 HydrophobicContact CD2-CG2 4.21Å; H52-I55 HydrophobicContact CB-CB 4.33Å; H52-I55 HydrophobicContact CB-CD1 4.28Å; H52-I55 HydrophobicContact CB-CG1 4.35Å; H52-I55 PolarHBondContact O-N 3.26Å; H52-I55 VanDerWaalsContact O-N 3.08Å; I55-V58 PolarHBondContact O-N 2.88Å; I55-V59 HydrophobicContact CG2-CG2 4.3Å; I55-V59 WeakPolarHBondContact O-CB 3.07Å; I55-V59 WeakPolarHBondContact O-CG2 3.39Å; I55-V59 PolarHBondContact O-N 3.04Å; I55-V86 HydrophobicContact CG2-CG2 4.3Å; I55-V128 HydrophobicContact CG1-CB 4.45Å; I55-V128 HydrophobicContact CG1-CG1 4.13Å; I55-V128 HydrophobicContact CG1-CG2 4.43Å
56	V	64.5	Low	60.8	Low	44 Å²	44	64.1 Å²	64.1	27%	0.267	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-43.9	173.5	175.4	0	0	0	0	111.3	L50 H52 P53 D54 V59 R60	L50-V56 WeakPolarHBondContact O-CG2 3.01Å; H52-V56 WeakPolarHBondContact O-CG2 3.42Å; H52-V56 PolarHBondContact O-N 2.75Å; P53-V56 PolarHBondContact O-N 3.03Å; D54-V56 VanDerWaalsContact C-N 3.35Å; V56-V59 PolarHBondContact O-N 2.96Å; V56-R60 HydrophobicContact CG1-CG 4.47Å; V56-R60 WeakPolarHBondContact O-CB 3.46Å; V56-R60 VanDerWaalsContact O-CG 3.32Å; V56-R60 WeakPolarHBondContact O-CG 3.46Å; V56-R60 PolarHBondContact O-N 2.74Å
57	K	65.2	Low	61.7	Low	110 Å²	110	64.3 Å²	64.3	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-46.3	176.3	-75	170.4	-162.3	158.7	0	111.4	P53 D54 R60 R61	P53-K57 VanDerWaalsContact O-CG 3.26Å; P53-K57 WeakPolarHBondContact O-CG 3.24Å; P53-K57 PolarHBondContact O-N 3.32Å; D54-K57 PolarHBondContact O-N 3.33Å; D54-K57 IonicContact OD1-NZ 2.88Å; D54-K57 PolarHBondContact OD1-NZ 2.98Å; K57-R60 PolarHBondContact O-N 3.31Å; K57-R61 WeakPolarHBondContact O-CG 3.41Å; K57-R61 PolarHBondContact O-N 3.38Å
58	V	64.4	Low	62.7	Low	12 Å²	12	63.4 Å²	63.4	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-51.1	177.2	171.1	0	0	0	0	110.3	D54 I55 R60 R61 L62 D126 V128 V137	D54-V58 WeakPolarHBondContact O-CG2 3.04Å; D54-V58 PolarHBondContact O-N 2.91Å; I55-V58 PolarHBondContact O-N 2.88Å; V58-R60 PolarHBondContact O-N 3.23Å; V58-R61 CarbonylContact O-C 3.5Å; V58-R61 WeakPolarHBondContact O-CA 3.4Å; V58-R61 WeakPolarHBondContact O-CB 3.42Å; V58-R61 PolarHBondContact O-N 3.29Å; V58-L62 HydrophobicContact CG1-CD2 4.39Å; V58-L62 WeakPolarHBondContact O-CG 3.23Å; V58-L62 PolarHBondContact O-N 3.27Å; V58-D126 HydrophobicContact CG1-CB 3.6Å; V58-D126 VanDerWaalsContact CG2-OD2 3.27Å; V58-D126 WeakPolarHBondContact CG2-OD2 3.41Å; V58-V128 HydrophobicContact CB-CG2 4.09Å; V58-V128 HydrophobicContact CG1-CG2 4.47Å; V58-V128 HydrophobicContact CG2-CG2 3.42Å; V58-V128 VanDerWaalsContact CG2-CG2 3.42Å; V58-V137 HydrophobicContact CG1-CB 4.25Å; V58-V137 HydrophobicContact CG1-CG1 4.23Å; V58-V137 HydrophobicContact CG1-CG2 3.83Å
59	V	62	Low	63.5	Low	22 Å²	22	62.1 Å²	62.1	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-56.2	-36	178.3	172.8	0	0	0	0	112.4	I55 V56 L62 V84 I96 V98	I55-V59 HydrophobicContact CG2-CG2 4.3Å; I55-V59 WeakPolarHBondContact O-CB 3.07Å; I55-V59 WeakPolarHBondContact O-CG2 3.39Å; I55-V59 PolarHBondContact O-N 3.04Å; V56-V59 PolarHBondContact O-N 2.96Å; V59-L62 WeakPolarHBondContact O-CB 3.12Å; V59-L62 PolarHBondContact O-N 2.72Å; V59-V84 HydrophobicContact CG2-CG1 4.45Å; V59-I96 HydrophobicContact CG1-CD1 4.34Å; V59-I96 HydrophobicContact CG1-CG2 4.43Å; V59-I96 HydrophobicContact CG2-CD1 3.82Å; V59-V98 HydrophobicContact CG1-CG2 3.69Å
60	R	63.4	Low	64.1	Low	193 Å²	193	62.5 Å²	62.5	73%	0.728	30%	0.299	S	S	*	.	H	α-helix	trans	-68.8	-41.7	174.1	-74.4	177.6	-179.4	-173.1	1.1	112.6	V56 K57 V58 L62	V56-R60 HydrophobicContact CG1-CG 4.47Å; V56-R60 WeakPolarHBondContact O-CB 3.46Å; V56-R60 VanDerWaalsContact O-CG 3.32Å; V56-R60 WeakPolarHBondContact O-CG 3.46Å; V56-R60 PolarHBondContact O-N 2.74Å; K57-R60 PolarHBondContact O-N 3.31Å; V58-R60 PolarHBondContact O-N 3.23Å; R60-L62 PolarHBondContact O-N 3.08Å
61	R	65.8	Low	64.8	Low	143 Å²	143	62.4 Å²	62.4	54%	0.54	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-21.7	175.7	-71.2	177.5	-180	177	-0.6	113.1	K57 V58 D63 E64 Q65	K57-R61 WeakPolarHBondContact O-CG 3.41Å; K57-R61 PolarHBondContact O-N 3.38Å; V58-R61 CarbonylContact O-C 3.5Å; V58-R61 WeakPolarHBondContact O-CA 3.4Å; V58-R61 WeakPolarHBondContact O-CB 3.42Å; V58-R61 PolarHBondContact O-N 3.29Å; R61-D63 PolarHBondContact O-N 3.39Å; R61-D63 VanDerWaalsContact O-N 3.15Å; R61-E64 PolarHBondContact O-N 2.77Å; R61-E64 VanDerWaalsContact O-N 3.14Å; R61-Q65 PolarHBondContact O-N 3.39Å
62	L	65	Low	65.5	Low	6 Å²	6	59.8 Å²	59.8	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-29.2	178.9	-68.2	-176.3	0	0	0	113.1	V58 V59 R60 E64 Q65 V66 V84 I125 V137	V58-L62 HydrophobicContact CG1-CD2 4.39Å; V58-L62 WeakPolarHBondContact O-CG 3.23Å; V58-L62 PolarHBondContact O-N 3.27Å; V59-L62 WeakPolarHBondContact O-CB 3.12Å; V59-L62 PolarHBondContact O-N 2.72Å; R60-L62 PolarHBondContact O-N 3.08Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.84Å; L62-Q65 CarbonylContact O-C 3.49Å; L62-Q65 PolarHBondContact O-N 2.82Å; L62-V66 WeakPolarHBondContact O-CG2 3.14Å; L62-V66 PolarHBondContact O-N 3Å; L62-V84 HydrophobicContact CD1-CB 4.03Å; L62-V84 HydrophobicContact CD1-CG1 3.44Å; L62-V84 VanDerWaalsContact CD1-CG1 3.44Å; L62-V84 HydrophobicContact CD1-CG2 3.35Å; L62-I125 HydrophobicContact CD1-CD1 4.2Å; L62-I125 HydrophobicContact CD2-CB 3.7Å; L62-I125 HydrophobicContact CD2-CD1 3.41Å; L62-I125 VanDerWaalsContact CD2-CD1 3.41Å; L62-I125 HydrophobicContact CD2-CG1 4.2Å; L62-I125 HydrophobicContact CD2-CG2 3.32Å; L62-I125 HydrophobicContact CG-CD1 4.34Å; L62-V137 HydrophobicContact CD1-CG1 3.79Å; L62-V137 HydrophobicContact CD2-CG1 4.16Å; L62-V137 HydrophobicContact CG-CG1 4.48Å
63	D	61.4	Low	65.8	Low	28 Å²	28	62.5 Å²	62.5	15%	0.15	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-43.9	178.2	-168.4	18.2	0	0	0	112	R61 P101 H104	R61-D63 PolarHBondContact O-N 3.39Å; R61-D63 VanDerWaalsContact O-N 3.15Å; D63-P101 WeakPolarHBondContact OD1-CD 3.18Å; D63-P101 WeakPolarHBondContact OD2-CD 3.3Å; D63-P101 WeakPolarHBondContact OD2-CG 2.85Å; D63-H104 IonicContact OD1-CD2 3.64Å; D63-H104 PolarHBondContact OD1-CD2 3.42Å; D63-H104 IonicContact OD2-CD2 3.79Å; D63-H104 PolarHBondContact OD2-CD2 3.26Å; D63-H104 IonicContact OD2-NE2 2.84Å
64	E	65.2	Low	66.2	Low	142 Å²	142	58.7 Å²	58.7	66%	0.664	27%	0.265	S	S	*	.	H	α-helix	trans	-68.7	-41.9	176	-63.1	174.9	-176	0	0	111	R61 L62 V66 K71	R61-E64 PolarHBondContact O-N 2.77Å; R61-E64 VanDerWaalsContact O-N 3.14Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.84Å; E64-V66 VanDerWaalsContact C-N 3.32Å; E64-V66 PolarHBondContact O-N 2.94Å; E64-K71 PolarHBondContact O-NZ 2.76Å
65	Q	65.5	Low	66.5	Low	85 Å²	85	60 Å²	60	40%	0.397	27%	0.268	S	S	.	.	H	α-helix	trans	-83.2	1.6	-175.1	-61.2	-174.9	8.8	0	0	114.6	R61 L62 P67 I125	R61-Q65 PolarHBondContact O-N 3.39Å; L62-Q65 CarbonylContact O-C 3.49Å; L62-Q65 PolarHBondContact O-N 2.82Å; Q65-P67 WeakPolarHBondContact O-CD 3.01Å; Q65-P67 VanDerWaalsContact O-N 3.1Å; Q65-I125 HydrophobicContact CB-CG2 3.88Å
66	V	68	Low	66.7	Low	8 Å²	8	64.8 Å²	64.8	5%	0.048	29%	0.286	C	S	.	.			trans	-57.8	121.5	176.7	179.2	0	0	0	0	108.8	L62 E64 L70 K71 V82 I100	L62-V66 WeakPolarHBondContact O-CG2 3.14Å; L62-V66 PolarHBondContact O-N 3Å; E64-V66 VanDerWaalsContact C-N 3.32Å; E64-V66 PolarHBondContact O-N 2.94Å; V66-L70 HydrophobicContact CG1-CB 3.68Å; V66-L70 HydrophobicContact CG1-CD1 4.33Å; V66-K71 HydrophobicContact CB-CG 4.31Å; V66-K71 HydrophobicContact CG1-CG 4.02Å; V66-K71 WeakPolarHBondContact O-CE 3.23Å; V66-K71 PolarHBondContact O-NZ 3.17Å; V66-V82 HydrophobicContact CG1-CG2 4.44Å; V66-I100 HydrophobicContact CG1-CD1 4.01Å; V66-I100 HydrophobicContact CG1-CG1 4.42Å; V66-I100 HydrophobicContact CG2-CG1 4.29Å
67	P	68.4	Low	66.8	Low	30 Å²	30	66 Å²	66	20%	0.195	29%	0.293	C	S	.	.			trans	-53	142.7	177.7	-28.9	33.3	0	0	0	112.9	Q65 Y69 L70 K71 P123 L139	Q65-P67 WeakPolarHBondContact O-CD 3.01Å; Q65-P67 VanDerWaalsContact O-N 3.1Å; P67-Y69 VanDerWaalsContact C-N 3.26Å; P67-Y69 HydrophobicContact CB-CD1 3.43Å; P67-Y69 VanDerWaalsContact CB-CD1 3.43Å; P67-Y69 HydrophobicContact CB-CE1 3.23Å; P67-Y69 HydrophobicContact CG-CD1 4.49Å; P67-Y69 HydrophobicContact CG-CE1 3.83Å; P67-Y69 PolarHBondContact O-N 2.92Å; P67-L70 HydrophobicContact CB-CD1 4.35Å; P67-L70 HydrophobicContact CG-CD1 4.12Å; P67-L70 WeakPolarHBondContact O-CB 3.19Å; P67-L70 PolarHBondContact O-N 3.17Å; P67-K71 PolarHBondContact O-N 3.1Å; P67-P123 HydrophobicContact CG-CG 4.08Å; P67-L139 HydrophobicContact CG-CD1 4.38Å
68	Q	70.8	Confident	66.9	Low	99 Å²	99	63.2 Å²	63.2	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-51.8	-43.6	-177.7	-170.8	72.8	-14.2	0	0	113.1	L70 K71 E72 V106	Q68-L70 PolarHBondContact O-N 3.17Å; Q68-L70 VanDerWaalsContact O-N 3.17Å; Q68-K71 WeakPolarHBondContact O-CB 3.45Å; Q68-K71 PolarHBondContact O-N 2.95Å; Q68-K71 VanDerWaalsContact O-N 3.07Å; Q68-E72 WeakPolarHBondContact O-CG 3.18Å; Q68-E72 PolarHBondContact O-N 2.55Å; Q68-V106 HydrophobicContact CG-CG2 4.44Å; Q68-V106 VanDerWaalsContact NE2-CG1 3.33Å; Q68-V106 VanDerWaalsContact OE1-CG2 3.27Å
69	Y	70.2	Confident	67.2	Low	95 Å²	95	67 Å²	67	37%	0.373	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-28.7	179.7	78.8	-90.7	0	0	0	113.1	P67 K73	P67-Y69 VanDerWaalsContact C-N 3.26Å; P67-Y69 HydrophobicContact CB-CD1 3.43Å; P67-Y69 VanDerWaalsContact CB-CD1 3.43Å; P67-Y69 HydrophobicContact CB-CE1 3.23Å; P67-Y69 HydrophobicContact CG-CD1 4.49Å; P67-Y69 HydrophobicContact CG-CE1 3.83Å; P67-Y69 PolarHBondContact O-N 2.92Å; Y69-K73 WeakPolarHBondContact O-CB 3.04Å; Y69-K73 PolarHBondContact O-N 2.86Å
70	L	69.3	Low	67.4	Low	9 Å²	9	69.2 Å²	69.2	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-80.1	-37.1	175.7	-70.9	166.7	0	0	0	111.8	V66 P67 Q68 E72 K73 A74 L139 L142	V66-L70 HydrophobicContact CG1-CB 3.68Å; V66-L70 HydrophobicContact CG1-CD1 4.33Å; P67-L70 HydrophobicContact CB-CD1 4.35Å; P67-L70 HydrophobicContact CG-CD1 4.12Å; P67-L70 WeakPolarHBondContact O-CB 3.19Å; P67-L70 PolarHBondContact O-N 3.17Å; Q68-L70 PolarHBondContact O-N 3.17Å; Q68-L70 VanDerWaalsContact O-N 3.17Å; L70-E72 VanDerWaalsContact C-N 3.32Å; L70-K73 PolarHBondContact O-N 2.68Å; L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 3.25Å; L70-L139 HydrophobicContact CD1-CD1 3.43Å; L70-L139 VanDerWaalsContact CD1-CD1 3.43Å; L70-L139 HydrophobicContact CD1-CD2 3.34Å; L70-L139 HydrophobicContact CD1-CG 3.96Å; L70-L142 HydrophobicContact CD2-CD1 4.3Å; L70-L142 HydrophobicContact CD2-CG 4.11Å
71	K	70.9	Confident	67.6	Low	24 Å²	24	60.6 Å²	60.6	10%	0.104	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-45.4	172.4	-68.5	170.5	172	168.3	0	110.5	E64 V66 P67 Q68 A74 K75 H104 V106	E64-K71 PolarHBondContact O-NZ 2.76Å; V66-K71 HydrophobicContact CB-CG 4.31Å; V66-K71 HydrophobicContact CG1-CG 4.02Å; V66-K71 WeakPolarHBondContact O-CE 3.23Å; V66-K71 PolarHBondContact O-NZ 3.17Å; P67-K71 PolarHBondContact O-N 3.1Å; Q68-K71 WeakPolarHBondContact O-CB 3.45Å; Q68-K71 PolarHBondContact O-N 2.95Å; Q68-K71 VanDerWaalsContact O-N 3.07Å; K71-A74 PolarHBondContact O-N 3.4Å; K71-K75 PolarHBondContact O-N 2.73Å; K71-K75 VanDerWaalsContact O-N 3.08Å; K71-H104 VanDerWaalsContact CD-O 3.31Å; K71-H104 WeakPolarHBondContact CD-O 3.11Å; K71-V106 HydrophobicContact CB-CG2 3.93Å; K71-V106 HydrophobicContact CD-CG2 4.48Å
72	E	70.2	Confident	67.6	Low	44 Å²	44	54 Å²	54	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-50	174.5	-73.3	-178	-171.4	0	0	112.4	Q68 L70 A74 K75 R76 V106 L108	Q68-E72 WeakPolarHBondContact O-CG 3.18Å; Q68-E72 PolarHBondContact O-N 2.55Å; L70-E72 VanDerWaalsContact C-N 3.32Å; E72-A74 VanDerWaalsContact C-N 3.3Å; E72-A74 PolarHBondContact O-N 3.11Å; E72-K75 PolarHBondContact O-N 2.72Å; E72-R76 WeakPolarHBondContact O-CG 3.32Å; E72-R76 PolarHBondContact O-N 3.1Å; E72-V106 HydrophobicContact CG-CB 4.17Å; E72-V106 HydrophobicContact CG-CG1 4.44Å; E72-L108 HydrophobicContact CB-CD2 3.78Å; E72-L108 HydrophobicContact CG-CD2 3.61Å
73	K	66.3	Low	67.6	Low	76 Å²	76	53.7 Å²	53.7	33%	0.33	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-35.9	177.9	-171.2	177.3	-179	169.8	0	112.2	Y69 L70 R76 T77 L142	Y69-K73 WeakPolarHBondContact O-CB 3.04Å; Y69-K73 PolarHBondContact O-N 2.86Å; L70-K73 PolarHBondContact O-N 2.68Å; K73-R76 PolarHBondContact O-N 2.93Å; K73-T77 HydrophobicContact CG-CG2 4.23Å; K73-T77 WeakPolarHBondContact O-CB 3.43Å; K73-T77 WeakPolarHBondContact O-CG2 3.26Å; K73-T77 PolarHBondContact O-N 2.79Å; K73-T77 PolarHBondContact O-OG1 2.69Å; K73-L142 HydrophobicContact CB-CD1 3.76Å; K73-L142 HydrophobicContact CD-CD1 4.01Å; K73-L142 HydrophobicContact CG-CD1 3.7Å
74	A	70.5	Confident	67.7	Low	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-42.2	176.2	0	0	0	0	0	111.3	L70 K71 E72 G78 R79 I100 L105 L142	L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 3.25Å; K71-A74 PolarHBondContact O-N 3.4Å; E72-A74 VanDerWaalsContact C-N 3.3Å; E72-A74 PolarHBondContact O-N 3.11Å; A74-G78 CarbonylContact O-C 3.46Å; A74-G78 WeakPolarHBondContact O-CA 3.35Å; A74-G78 PolarHBondContact O-N 3.17Å; A74-R79 VanDerWaalsContact CA-O 3.23Å; A74-R79 WeakPolarHBondContact CA-O 3.31Å; A74-R79 WeakPolarHBondContact CB-O 3.45Å; A74-R79 PolarHBondContact O-N 3.25Å; A74-I100 HydrophobicContact CB-CD1 3.68Å; A74-L105 HydrophobicContact CB-CD2 3.9Å; A74-L142 HydrophobicContact CB-CD1 3.95Å; A74-L142 HydrophobicContact CB-CD2 4.03Å
75	K	67.3	Low	67.7	Low	90 Å²	90	45.9 Å²	45.9	39%	0.391	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-48	173	-169.3	175.9	-177.4	-178.1	0	111.8	K71 E72 T77 L105 V106 L108	K71-K75 PolarHBondContact O-N 2.73Å; K71-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 PolarHBondContact O-N 2.72Å; K75-T77 PolarHBondContact O-N 3.24Å; K75-L105 HydrophobicContact CB-CB 4.39Å; K75-L105 HydrophobicContact CB-CD1 4.45Å; K75-L105 HydrophobicContact CB-CD2 4.41Å; K75-L105 HydrophobicContact CD-CB 4.46Å; K75-V106 WeakPolarHBondContact CD-O 3.39Å; K75-V106 PolarHBondContact NZ-O 2.76Å; K75-L108 HydrophobicContact CB-CD1 4.36Å; K75-L108 HydrophobicContact CD-CD1 4.21Å; K75-L108 HydrophobicContact CD-CG 4.39Å; K75-L108 HydrophobicContact CG-CD1 4.39Å
76	R	66.6	Low	67.6	Low	101 Å²	101	41.9 Å²	41.9	38%	0.381	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-42.3	179.2	-70.2	178.9	179.4	-162.2	-9.8	113.4	E72 K73 L108 V112	E72-R76 WeakPolarHBondContact O-CG 3.32Å; E72-R76 PolarHBondContact O-N 3.1Å; K73-R76 PolarHBondContact O-N 2.93Å; R76-L108 HydrophobicContact CG-CD1 3.47Å; R76-L108 VanDerWaalsContact CG-CD1 3.47Å; R76-V112 PolarHBondContact NH1-O 2.75Å; R76-V112 VanDerWaalsContact NH2-CB 3.29Å; R76-V112 PolarHBondContact NH2-O 2.83Å
77	T	66.8	Low	67.4	Low	68 Å²	68	42.3 Å²	42.3	42%	0.417	20%	0.203	S	C	.	.	H	α-helix	trans	-95.7	-6	-172.2	60.1	0	0	0	0	113.7	K73 K75 R79	K73-T77 HydrophobicContact CG-CG2 4.23Å; K73-T77 WeakPolarHBondContact O-CB 3.43Å; K73-T77 WeakPolarHBondContact O-CG2 3.26Å; K73-T77 PolarHBondContact O-N 2.79Å; K73-T77 PolarHBondContact O-OG1 2.69Å; K75-T77 PolarHBondContact O-N 3.24Å; T77-R79 PolarHBondContact O-N 3.07Å; T77-R79 VanDerWaalsContact O-N 3.09Å; T77-R79 WeakPolarHBondContact OG1-CB 3.18Å; T77-R79 PolarHBondContact OG1-N 3.23Å
78	G	67.3	Low	67	Low	53 Å²	53	42 Å²	42	55%	0.546	20%	0.199	S	C	.	.			trans	65.3	2.2	-169.5	0	0	0	0	0	114.2	A74 R80	A74-G78 CarbonylContact O-C 3.46Å; A74-G78 WeakPolarHBondContact O-CA 3.35Å; A74-G78 PolarHBondContact O-N 3.17Å; G78-R80 PolarHBondContact O-N 3Å
79	R	69.7	Low	66.7	Low	92 Å²	92	44.2 Å²	44.2	35%	0.347	22%	0.215	S	C	.	.			trans	-85.2	101.3	-178.8	-63.6	-177.1	-172.3	-168.4	3.3	109.2	A74 T77 L142 K143 K144	A74-R79 VanDerWaalsContact CA-O 3.23Å; A74-R79 WeakPolarHBondContact CA-O 3.31Å; A74-R79 WeakPolarHBondContact CB-O 3.45Å; A74-R79 PolarHBondContact O-N 3.25Å; T77-R79 PolarHBondContact O-N 3.07Å; T77-R79 VanDerWaalsContact O-N 3.09Å; T77-R79 WeakPolarHBondContact OG1-CB 3.18Å; T77-R79 PolarHBondContact OG1-N 3.23Å; R79-L142 HydrophobicContact CB-CB 3.95Å; R79-L142 PolarHBondContact NH1-O 3.05Å; R79-K143 WeakPolarHBondContact CB-O 3.45Å; R79-K144 HydrophobicContact CG-CG 4.31Å
80	R	67.8	Low	66.1	Low	68 Å²	68	42.3 Å²	42.3	26%	0.257	22%	0.223	S	C	.	.			trans	-89	-5.4	-179.8	-62.4	-173.4	-175.4	169.2	3.9	113.7	G78 K99 I100	G78-R80 PolarHBondContact O-N 3Å; R80-K99 HydrophobicContact CB-CG 4.24Å; R80-K99 CarbonylContact O-C 3.5Å; R80-K99 WeakPolarHBondContact O-CA 3.3Å; R80-I100 PolarHBondContact O-N 3.31Å
81	Y	67.6	Low	65.7	Low	11 Å²	11	48.4 Å²	48.4	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.7	-174.5	-73.5	-89.2	0	0	0	112.1	V98 K99 L142 K143 P145 D152	Y81-V98 CarbonylContact C-O 3.59Å; Y81-V98 WeakPolarHBondContact CA-O 3.46Å; Y81-K99 HydrophobicContact CD1-CB 4.16Å; Y81-K99 HydrophobicContact CE1-CB 3.69Å; Y81-K99 HydrophobicContact CE1-CG 4.19Å; Y81-K99 HydrophobicContact CE2-CG 4.28Å; Y81-L142 CarbonylContact O-C 3.59Å; Y81-L142 WeakPolarHBondContact O-CA 3.02Å; Y81-K143 PolarHBondContact O-N 3.26Å; Y81-P145 HydrophobicContact CD2-CB 3.81Å; Y81-P145 HydrophobicContact CD2-CG 4.3Å; Y81-P145 HydrophobicContact CE2-CB 3.47Å; Y81-P145 VanDerWaalsContact CE2-CB 3.47Å; Y81-P145 HydrophobicContact CE2-CG 4.11Å; Y81-D152 WeakPolarHBondContact CE2-OD2 3.32Å; Y81-D152 VanDerWaalsContact CZ-OD2 3.32Å; Y81-D152 PolarHBondContact OH-OD1 2.95Å; Y81-D152 PolarHBondContact OH-OD2 2.87Å
82	V	64.3	Low	65.1	Low	4 Å²	4	50.9 Å²	50.9	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.8	170.9	164.7	0	0	0	0	109.8	V66 V84 S97 V98 I100 L139 L142	V66-V82 HydrophobicContact CG1-CG2 4.44Å; V82-V84 HydrophobicContact CG1-CG2 4.21Å; V82-S97 CarbonylContact O-C 3.52Å; V82-S97 VanDerWaalsContact O-CA 3.28Å; V82-S97 WeakPolarHBondContact O-CA 3.27Å; V82-V98 PolarHBondContact N-O 2.84Å; V82-V98 PolarHBondContact O-N 2.9Å; V82-I100 HydrophobicContact CG2-CD1 3.67Å; V82-I100 HydrophobicContact CG2-CG1 3.9Å; V82-L139 HydrophobicContact CB-CD2 4.31Å; V82-L139 HydrophobicContact CG1-CD1 3.97Å; V82-L139 HydrophobicContact CG1-CD2 3.22Å; V82-L139 HydrophobicContact CG1-CG 3.42Å; V82-L139 VanDerWaalsContact CG1-CG 3.42Å; V82-L139 HydrophobicContact CG2-CD2 4.24Å; V82-L142 HydrophobicContact CG2-CD2 3.59Å
83	S	65.9	Low	64.6	Low	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.5	168.2	-68	0	0	0	0	111.5	Q95 I96 K140 Q141 K143	S83-Q95 PolarHBondContact OG-NE2 3.43Å; S83-I96 CarbonylContact C-O 3.42Å; S83-I96 VanDerWaalsContact CA-O 3.27Å; S83-I96 WeakPolarHBondContact CA-O 3.28Å; S83-K140 PolarHBondContact O-N 2.85Å; S83-Q141 PolarHBondContact N-O 3.39Å; S83-K143 VanDerWaalsContact OG-CD 3.26Å; S83-K143 WeakPolarHBondContact OG-CD 3.11Å; S83-K143 WeakPolarHBondContact OG-CE 3.42Å; S83-K143 WeakPolarHBondContact OG-CG 3.34Å
84	V	63.1	Low	64.3	Low	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.9	174	-177	0	0	0	0	107.9	V59 L62 V82 Q95 I96 V98 V137	V59-V84 HydrophobicContact CG2-CG1 4.45Å; L62-V84 HydrophobicContact CD1-CB 4.03Å; L62-V84 HydrophobicContact CD1-CG1 3.44Å; L62-V84 VanDerWaalsContact CD1-CG1 3.44Å; L62-V84 HydrophobicContact CD1-CG2 3.35Å; V82-V84 HydrophobicContact CG1-CG2 4.21Å; V84-Q95 CarbonylContact O-C 3.59Å; V84-Q95 VanDerWaalsContact O-CA 3.3Å; V84-Q95 WeakPolarHBondContact O-CA 3.08Å; V84-I96 HydrophobicContact CB-CB 4.33Å; V84-I96 PolarHBondContact N-O 3.27Å; V84-I96 PolarHBondContact O-N 3.19Å; V84-V98 HydrophobicContact CG2-CB 4.33Å; V84-V98 HydrophobicContact CG2-CG2 3.6Å; V84-V137 HydrophobicContact CG1-CG1 3.43Å; V84-V137 VanDerWaalsContact CG1-CG1 3.43Å
85	L	65.2	Low	63.8	Low	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.6	174.1	-67.5	169.9	0	0	0	109.2	F92 K94 Q95 Y121 V137 V138 K140	L85-F92 HydrophobicContact CB-CD1 3.94Å; L85-F92 HydrophobicContact CB-CE1 4.33Å; L85-F92 HydrophobicContact CD1-CD1 3.71Å; L85-F92 HydrophobicContact CD1-CE1 3.73Å; L85-F92 HydrophobicContact CD1-CG 4.46Å; L85-F92 HydrophobicContact CD2-CD1 4.29Å; L85-F92 HydrophobicContact CG-CD1 4.22Å; L85-K94 WeakPolarHBondContact CA-O 3.49Å; L85-Q95 HydrophobicContact CD2-CB 3.72Å; L85-Q95 HydrophobicContact CD2-CG 3.93Å; L85-Y121 HydrophobicContact CD1-CD1 4.01Å; L85-Y121 HydrophobicContact CD1-CE1 3.93Å; L85-V137 WeakPolarHBondContact O-CA 3.44Å; L85-V138 HydrophobicContact CB-CB 4.4Å; L85-V138 PolarHBondContact N-O 3.23Å; L85-V138 PolarHBondContact O-N 2.79Å; L85-K140 HydrophobicContact CD1-CB 3.7Å; L85-K140 HydrophobicContact CD1-CD 3.51Å; L85-K140 HydrophobicContact CD1-CG 3.58Å; L85-K140 HydrophobicContact CD2-CD 4.36Å; L85-K140 HydrophobicContact CG-CB 4.02Å; L85-K140 HydrophobicContact CG-CD 4.17Å; L85-K140 HydrophobicContact CG-CG 4.36Å
86	V	63	Low	63.6	Low	1 Å²	1	49.3 Å²	49.3	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.7	163.6	-174.6	0	0	0	0	107	L49 L50 I55 V93 K94 Y135	L49-V86 HydrophobicContact CD2-CG1 3.89Å; L50-V86 HydrophobicContact CD2-CG2 3.87Å; I55-V86 HydrophobicContact CG2-CG2 4.3Å; V86-V93 PolarHBondContact O-N 2.84Å; V86-K94 PolarHBondContact N-O 3.4Å; V86-K94 VanDerWaalsContact N-O 3.08Å; V86-Y135 HydrophobicContact CG1-CD1 3.73Å; V86-Y135 HydrophobicContact CG1-CG 4.21Å
87	D	63.4	Low	63.4	Low	18 Å²	18	45.6 Å²	45.6	10%	0.096	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.4	175.8	-178.9	42.6	0	0	0	109.6	G90 K91 F92 Y135 R136	D87-G90 WeakPolarHBondContact OD1-CA 3.18Å; D87-G90 PolarHBondContact OD1-N 2.78Å; D87-G90 VanDerWaalsContact OD1-N 3.13Å; D87-K91 PolarHBondContact OD1-N 3.49Å; D87-K91 VanDerWaalsContact OD1-N 3.14Å; D87-F92 HydrophobicContact CB-CD1 4.22Å; D87-F92 HydrophobicContact CB-CE1 4.09Å; D87-Y135 CarbonylContact O-C 3.5Å; D87-Y135 WeakPolarHBondContact O-CA 3.04Å; D87-R136 HydrophobicContact CB-CB 4.23Å; D87-R136 PolarHBondContact N-O 2.85Å; D87-R136 PolarHBondContact O-N 2.79Å
88	D	61.6	Low	63.3	Low	22 Å²	22	43.5 Å²	43.5	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	105.6	173.8	178	27.2	0	0	0	107.7	H31 G90 K91 V93 Y135	H31-D88 IonicContact CE1-OD2 3.36Å; H31-D88 PolarHBondContact CE1-OD2 2.76Å; H31-D88 VanDerWaalsContact CE1-OD2 3.27Å; H31-D88 IonicContact ND1-OD2 3.9Å; D88-G90 PolarHBondContact O-N 3.4Å; D88-K91 PolarHBondContact N-O 3.08Å; D88-K91 WeakPolarHBondContact O-CB 3.43Å; D88-K91 PolarHBondContact O-N 2.99Å; D88-V93 HydrophobicContact CB-CG2 3.54Å; D88-Y135 HydrophobicContact CB-CD1 4.18Å; D88-Y135 HydrophobicContact CB-CE1 4.16Å
89	D	64.3	Low	63.4	Low	147 Å²	147	45.1 Å²	45.1	79%	0.786	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	41	46.2	-177.1	-83.1	-19.2	0	0	0	115
90	G	57.6	Low	63.2	Low	54 Å²	54	40.8 Å²	40.8	56%	0.557	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	0.1	177.2	0	0	0	0	0	115.1	D87 D88	D87-G90 WeakPolarHBondContact OD1-CA 3.18Å; D87-G90 PolarHBondContact OD1-N 2.78Å; D87-G90 VanDerWaalsContact OD1-N 3.13Å; D88-G90 PolarHBondContact O-N 3.4Å
91	K	60.6	Low	63.1	Low	137 Å²	137	38.8 Å²	38.8	60%	0.596	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102	118.7	170.2	-67	179.2	-176.3	170.1	0	110.1	I29 D87 D88 V93	I29-K91 HydrophobicContact CD1-CB 4.2Å; D87-K91 PolarHBondContact OD1-N 3.49Å; D87-K91 VanDerWaalsContact OD1-N 3.14Å; D88-K91 PolarHBondContact N-O 3.08Å; D88-K91 WeakPolarHBondContact O-CB 3.43Å; D88-K91 PolarHBondContact O-N 2.99Å; K91-V93 PolarHBondContact O-N 2.89Å; K91-V93 VanDerWaalsContact O-N 3.15Å
92	F	58.4	Low	63	Low	77 Å²	77	44.4 Å²	44.4	34%	0.338	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	111.6	172.3	-62.1	-66.9	0	0	0	110.8	L85 D87 Y121	L85-F92 HydrophobicContact CB-CD1 3.94Å; L85-F92 HydrophobicContact CB-CE1 4.33Å; L85-F92 HydrophobicContact CD1-CD1 3.71Å; L85-F92 HydrophobicContact CD1-CE1 3.73Å; L85-F92 HydrophobicContact CD1-CG 4.46Å; L85-F92 HydrophobicContact CD2-CD1 4.29Å; L85-F92 HydrophobicContact CG-CD1 4.22Å; D87-F92 HydrophobicContact CB-CD1 4.22Å; D87-F92 HydrophobicContact CB-CE1 4.09Å; F92-Y121 HydrophobicContact CD1-CE1 4.5Å; F92-Y121 HydrophobicContact CD2-CE1 4.42Å; F92-Y121 HydrophobicContact CE1-CD1 4Å; F92-Y121 AromaticContact CE1-CE1 3.55Å; F92-Y121 HydrophobicContact CE1-CE1 3.55Å; F92-Y121 AromaticContact CE2-CE1 3.47Å; F92-Y121 HydrophobicContact CE2-CE1 3.47Å; F92-Y121 VanDerWaalsContact CE2-CE1 3.47Å; F92-Y121 AromaticContact CE2-CZ 3.5Å; F92-Y121 VanDerWaalsContact CE2-CZ 3.5Å; F92-Y121 WeakPolarHBondContact CE2-OH 3.36Å; F92-Y121 AromaticContact CZ-CD1 3.69Å; F92-Y121 HydrophobicContact CZ-CD1 3.69Å; F92-Y121 AromaticContact CZ-CE1 2.95Å; F92-Y121 HydrophobicContact CZ-CE1 2.95Å; F92-Y121 HydrophobicContact CZ-CE2 4.35Å; F92-Y121 AromaticContact CZ-CZ 3.36Å; F92-Y121 WeakPolarHBondContact CZ-OH 3.31Å
93	V	58.5	Low	63.2	Low	18 Å²	18	52.6 Å²	52.6	11%	0.109	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-45.4	-176.6	-175.2	0	0	0	0	110.7	I29 H31 A46 L49 V86 D88 K91	I29-V93 HydrophobicContact CD1-CB 4.47Å; I29-V93 HydrophobicContact CD1-CG2 4.01Å; H31-V93 VanDerWaalsContact NE2-CG1 3.31Å; H31-V93 WeakPolarHBondContact NE2-CG1 3.43Å; A46-V93 HydrophobicContact CB-CG1 3.52Å; L49-V93 HydrophobicContact CD2-CB 4.25Å; L49-V93 HydrophobicContact CD2-CG1 3.8Å; L49-V93 HydrophobicContact CD2-CG2 4.47Å; V86-V93 PolarHBondContact O-N 2.84Å; D88-V93 HydrophobicContact CB-CG2 3.54Å; K91-V93 PolarHBondContact O-N 2.89Å; K91-V93 VanDerWaalsContact O-N 3.15Å
94	K	60.4	Low	63.1	Low	65 Å²	65	54.9 Å²	54.9	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	156.1	-179.1	-157.2	157.3	165.3	-173.1	0	113	A46 N47 L50 L85 V86	A46-K94 WeakPolarHBondContact O-CD 3.41Å; N47-K94 PolarHBondContact OD1-NZ 3.2Å; L50-K94 HydrophobicContact CD1-CB 4.21Å; L50-K94 HydrophobicContact CD1-CD 3.33Å; L50-K94 HydrophobicContact CD1-CG 3.71Å; L50-K94 HydrophobicContact CD2-CB 4.4Å; L50-K94 HydrophobicContact CG-CB 4.34Å; L50-K94 HydrophobicContact CG-CD 3.82Å; L50-K94 HydrophobicContact CG-CG 4.31Å; L85-K94 WeakPolarHBondContact CA-O 3.49Å; V86-K94 PolarHBondContact N-O 3.4Å; V86-K94 VanDerWaalsContact N-O 3.08Å
95	Q	60.8	Low	63.2	Low	69 Å²	69	56.1 Å²	56.1	32%	0.322	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.7	175.3	-175.3	172.5	-1.3	0	0	110.7	S83 V84 L85	S83-Q95 PolarHBondContact OG-NE2 3.43Å; V84-Q95 CarbonylContact O-C 3.59Å; V84-Q95 VanDerWaalsContact O-CA 3.3Å; V84-Q95 WeakPolarHBondContact O-CA 3.08Å; L85-Q95 HydrophobicContact CD2-CB 3.72Å; L85-Q95 HydrophobicContact CD2-CG 3.93Å
96	I	63.4	Low	63.1	Low	24 Å²	24	57.5 Å²	57.5	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	149.6	168.9	-63.3	163	0	0	0	109	L50 V59 S83 V84 V98	L50-I96 HydrophobicContact CB-CD1 4.38Å; L50-I96 HydrophobicContact CD1-CD1 3.64Å; L50-I96 HydrophobicContact CD1-CG1 3.38Å; L50-I96 HydrophobicContact CD2-CD1 3.31Å; L50-I96 HydrophobicContact CD2-CG1 3.89Å; L50-I96 HydrophobicContact CG-CD1 3.95Å; L50-I96 HydrophobicContact CG-CG1 4.21Å; V59-I96 HydrophobicContact CG1-CD1 4.34Å; V59-I96 HydrophobicContact CG1-CG2 4.43Å; V59-I96 HydrophobicContact CG2-CD1 3.82Å; S83-I96 CarbonylContact C-O 3.42Å; S83-I96 VanDerWaalsContact CA-O 3.27Å; S83-I96 WeakPolarHBondContact CA-O 3.28Å; V84-I96 HydrophobicContact CB-CB 4.33Å; V84-I96 PolarHBondContact N-O 3.27Å; V84-I96 PolarHBondContact O-N 3.19Å; I96-V98 HydrophobicContact CG2-CG2 4.07Å
97	S	62.5	Low	62.9	Low	23 Å²	23	65.5 Å²	65.5	16%	0.161	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.4	163.5	-57.1	0	0	0	0	109.4	V82	V82-S97 CarbonylContact O-C 3.52Å; V82-S97 VanDerWaalsContact O-CA 3.28Å; V82-S97 WeakPolarHBondContact O-CA 3.27Å
98	V	64.3	Low	62.4	Low	24 Å²	24	67.1 Å²	67.1	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.8	176.8	180	0	0	0	0	108.2	V59 Y81 V82 V84 I96	V59-V98 HydrophobicContact CG1-CG2 3.69Å; Y81-V98 CarbonylContact C-O 3.59Å; Y81-V98 WeakPolarHBondContact CA-O 3.46Å; V82-V98 PolarHBondContact N-O 2.84Å; V82-V98 PolarHBondContact O-N 2.9Å; V84-V98 HydrophobicContact CG2-CB 4.33Å; V84-V98 HydrophobicContact CG2-CG2 3.6Å; I96-V98 HydrophobicContact CG2-CG2 4.07Å
99	K	68.1	Low	61.9	Low	87 Å²	87	73.1 Å²	73.1	38%	0.378	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.5	177	-171	-179.8	-174.3	169.5	0	109.4	R80 Y81 P101 D152	R80-K99 HydrophobicContact CB-CG 4.24Å; R80-K99 CarbonylContact O-C 3.5Å; R80-K99 WeakPolarHBondContact O-CA 3.3Å; Y81-K99 HydrophobicContact CD1-CB 4.16Å; Y81-K99 HydrophobicContact CE1-CB 3.69Å; Y81-K99 HydrophobicContact CE1-CG 4.19Å; Y81-K99 HydrophobicContact CE2-CG 4.28Å; K99-P101 VanDerWaalsContact O-CD 3.3Å; K99-P101 WeakPolarHBondContact O-CD 3.48Å; K99-D152 IonicContact NZ-OD1 3.4Å; K99-D152 PolarHBondContact NZ-OD1 2.83Å
100	I	66.8	Low	60.9	Low	1 Å²	1	72.2 Å²	72.2	1%	0.005	35%	0.353	C	S	.	.			trans	-78.1	114.2	165.1	-56.9	167.9	0	0	0	107.1	V66 A74 R80 V82 H104 L105 L142	V66-I100 HydrophobicContact CG1-CD1 4.01Å; V66-I100 HydrophobicContact CG1-CG1 4.42Å; V66-I100 HydrophobicContact CG2-CG1 4.29Å; A74-I100 HydrophobicContact CB-CD1 3.68Å; R80-I100 PolarHBondContact O-N 3.31Å; V82-I100 HydrophobicContact CG2-CD1 3.67Å; V82-I100 HydrophobicContact CG2-CG1 3.9Å; I100-H104 HydrophobicContact CG2-CB 4.1Å; I100-L105 HydrophobicContact CG2-CD2 3.82Å; I100-L142 HydrophobicContact CD1-CD2 3.86Å
101	P	66.1	Low	60.1	Low	27 Å²	27	76 Å²	76	18%	0.175	37%	0.367	C	S	.	.			trans	-60.5	151.8	173.2	-22	34	0	0	0	112.4	D63 K99 Y103 H104	D63-P101 WeakPolarHBondContact OD1-CD 3.18Å; D63-P101 WeakPolarHBondContact OD2-CD 3.3Å; D63-P101 WeakPolarHBondContact OD2-CG 2.85Å; K99-P101 VanDerWaalsContact O-CD 3.3Å; K99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-Y103 VanDerWaalsContact C-N 3.26Å; P101-Y103 HydrophobicContact CB-CD1 3.64Å; P101-Y103 HydrophobicContact CB-CE1 3.16Å; P101-Y103 HydrophobicContact CB-CE2 4.21Å; P101-Y103 HydrophobicContact CB-CG 4.31Å; P101-Y103 VanDerWaalsContact CB-CZ 3.47Å; P101-Y103 HydrophobicContact CG-CE1 3.92Å; P101-Y103 PolarHBondContact O-N 3.13Å; P101-H104 PolarHBondContact O-N 2.86Å; P101-H104 VanDerWaalsContact O-N 3.1Å
102	R	63.9	Low	59.3	Low	128 Å²	128	72.2 Å²	72.2	48%	0.483	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-59.4	-36.2	-176.6	-173	178	178.9	163.8	-1.6	112.5	H104 L105 M161	R102-H104 VanDerWaalsContact C-N 3.26Å; R102-H104 PolarHBondContact O-N 3.14Å; R102-L105 VanDerWaalsContact O-CB 3.32Å; R102-L105 WeakPolarHBondContact O-CB 3.05Å; R102-L105 PolarHBondContact O-N 2.86Å; R102-L105 VanDerWaalsContact O-N 3.11Å; R102-M161 VanDerWaalsContact NH2-CE 3.32Å
103	Y	68.8	Low	58.5	Low	176 Å²	176	74.3 Å²	74.3	69%	0.69	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-72.1	-18.1	-178.9	59.2	-95.7	0	0	0	113.4	P101 L105	P101-Y103 VanDerWaalsContact C-N 3.26Å; P101-Y103 HydrophobicContact CB-CD1 3.64Å; P101-Y103 HydrophobicContact CB-CE1 3.16Å; P101-Y103 HydrophobicContact CB-CE2 4.21Å; P101-Y103 HydrophobicContact CB-CG 4.31Å; P101-Y103 VanDerWaalsContact CB-CZ 3.47Å; P101-Y103 HydrophobicContact CG-CE1 3.92Å; P101-Y103 PolarHBondContact O-N 3.13Å; Y103-L105 VanDerWaalsContact C-N 3.33Å
104	H	63.9	Low	57.6	Low	48 Å²	48	79 Å²	79	22%	0.222	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-85.9	-4	171	-74	-51.3	0	0	0	113	D63 K71 I100 P101 R102	D63-H104 IonicContact OD1-CD2 3.64Å; D63-H104 PolarHBondContact OD1-CD2 3.42Å; D63-H104 IonicContact OD2-CD2 3.79Å; D63-H104 PolarHBondContact OD2-CD2 3.26Å; D63-H104 IonicContact OD2-NE2 2.84Å; K71-H104 VanDerWaalsContact CD-O 3.31Å; K71-H104 WeakPolarHBondContact CD-O 3.11Å; I100-H104 HydrophobicContact CG2-CB 4.1Å; P101-H104 PolarHBondContact O-N 2.86Å; P101-H104 VanDerWaalsContact O-N 3.1Å; R102-H104 VanDerWaalsContact C-N 3.26Å; R102-H104 PolarHBondContact O-N 3.14Å
105	L	65.8	Low	56.4	Low	28 Å²	28	81.8 Å²	81.8	15%	0.147	43%	0.426	C	S	.	.	S	Bend	trans	-78.8	128.9	175.8	-59.9	178.2	0	0	0	110.9	A74 K75 I100 R102 Y103	A74-L105 HydrophobicContact CB-CD2 3.9Å; K75-L105 HydrophobicContact CB-CB 4.39Å; K75-L105 HydrophobicContact CB-CD1 4.45Å; K75-L105 HydrophobicContact CB-CD2 4.41Å; K75-L105 HydrophobicContact CD-CB 4.46Å; I100-L105 HydrophobicContact CG2-CD2 3.82Å; R102-L105 VanDerWaalsContact O-CB 3.32Å; R102-L105 WeakPolarHBondContact O-CB 3.05Å; R102-L105 PolarHBondContact O-N 2.86Å; R102-L105 VanDerWaalsContact O-N 3.11Å; Y103-L105 VanDerWaalsContact C-N 3.33Å
106	V	62.2	Low	55.4	Low	33 Å²	33	85 Å²	85	20%	0.2	45%	0.446	C	S	.	.			trans	-76.6	139.4	-176.3	-178.3	0	0	0	0	110.2	Q68 K71 E72 K75 L108	Q68-V106 HydrophobicContact CG-CG2 4.44Å; Q68-V106 VanDerWaalsContact NE2-CG1 3.33Å; Q68-V106 VanDerWaalsContact OE1-CG2 3.27Å; K71-V106 HydrophobicContact CB-CG2 3.93Å; K71-V106 HydrophobicContact CD-CG2 4.48Å; E72-V106 HydrophobicContact CG-CB 4.17Å; E72-V106 HydrophobicContact CG-CG1 4.44Å; K75-V106 WeakPolarHBondContact CD-O 3.39Å; K75-V106 PolarHBondContact NZ-O 2.76Å; V106-L108 PolarHBondContact O-N 2.93Å
107	K	59.5	Low	54.4	Low	170 Å²	170	87.3 Å²	87.3	74%	0.739	46%	0.462	S	S	*	.			trans	-68.6	116	166.9	-73.2	-172.8	-179.7	-177.6	0	109.1	N109	K107-N109 PolarHBondContact O-N 3.31Å
108	L	52.8	Low	53.2	Low	52 Å²	52	96 Å²	96	27%	0.272	50%	0.497	S	S	.	.			trans	-81.3	99	177.6	-68.7	164.8	0	0	0	107.9	E72 K75 R76 V106	E72-L108 HydrophobicContact CB-CD2 3.78Å; E72-L108 HydrophobicContact CG-CD2 3.61Å; K75-L108 HydrophobicContact CB-CD1 4.36Å; K75-L108 HydrophobicContact CD-CD1 4.21Å; K75-L108 HydrophobicContact CD-CG 4.39Å; K75-L108 HydrophobicContact CG-CD1 4.39Å; R76-L108 HydrophobicContact CG-CD1 3.47Å; R76-L108 VanDerWaalsContact CG-CD1 3.47Å; V106-L108 PolarHBondContact O-N 2.93Å
109	N	50.7	Low	52.1	Low	147 Å²	147	105.1 Å²	105.1	79%	0.786	53%	0.529	S	S	*	.			trans	-103.4	10.2	173.5	-71.7	6	0	0	0	112.4	K107	K107-N109 PolarHBondContact O-N 3.31Å
110	L	44.4	Very low	50.9	Low	129 Å²	129	108.1 Å²	108.1	68%	0.675	54%	0.544	S	S	*	.	S	Bend	trans	-128.8	141.4	-173.9	-72.9	164.2	0	0	0	112.4	V112	L110-V112 VanDerWaalsContact C-N 3.35Å; L110-V112 HydrophobicContact CB-CG2 3.87Å; L110-V112 PolarHBondContact O-N 3.18Å
111	P	40.1	Very low	50.1	Low	132 Å²	132	112.3 Å²	112.3	86%	0.857	56%	0.561	S	S	*	*			trans	-72.2	88.9	166.4	29.3	-31.1	0	0	0	109.3
112	V	44.7	Very low	49.5	Very low	59 Å²	59	112 Å²	112	36%	0.358	56%	0.562	S	S	.	*			trans	-94.5	122.9	-179.6	-167.5	0	0	0	0	111.2	R76 L110 T114	R76-V112 PolarHBondContact NH1-O 2.75Å; R76-V112 VanDerWaalsContact NH2-CB 3.29Å; R76-V112 PolarHBondContact NH2-O 2.83Å; L110-V112 VanDerWaalsContact C-N 3.35Å; L110-V112 HydrophobicContact CB-CG2 3.87Å; L110-V112 PolarHBondContact O-N 3.18Å; V112-T114 PolarHBondContact O-N 3.37Å
113	T	39.6	Very low	49.3	Very low	121 Å²	121	108.8 Å²	108.8	74%	0.742	56%	0.558	S	S	*	*			trans	-61.3	118.6	170.6	42.7	0	0	0	0	110.5	T115	T113-T115 PolarHBondContact O-N 3.17Å
114	T	40	Very low	48.8	Very low	115 Å²	115	104.8 Å²	104.8	71%	0.706	55%	0.547	S	S	*	.			trans	-70.2	92.7	172.8	37.9	0	0	0	0	109.6	V112 N116	V112-T114 PolarHBondContact O-N 3.37Å; T114-N116 PolarHBondContact O-N 3.01Å
115	T	35.7	Very low	48.7	Very low	124 Å²	124	103.9 Å²	103.9	76%	0.761	54%	0.544	S	S	*	.			trans	-68.6	115.3	157.5	44.5	0	0	0	0	106.8	T113 P117	T113-T115 PolarHBondContact O-N 3.17Å; T115-P117 WeakPolarHBondContact O-CD 3.46Å; T115-P117 VanDerWaalsContact O-N 3.11Å
116	N	39.7	Very low	48.6	Very low	138 Å²	138	104.8 Å²	104.8	74%	0.738	55%	0.549	S	S	*	.			trans	-60.2	110.9	170.2	-97.2	-33.4	0	0	0	107.7	T114 K118	T114-N116 PolarHBondContact O-N 3.01Å; N116-K118 VanDerWaalsContact C-N 3.35Å; N116-K118 PolarHBondContact O-N 2.95Å
117	P	42.5	Very low	48.7	Very low	71 Å²	71	108.3 Å²	108.3	46%	0.461	56%	0.563	S	S	.	*			trans	-69.8	101.4	171.3	28.8	-29.5	0	0	0	106.7	T115 R119	T115-P117 WeakPolarHBondContact O-CD 3.46Å; T115-P117 VanDerWaalsContact O-N 3.11Å; P117-R119 PolarHBondContact O-N 3.48Å
118	K	37.4	Very low	48.8	Very low	205 Å²	205	100.6 Å²	100.6	89%	0.891	53%	0.53	S	S	*	.			trans	-66.1	7.1	174.7	-83.6	-172.7	176.3	-179.2	0	113.5	N116	N116-K118 VanDerWaalsContact C-N 3.35Å; N116-K118 PolarHBondContact O-N 2.95Å
119	R	40.4	Very low	49	Very low	216 Å²	216	104.7 Å²	104.7	82%	0.815	55%	0.548	S	S	*	.			trans	-91.3	112	173.6	-62.4	-170	178.1	-171.8	0.1	108.3	P117 Y121	P117-R119 PolarHBondContact O-N 3.48Å; R119-Y121 WeakPolarHBondContact CB-O 3.49Å; R119-Y121 PolarHBondContact O-N 2.98Å; R119-Y121 VanDerWaalsContact O-N 3.1Å
120	E	44.3	Very low	49.2	Very low	150 Å²	150	98 Å²	98	70%	0.701	51%	0.513	S	S	*	.	S	Bend	trans	-60.7	-11.9	172.1	-63.4	-173.3	163.9	0	0	112.8	K140	E120-K140 VanDerWaalsContact O-CG 3.23Å; E120-K140 WeakPolarHBondContact O-CG 3.13Å
121	Y	48.5	Very low	49.9	Very low	90 Å²	90	93.2 Å²	93.2	35%	0.353	50%	0.495	S	S	.	.	S	Bend	trans	-121.9	122.9	173.3	-55.7	-73.7	0	0	0	108.8	L85 F92 R119 V138	L85-Y121 HydrophobicContact CD1-CD1 4.01Å; L85-Y121 HydrophobicContact CD1-CE1 3.93Å; F92-Y121 HydrophobicContact CD1-CE1 4.5Å; F92-Y121 HydrophobicContact CD2-CE1 4.42Å; F92-Y121 HydrophobicContact CE1-CD1 4Å; F92-Y121 AromaticContact CE1-CE1 3.55Å; F92-Y121 HydrophobicContact CE1-CE1 3.55Å; F92-Y121 AromaticContact CE2-CE1 3.47Å; F92-Y121 HydrophobicContact CE2-CE1 3.47Å; F92-Y121 VanDerWaalsContact CE2-CE1 3.47Å; F92-Y121 AromaticContact CE2-CZ 3.5Å; F92-Y121 VanDerWaalsContact CE2-CZ 3.5Å; F92-Y121 WeakPolarHBondContact CE2-OH 3.36Å; F92-Y121 AromaticContact CZ-CD1 3.69Å; F92-Y121 HydrophobicContact CZ-CD1 3.69Å; F92-Y121 AromaticContact CZ-CE1 2.95Å; F92-Y121 HydrophobicContact CZ-CE1 2.95Å; F92-Y121 HydrophobicContact CZ-CE2 4.35Å; F92-Y121 AromaticContact CZ-CZ 3.36Å; F92-Y121 WeakPolarHBondContact CZ-OH 3.31Å; R119-Y121 WeakPolarHBondContact CB-O 3.49Å; R119-Y121 PolarHBondContact O-N 2.98Å; R119-Y121 VanDerWaalsContact O-N 3.1Å; Y121-V138 HydrophobicContact CD1-CG1 4.27Å
122	G	55.3	Low	50.9	Low	19 Å²	19	95 Å²	95	20%	0.196	50%	0.497	C	S	.	.			trans	-69.4	-176.3	168.4	0	0	0	0	0	111.7	V138 L139	G122-V138 WeakPolarHBondContact O-CG1 3.5Å; G122-L139 WeakPolarHBondContact CA-O 3.35Å; G122-L139 PolarHBondContact N-O 3.3Å
123	P	59.8	Low	51.5	Low	62 Å²	62	95 Å²	95	40%	0.403	49%	0.493	S	S	.	.			trans	-57.2	149.7	178.4	26.1	-34.1	0	0	0	111.2	P67 I125	P67-P123 HydrophobicContact CG-CG 4.08Å; P123-I125 PolarHBondContact O-N 3.23Å
124	I	57.6	Low	52.6	Low	92 Å²	92	91.1 Å²	91.1	47%	0.472	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	119.8	159.5	-61.1	167.9	0	0	0	105.2	D126 R136 V138	I124-D126 WeakPolarHBondContact CG2-O 3.19Å; I124-R136 HydrophobicContact CD1-CG 4.47Å; I124-R136 HydrophobicContact CG2-CB 4.37Å; I124-V138 HydrophobicContact CG1-CG2 4.26Å
125	I	61.3	Low	53.6	Low	29 Å²	29	85.7 Å²	85.7	15%	0.149	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-38.6	-177.1	-46.3	166.2	0	0	0	109.6	L62 Q65 P123 V137 L139	L62-I125 HydrophobicContact CD1-CD1 4.2Å; L62-I125 HydrophobicContact CD2-CB 3.7Å; L62-I125 HydrophobicContact CD2-CD1 3.41Å; L62-I125 VanDerWaalsContact CD2-CD1 3.41Å; L62-I125 HydrophobicContact CD2-CG1 4.2Å; L62-I125 HydrophobicContact CD2-CG2 3.32Å; L62-I125 HydrophobicContact CG-CD1 4.34Å; Q65-I125 HydrophobicContact CB-CG2 3.88Å; P123-I125 PolarHBondContact O-N 3.23Å; I125-V137 PolarHBondContact N-O 2.98Å; I125-L139 HydrophobicContact CD1-CB 3.66Å; I125-L139 HydrophobicContact CD1-CD1 3.63Å; I125-L139 HydrophobicContact CD1-CG 3.82Å; I125-L139 HydrophobicContact CG1-CB 4.07Å; I125-L139 HydrophobicContact CG1-CD1 4.33Å
126	D	63.3	Low	54.8	Low	46 Å²	46	85 Å²	85	25%	0.246	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	164.7	-178.3	-152	-10.9	0	0	0	110.8	V58 I124 V137	V58-D126 HydrophobicContact CG1-CB 3.6Å; V58-D126 VanDerWaalsContact CG2-OD2 3.27Å; V58-D126 WeakPolarHBondContact CG2-OD2 3.41Å; I124-D126 WeakPolarHBondContact CG2-O 3.19Å; D126-V137 HydrophobicContact CB-CB 4.46Å; D126-V137 PolarHBondContact O-N 3.38Å
127	Q	64.1	Low	55.9	Low	107 Å²	107	78.5 Å²	78.5	50%	0.5	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.6	176.8	-175.6	176.7	-44.1	0	0	109.2	T134 Y135	Q127-T134 HydrophobicContact CG-CG2 3.4Å; Q127-Y135 CarbonylContact C-O 3.49Å; Q127-Y135 VanDerWaalsContact CA-O 3.3Å; Q127-Y135 WeakPolarHBondContact CA-O 3.39Å
128	V	62.7	Low	56.9	Low	9 Å²	9	75.5 Å²	75.5	6%	0.055	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.5	177.9	-178.1	0	0	0	0	108.4	D54 I55 V58 Y135	D54-V128 HydrophobicContact CB-CG1 4.01Å; I55-V128 HydrophobicContact CG1-CB 4.45Å; I55-V128 HydrophobicContact CG1-CG1 4.13Å; I55-V128 HydrophobicContact CG1-CG2 4.43Å; V58-V128 HydrophobicContact CB-CG2 4.09Å; V58-V128 HydrophobicContact CG1-CG2 4.47Å; V58-V128 HydrophobicContact CG2-CG2 3.42Å; V58-V128 VanDerWaalsContact CG2-CG2 3.42Å; V128-Y135 PolarHBondContact N-O 2.89Å; V128-Y135 WeakPolarHBondContact O-CD2 3.49Å; V128-Y135 PolarHBondContact O-N 2.89Å
129	Q	57.8	Low	58.1	Low	138 Å²	138	65.9 Å²	65.9	65%	0.645	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.6	167.8	-169	173	-5	0	0	108.4	G131 Q133	Q129-G131 PolarHBondContact NE2-O 2.92Å; Q129-Q133 WeakPolarHBondContact CA-O 3.33Å
130	A	54.3	Low	59.2	Low	5 Å²	5	59 Å²	59	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.3	168.9	0	0	0	0	0	108.3	V33 N132 Q133 Y135	V33-A130 HydrophobicContact CG2-CB 4.47Å; A130-N132 PolarHBondContact O-N 3.15Å; A130-Q133 PolarHBondContact N-O 3.14Å; A130-Q133 PolarHBondContact O-N 3.15Å; A130-Q133 VanDerWaalsContact O-N 3.15Å; A130-Y135 HydrophobicContact CB-CD2 4.32Å; A130-Y135 HydrophobicContact CB-CE2 3.82Å
131	G	59.9	Low	60.1	Low	30 Å²	30	56.9 Å²	56.9	31%	0.309	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-130.9	-168.6	0	0	0	0	0	112.1	Q129 Q133	Q129-G131 PolarHBondContact NE2-O 2.92Å; G131-Q133 VanDerWaalsContact C-N 3.3Å
132	N	60.9	Low	60.5	Low	169 Å²	169	53 Å²	53	90%	0.904	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.4	177.8	-68.1	-17.7	0	0	0	113.7	A130	A130-N132 PolarHBondContact O-N 3.15Å
133	Q	56	Low	60.5	Low	58 Å²	58	55.7 Å²	55.7	27%	0.271	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.2	-176.9	-71.8	179.8	0.8	0	0	111.9	H31 Q129 A130 G131 Y135	H31-Q133 PolarHBondContact ND1-OE1 2.98Å; H31-Q133 VanDerWaalsContact ND1-OE1 3.16Å; Q129-Q133 WeakPolarHBondContact CA-O 3.33Å; A130-Q133 PolarHBondContact N-O 3.14Å; A130-Q133 PolarHBondContact O-N 3.15Å; A130-Q133 VanDerWaalsContact O-N 3.15Å; G131-Q133 VanDerWaalsContact C-N 3.3Å; Q133-Y135 HydrophobicContact CB-CE2 3.85Å; Q133-Y135 PolarHBondContact OE1-OH 2.89Å
134	T	63	Low	60.2	Low	41 Å²	41	59.9 Å²	59.9	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.8	179.6	-72.5	0	0	0	0	109.8	Q127	Q127-T134 HydrophobicContact CG-CG2 3.4Å
135	Y	61.2	Low	59.8	Low	1 Å²	1	58.1 Å²	58.1	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.4	178	-58.8	-87.2	0	0	0	110.3	H31 L49 V86 D87 D88 Q127 V128 A130 Q133	H31-Y135 WeakPolarHBondContact CB-OH 3.49Å; H31-Y135 AromaticContact CE1-CE1 3.61Å; H31-Y135 VanDerWaalsContact CG-OH 3.24Å; H31-Y135 AromaticContact ND1-CE1 3.54Å; H31-Y135 AromaticContact ND1-CZ 3.63Å; H31-Y135 PolarHBondContact ND1-OH 3.06Å; L49-Y135 HydrophobicContact CD1-CD1 4.39Å; L49-Y135 HydrophobicContact CD1-CE1 3.73Å; L49-Y135 HydrophobicContact CD1-CE2 4.27Å; L49-Y135 HydrophobicContact CD2-CD1 3.91Å; L49-Y135 HydrophobicContact CD2-CE1 3.57Å; L49-Y135 HydrophobicContact CG-CE1 4.3Å; V86-Y135 HydrophobicContact CG1-CD1 3.73Å; V86-Y135 HydrophobicContact CG1-CG 4.21Å; D87-Y135 CarbonylContact O-C 3.5Å; D87-Y135 WeakPolarHBondContact O-CA 3.04Å; D88-Y135 HydrophobicContact CB-CD1 4.18Å; D88-Y135 HydrophobicContact CB-CE1 4.16Å; Q127-Y135 CarbonylContact C-O 3.49Å; Q127-Y135 VanDerWaalsContact CA-O 3.3Å; Q127-Y135 WeakPolarHBondContact CA-O 3.39Å; V128-Y135 PolarHBondContact N-O 2.89Å; V128-Y135 WeakPolarHBondContact O-CD2 3.49Å; V128-Y135 PolarHBondContact O-N 2.89Å; A130-Y135 HydrophobicContact CB-CD2 4.32Å; A130-Y135 HydrophobicContact CB-CE2 3.82Å; Q133-Y135 HydrophobicContact CB-CE2 3.85Å; Q133-Y135 PolarHBondContact OE1-OH 2.89Å
136	R	62.1	Low	59.3	Low	109 Å²	109	60.7 Å²	60.7	41%	0.411	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129	174.2	-67.9	172.8	176.8	173.1	4	109.8	D87 I124 V138	D87-R136 HydrophobicContact CB-CB 4.23Å; D87-R136 PolarHBondContact N-O 2.85Å; D87-R136 PolarHBondContact O-N 2.79Å; I124-R136 HydrophobicContact CD1-CG 4.47Å; I124-R136 HydrophobicContact CG2-CB 4.37Å; R136-V138 HydrophobicContact CB-CG2 4.4Å
137	V	61.5	Low	58.6	Low	1 Å²	1	64.7 Å²	64.7	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.4	177.1	-178.1	0	0	0	0	108.8	V58 L62 V84 L85 I125 D126	V58-V137 HydrophobicContact CG1-CB 4.25Å; V58-V137 HydrophobicContact CG1-CG1 4.23Å; V58-V137 HydrophobicContact CG1-CG2 3.83Å; L62-V137 HydrophobicContact CD1-CG1 3.79Å; L62-V137 HydrophobicContact CD2-CG1 4.16Å; L62-V137 HydrophobicContact CG-CG1 4.48Å; V84-V137 HydrophobicContact CG1-CG1 3.43Å; V84-V137 VanDerWaalsContact CG1-CG1 3.43Å; L85-V137 WeakPolarHBondContact O-CA 3.44Å; I125-V137 PolarHBondContact N-O 2.98Å; D126-V137 HydrophobicContact CB-CB 4.46Å; D126-V137 PolarHBondContact O-N 3.38Å
138	V	63	Low	57.6	Low	9 Å²	9	70.6 Å²	70.6	6%	0.055	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.8	-171.8	-176.3	0	0	0	0	111.1	L85 Y121 G122 I124 R136	L85-V138 HydrophobicContact CB-CB 4.4Å; L85-V138 PolarHBondContact N-O 3.23Å; L85-V138 PolarHBondContact O-N 2.79Å; Y121-V138 HydrophobicContact CD1-CG1 4.27Å; G122-V138 WeakPolarHBondContact O-CG1 3.5Å; I124-V138 HydrophobicContact CG1-CG2 4.26Å; R136-V138 HydrophobicContact CB-CG2 4.4Å
139	L	63.4	Low	56.7	Low	2 Å²	2	71.5 Å²	71.5	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.3	178.7	-142.7	160	0	0	0	111.2	P67 L70 V82 G122 I125	P67-L139 HydrophobicContact CG-CD1 4.38Å; L70-L139 HydrophobicContact CD1-CD1 3.43Å; L70-L139 VanDerWaalsContact CD1-CD1 3.43Å; L70-L139 HydrophobicContact CD1-CD2 3.34Å; L70-L139 HydrophobicContact CD1-CG 3.96Å; V82-L139 HydrophobicContact CB-CD2 4.31Å; V82-L139 HydrophobicContact CG1-CD1 3.97Å; V82-L139 HydrophobicContact CG1-CD2 3.22Å; V82-L139 HydrophobicContact CG1-CG 3.42Å; V82-L139 VanDerWaalsContact CG1-CG 3.42Å; V82-L139 HydrophobicContact CG2-CD2 4.24Å; G122-L139 WeakPolarHBondContact CA-O 3.35Å; G122-L139 PolarHBondContact N-O 3.3Å; I125-L139 HydrophobicContact CD1-CB 3.66Å; I125-L139 HydrophobicContact CD1-CD1 3.63Å; I125-L139 HydrophobicContact CD1-CG 3.82Å; I125-L139 HydrophobicContact CG1-CB 4.07Å; I125-L139 HydrophobicContact CG1-CD1 4.33Å
140	K	63.2	Low	56	Low	71 Å²	71	72.7 Å²	72.7	31%	0.309	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-53.9	-173.9	-150.6	-172.4	-160.6	162.4	0	113.9	S83 L85 E120	S83-K140 PolarHBondContact O-N 2.85Å; L85-K140 HydrophobicContact CD1-CB 3.7Å; L85-K140 HydrophobicContact CD1-CD 3.51Å; L85-K140 HydrophobicContact CD1-CG 3.58Å; L85-K140 HydrophobicContact CD2-CD 4.36Å; L85-K140 HydrophobicContact CG-CB 4.02Å; L85-K140 HydrophobicContact CG-CD 4.17Å; L85-K140 HydrophobicContact CG-CG 4.36Å; E120-K140 VanDerWaalsContact O-CG 3.23Å; E120-K140 WeakPolarHBondContact O-CG 3.13Å
141	Q	63.4	Low	55.6	Low	107 Å²	107	80.8 Å²	80.8	50%	0.5	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	159.6	-170.6	-151.8	175.3	6.6	0	0	113.7	S83	S83-Q141 PolarHBondContact N-O 3.39Å
142	L	56.1	Low	54.6	Low	7 Å²	7	81.6 Å²	81.6	4%	0.037	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	116	163.1	-64.8	171	0	0	0	112	L70 K73 A74 R79 Y81 V82 I100	L70-L142 HydrophobicContact CD2-CD1 4.3Å; L70-L142 HydrophobicContact CD2-CG 4.11Å; K73-L142 HydrophobicContact CB-CD1 3.76Å; K73-L142 HydrophobicContact CD-CD1 4.01Å; K73-L142 HydrophobicContact CG-CD1 3.7Å; A74-L142 HydrophobicContact CB-CD1 3.95Å; A74-L142 HydrophobicContact CB-CD2 4.03Å; R79-L142 HydrophobicContact CB-CB 3.95Å; R79-L142 PolarHBondContact NH1-O 3.05Å; Y81-L142 CarbonylContact O-C 3.59Å; Y81-L142 WeakPolarHBondContact O-CA 3.02Å; V82-L142 HydrophobicContact CG2-CD2 3.59Å; I100-L142 HydrophobicContact CD1-CD2 3.86Å
143	K	57	Low	53.5	Low	77 Å²	77	79.9 Å²	79.9	34%	0.335	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	155.9	172.8	-73.6	-170.3	170.2	180	0	111.2	R79 Y81 S83	R79-K143 WeakPolarHBondContact CB-O 3.45Å; Y81-K143 PolarHBondContact O-N 3.26Å; S83-K143 VanDerWaalsContact OG-CD 3.26Å; S83-K143 WeakPolarHBondContact OG-CD 3.11Å; S83-K143 WeakPolarHBondContact OG-CE 3.42Å; S83-K143 WeakPolarHBondContact OG-CG 3.34Å
144	K	52.2	Low	52.7	Low	150 Å²	150	81.3 Å²	81.3	65%	0.652	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-65.7	149.7	158.8	-71.3	-172.9	177.2	-173.8	0	108.1	R79 V146	R79-K144 HydrophobicContact CG-CG 4.31Å; K144-V146 PolarHBondContact O-N 2.84Å
145	P	50.5	Low	51.6	Low	55 Å²	55	88.4 Å²	88.4	36%	0.357	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-46.9	136	166.2	14.4	-24.8	0	0	0	109.2	Y81	Y81-P145 HydrophobicContact CD2-CB 3.81Å; Y81-P145 HydrophobicContact CD2-CG 4.3Å; Y81-P145 HydrophobicContact CE2-CB 3.47Å; Y81-P145 VanDerWaalsContact CE2-CB 3.47Å; Y81-P145 HydrophobicContact CE2-CG 4.11Å
146	V	50.1	Low	50.3	Low	83 Å²	83	94.5 Å²	94.5	50%	0.503	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-62.9	133.4	164.4	-178.6	0	0	0	0	105.5	K144 R148 D149	K144-V146 PolarHBondContact O-N 2.84Å; V146-R148 PolarHBondContact O-N 3.29Å; V146-D149 PolarHBondContact O-N 3.49Å
147	P	47.6	Very low	49	Very low	130 Å²	130	96.9 Å²	96.9	84%	0.844	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-2.6	-175.4	-25.7	33.3	0	0	0	116.2
148	R	43.4	Very low	47.6	Very low	230 Å²	230	101.7 Å²	101.7	87%	0.868	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	35.8	-177.2	-65.2	-173.9	176.5	-178.7	-2.8	112.2	V146 E150	V146-R148 PolarHBondContact O-N 3.29Å; R148-E150 PolarHBondContact O-N 3.09Å
149	D	44.2	Very low	46.2	Very low	29 Å²	29	106.4 Å²	106.4	16%	0.155	54%	0.536	C	S	.	.			trans	-74.1	107.7	162.3	-149.3	-28.1	0	0	0	106.2	V146 R151 D152	V146-D149 PolarHBondContact O-N 3.49Å; D149-R151 PolarHBondContact O-N 3.31Å; D149-R151 IonicContact OD1-CZ 3.72Å; D149-R151 IonicContact OD1-NE 3.27Å; D149-R151 PolarHBondContact OD1-NE 2.88Å; D149-R151 IonicContact OD1-NH2 3.49Å; D149-R151 PolarHBondContact OD1-NH2 3.36Å; D149-R151 IonicContact OD2-CZ 2.68Å; D149-R151 IonicContact OD2-NE 3.31Å; D149-R151 IonicContact OD2-NH2 3.52Å; D149-R151 PolarHBondContact OD2-NH2 3.01Å; D149-D152 WeakPolarHBondContact O-CA 3.32Å; D149-D152 WeakPolarHBondContact O-CB 3.47Å; D149-D152 PolarHBondContact O-N 2.97Å
150	E	43.4	Very low	45.7	Very low	162 Å²	162	112 Å²	112	76%	0.757	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-58.6	-17.4	177.9	-69.2	175.7	163.8	0	0	112.1	R148 D152 L153	R148-E150 PolarHBondContact O-N 3.09Å; E150-D152 PolarHBondContact O-N 3.08Å; E150-L153 HydrophobicContact CB-CD1 4.29Å; E150-L153 WeakPolarHBondContact O-CB 3.49Å; E150-L153 WeakPolarHBondContact O-CD1 3.34Å; E150-L153 PolarHBondContact O-N 2.97Å; E150-L153 VanDerWaalsContact O-N 3.17Å
151	R	45.4	Very low	44.5	Very low	175 Å²	175	111.1 Å²	111.1	66%	0.66	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-66.3	-13.2	170	-69.1	178.7	-79.8	-173.8	-3.1	114	D149	D149-R151 PolarHBondContact O-N 3.31Å; D149-R151 IonicContact OD1-CZ 3.72Å; D149-R151 IonicContact OD1-NE 3.27Å; D149-R151 PolarHBondContact OD1-NE 2.88Å; D149-R151 IonicContact OD1-NH2 3.49Å; D149-R151 PolarHBondContact OD1-NH2 3.36Å; D149-R151 IonicContact OD2-CZ 2.68Å; D149-R151 IonicContact OD2-NE 3.31Å; D149-R151 IonicContact OD2-NH2 3.52Å; D149-R151 PolarHBondContact OD2-NH2 3.01Å
152	D	39.7	Very low	43.5	Very low	48 Å²	48	108.1 Å²	108.1	26%	0.257	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-107.2	12.3	176.4	-109.8	1.4	0	0	0	112.5	Y81 K99 D149 E150 P154	Y81-D152 WeakPolarHBondContact CE2-OD2 3.32Å; Y81-D152 VanDerWaalsContact CZ-OD2 3.32Å; Y81-D152 PolarHBondContact OH-OD1 2.95Å; Y81-D152 PolarHBondContact OH-OD2 2.87Å; K99-D152 IonicContact NZ-OD1 3.4Å; K99-D152 PolarHBondContact NZ-OD1 2.83Å; D149-D152 WeakPolarHBondContact O-CA 3.32Å; D149-D152 WeakPolarHBondContact O-CB 3.47Å; D149-D152 PolarHBondContact O-N 2.97Å; E150-D152 PolarHBondContact O-N 3.08Å; D152-P154 WeakPolarHBondContact O-CD 3.11Å
153	L	37.8	Very low	43.3	Very low	132 Å²	132	114.4 Å²	114.4	69%	0.691	59%	0.587	S	S	*	*			trans	-47.6	109.3	164.9	-91.4	155.4	0	0	0	107.4	E150 Q155	E150-L153 HydrophobicContact CB-CD1 4.29Å; E150-L153 WeakPolarHBondContact O-CB 3.49Å; E150-L153 WeakPolarHBondContact O-CD1 3.34Å; E150-L153 PolarHBondContact O-N 2.97Å; E150-L153 VanDerWaalsContact O-N 3.17Å; L153-Q155 PolarHBondContact O-N 3.16Å
154	P	38.9	Very low	42.9	Very low	89 Å²	89	117.2 Å²	117.2	58%	0.578	60%	0.601	S	S	*	*			trans	-66	111.6	176.2	-8.6	23.7	0	0	0	104.9	D152 D156	D152-P154 WeakPolarHBondContact O-CD 3.11Å; P154-D156 PolarHBondContact O-N 3.27Å
155	Q	40.1	Very low	42.7	Very low	190 Å²	190	114.1 Å²	114.1	89%	0.888	59%	0.589	S	S	*	*	S	Bend	trans	-62	103.5	150.1	-79.3	-174.4	-24.7	0	0	104.4	L153	L153-Q155 PolarHBondContact O-N 3.16Å
156	D	33.5	Very low	42.4	Very low	129 Å²	129	115.5 Å²	115.5	69%	0.69	59%	0.593	S	S	*	*	S	Bend	trans	69.9	123.8	178.4	-54.4	-40.4	0	0	0	116.9	P154 V158	P154-D156 PolarHBondContact O-N 3.27Å; D156-V158 HydrophobicContact CB-CG2 3.98Å; D156-V158 PolarHBondContact O-N 2.76Å
157	N	34	Very low	42	Very low	159 Å²	159	114 Å²	114	85%	0.85	59%	0.587	S	S	*	*			trans	-63.8	57	166.5	-78.2	-43	0	0	0	111.2	P159	N157-P159 WeakPolarHBondContact O-CD 3.42Å
158	V	32.1	Very low	41.7	Very low	102 Å²	102	114.8 Å²	114.8	62%	0.618	58%	0.579	S	S	*	*			trans	-86.5	116.1	167.4	-169.8	0	0	0	0	106.5	D156 I160	D156-V158 HydrophobicContact CB-CG2 3.98Å; D156-V158 PolarHBondContact O-N 2.76Å; V158-I160 PolarHBondContact O-N 2.85Å
159	P	33.6	Very low	41.5	Very low	107 Å²	107	110.9 Å²	110.9	70%	0.695	57%	0.568	S	S	*	*			trans	-53.1	119.6	167.3	16.5	-23.1	0	0	0	107.7	N157 M161	N157-P159 WeakPolarHBondContact O-CD 3.42Å; P159-M161 PolarHBondContact O-N 3.14Å
160	I	53.2	Low	41.2	Very low	121 Å²	121	116.5 Å²	116.5	62%	0.621	60%	0.597	S	S	*	*	S	Bend	trans	-60.7	-19	-163.8	-69.6	171.6	0	0	0	112.8	V158	V158-I160 PolarHBondContact O-N 2.85Å
161	M	38.4	Very low	40.6	Very low	51 Å²	51	113.5 Å²	113.5	25%	0.251	59%	0.586	S	S	.	*	S	Bend	trans	-152.3	146.7	169.9	-89	168	-81.1	0	0	110.3	R102 P159 E165 F169	R102-M161 VanDerWaalsContact NH2-CE 3.32Å; P159-M161 PolarHBondContact O-N 3.14Å; M161-E165 WeakPolarHBondContact CA-OE2 3.43Å; M161-E165 HydrophobicContact CB-CB 3.88Å; M161-E165 VanDerWaalsContact CB-OE2 3.3Å; M161-E165 WeakPolarHBondContact CB-OE2 3.32Å; M161-E165 HydrophobicContact CG-CB 3.88Å; M161-E165 HydrophobicContact CG-CG 4.43Å; M161-E165 VanDerWaalsContact CG-OE2 3.24Å; M161-E165 WeakPolarHBondContact CG-OE2 3.49Å; M161-E165 HydrophobicContact SD-CB 4.45Å; M161-F169 HydrophobicContact SD-CD2 4.19Å; M161-F169 HydrophobicContact SD-CE2 3.88Å
162	S	43.2	Very low	40	Very low	44 Å²	44	112.9 Å²	112.9	31%	0.308	59%	0.594	S	S	.	*			trans	-71.2	162.7	172	85.7	0	0	0	0	111.1	E164 E165 L166	S162-E164 PolarHBondContact O-N 2.7Å; S162-E164 WeakPolarHBondContact OG-CB 3.37Å; S162-E164 PolarHBondContact OG-N 3.11Å; S162-E164 PolarHBondContact OG-OE2 2.88Å; S162-E165 PolarHBondContact N-OE2 3.15Å; S162-E165 PolarHBondContact O-N 3.09Å; S162-E165 VanDerWaalsContact O-N 3.16Å; S162-E165 PolarHBondContact OG-N 3.44Å; S162-L166 PolarHBondContact O-N 2.75Å
163	N	51.2	Low	39.5	Very low	139 Å²	139	117 Å²	117	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-58.9	-28.2	173.1	-86.6	-13.2	0	0	0	111.9	S167	N163-S167 WeakPolarHBondContact O-CB 3.32Å; N163-S167 PolarHBondContact O-N 3.09Å; N163-S167 PolarHBondContact O-OG 2.89Å
164	E	48.1	Very low	39.3	Very low	137 Å²	137	122.1 Å²	122.1	64%	0.64	65%	0.645	S	S	*	*	H	α-helix	trans	-67.9	-45.6	174.9	-63.7	127.5	166.3	0	0	110.9	S162 L166 S167 E168	S162-E164 PolarHBondContact O-N 2.7Å; S162-E164 WeakPolarHBondContact OG-CB 3.37Å; S162-E164 PolarHBondContact OG-N 3.11Å; S162-E164 PolarHBondContact OG-OE2 2.88Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.45Å; E164-S167 WeakPolarHBondContact CA-OG 3.3Å; E164-S167 PolarHBondContact O-N 3.36Å; E164-S167 PolarHBondContact O-OG 3.35Å; E164-E168 PolarHBondContact O-N 3.32Å
165	E	47.9	Very low	39.3	Very low	84 Å²	84	123.8 Å²	123.8	39%	0.393	65%	0.648	S	S	.	*	H	α-helix	trans	-61.6	-40.4	175.2	-72.9	177.9	123.6	0	0	111.5	M161 S162 S167 E168 F169	M161-E165 WeakPolarHBondContact CA-OE2 3.43Å; M161-E165 HydrophobicContact CB-CB 3.88Å; M161-E165 VanDerWaalsContact CB-OE2 3.3Å; M161-E165 WeakPolarHBondContact CB-OE2 3.32Å; M161-E165 HydrophobicContact CG-CB 3.88Å; M161-E165 HydrophobicContact CG-CG 4.43Å; M161-E165 VanDerWaalsContact CG-OE2 3.24Å; M161-E165 WeakPolarHBondContact CG-OE2 3.49Å; M161-E165 HydrophobicContact SD-CB 4.45Å; S162-E165 PolarHBondContact N-OE2 3.15Å; S162-E165 PolarHBondContact O-N 3.09Å; S162-E165 VanDerWaalsContact O-N 3.16Å; S162-E165 PolarHBondContact OG-N 3.44Å; E165-S167 VanDerWaalsContact C-N 3.29Å; E165-S167 PolarHBondContact O-N 3.23Å; E165-E168 PolarHBondContact O-N 3.11Å; E165-F169 WeakPolarHBondContact O-CD2 3.22Å; E165-F169 PolarHBondContact O-N 3.43Å
166	L	43.7	Very low	39.3	Very low	84 Å²	84	120.3 Å²	120.3	44%	0.44	64%	0.635	S	S	.	*	H	α-helix	trans	-62.7	-36.1	173.8	-75.2	171.7	0	0	0	112.4	S162 E164 F169 L170	S162-L166 PolarHBondContact O-N 2.75Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.45Å; L166-F169 PolarHBondContact O-N 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 PolarHBondContact O-N 2.97Å; L166-L170 VanDerWaalsContact O-N 3.07Å
167	S	42.1	Very low	39.6	Very low	53 Å²	53	119.8 Å²	119.8	37%	0.371	63%	0.632	S	S	.	*	H	α-helix	trans	-70.8	-37.5	177.3	71.4	0	0	0	0	112.5	N163 E164 E165 F169 L170 I171	N163-S167 WeakPolarHBondContact O-CB 3.32Å; N163-S167 PolarHBondContact O-N 3.09Å; N163-S167 PolarHBondContact O-OG 2.89Å; E164-S167 WeakPolarHBondContact CA-OG 3.3Å; E164-S167 PolarHBondContact O-N 3.36Å; E164-S167 PolarHBondContact O-OG 3.35Å; E165-S167 VanDerWaalsContact C-N 3.29Å; E165-S167 PolarHBondContact O-N 3.23Å; S167-F169 PolarHBondContact O-N 2.97Å; S167-L170 PolarHBondContact O-N 2.87Å; S167-L170 VanDerWaalsContact O-N 3.16Å; S167-I171 VanDerWaalsContact O-CG1 3.24Å; S167-I171 WeakPolarHBondContact O-CG1 3.26Å; S167-I171 PolarHBondContact O-N 3.01Å
168	E	41.1	Very low	40	Very low	146 Å²	146	117.5 Å²	117.5	68%	0.682	62%	0.619	S	S	*	*	H	α-helix	trans	-62.2	-30.9	172.6	-72.5	-175.7	177.7	0	0	112.5	E164 E165	E164-E168 PolarHBondContact O-N 3.32Å; E165-E168 PolarHBondContact O-N 3.11Å
169	F	40.5	Very low	40.5	Very low	148 Å²	148	118.4 Å²	118.4	65%	0.649	62%	0.62	S	S	*	*	H	α-helix	trans	-84.7	-20.3	175.2	-73.5	-67.6	0	0	0	114.4	M161 E165 L166 S167	M161-F169 HydrophobicContact SD-CD2 4.19Å; M161-F169 HydrophobicContact SD-CE2 3.88Å; E165-F169 WeakPolarHBondContact O-CD2 3.22Å; E165-F169 PolarHBondContact O-N 3.43Å; L166-F169 PolarHBondContact O-N 3.3Å; S167-F169 PolarHBondContact O-N 2.97Å
170	L	37.4	Very low	40.9	Very low	146 Å²	146	119.2 Å²	119.2	76%	0.764	62%	0.615	S	S	*	*	H	α-helix	trans	-88.2	-20.5	176.4	-90.8	158	0	0	0	112.7	L166 S167 L172	L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 PolarHBondContact O-N 2.97Å; L166-L170 VanDerWaalsContact O-N 3.07Å; S167-L170 PolarHBondContact O-N 2.87Å; S167-L170 VanDerWaalsContact O-N 3.16Å; L170-L172 VanDerWaalsContact C-N 3.26Å; L170-L172 PolarHBondContact O-N 2.9Å; L170-L172 VanDerWaalsContact O-N 3.09Å
171	I	29.6	Very low	40	Very low	99 Å²	99	119.1 Å²	119.1	51%	0.508	61%	0.614	S	S	.	*			trans	-84.7	74.6	170.8	-55.3	161.9	0	0	0	108.4	S167 N173	S167-I171 VanDerWaalsContact O-CG1 3.24Å; S167-I171 WeakPolarHBondContact O-CG1 3.26Å; S167-I171 PolarHBondContact O-N 3.01Å; I171-N173 VanDerWaalsContact C-N 3.28Å; I171-N173 HydrophobicContact CG2-CB 4.35Å; I171-N173 WeakPolarHBondContact CG2-OD1 3.42Å; I171-N173 PolarHBondContact O-N 2.6Å
172	L	32.8	Very low	40.2	Very low	162 Å²	162	124.3 Å²	124.3	85%	0.848	64%	0.642	S	S	*	*			trans	-82.4	91.7	142.2	-83.5	161.5	0	0	0	104.9	L170	L170-L172 VanDerWaalsContact C-N 3.26Å; L170-L172 PolarHBondContact O-N 2.9Å; L170-L172 VanDerWaalsContact O-N 3.09Å
173	N	31.1	Very low	39.9	Very low	136 Å²	136	131 Å²	131	73%	0.727	67%	0.67	S	S	*	*			trans	-58.3	136.5	160.6	-80.6	-25.1	0	0	0	107.9	I171	I171-N173 VanDerWaalsContact C-N 3.28Å; I171-N173 HydrophobicContact CG2-CB 4.35Å; I171-N173 WeakPolarHBondContact CG2-OD1 3.42Å; I171-N173 PolarHBondContact O-N 2.6Å
174	D	33.2	Very low	38.9	Very low	238 Å²	238	130.3 Å²	130.3	100%	1.273	66%	0.663	S	S	*	*			trans	-45.8	0	157.3	-82.9	-40.9	0	0	0	111.9

Retrieved 174 of 174 residues in 34.8 ms (Link to these results)

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