A0A077ZAK3_TRITR Loading...

GoLoco domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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	39.1	Very low	50.4	Low	220 Å²	220	118 Å²	118	100%	1.084	57%	0.569	S	S	*	*				0	135.9	0	-78.6	175.6	166.8	0	0	109.8
2	R	47	Very low	51	Low	241 Å²	241	111.2 Å²	111.2	91%	0.909	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-92.5	117.1	172.3	-71.8	-179.9	-178.6	161.9	1.5	108.2	T4	R2-T4 PolarHBondContact O-N 3.03Å
3	F	49.2	Very low	51.2	Low	113 Å²	113	104.7 Å²	104.7	50%	0.496	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-65.7	133.9	171.4	-69.1	-77.5	0	0	0	110.2	Q7 R8	F3-Q7 HydrophobicContact CB-CB 4.35Å; F3-Q7 HydrophobicContact CD1-CB 4.2Å; F3-R8 HydrophobicContact CB-CG 3.98Å; F3-R8 PolarHBondContact O-NE 3.37Å; F3-R8 VanDerWaalsContact O-NE 3.16Å; F3-R8 PolarHBondContact O-NH2 3.06Å; F3-R8 VanDerWaalsContact O-NH2 3.13Å
4	T	53	Low	51.6	Low	78 Å²	78	109.6 Å²	109.6	48%	0.479	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-67.4	154.7	172.9	68.6	0	0	0	0	109.9	R2 K6 Q7 R8	R2-T4 PolarHBondContact O-N 3.03Å; T4-K6 PolarHBondContact O-N 3.21Å; T4-Q7 WeakPolarHBondContact O-CB 3.4Å; T4-Q7 PolarHBondContact O-N 3.05Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.33Å; T4-Q7 PolarHBondContact OG1-N 3.07Å; T4-R8 PolarHBondContact O-N 3.32Å
5	T	51.6	Low	52.3	Low	110 Å²	110	105.7 Å²	105.7	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-52.9	-41.9	178.2	-49.5	0	0	0	0	111.3	Q7 R8 T9	T5-Q7 PolarHBondContact O-N 3.05Å; T5-R8 WeakPolarHBondContact O-CB 3.4Å; T5-R8 PolarHBondContact O-N 3.26Å; T5-R8 VanDerWaalsContact O-N 3.14Å; T5-T9 PolarHBondContact O-N 3.17Å; T5-T9 PolarHBondContact O-OG1 3.2Å
6	K	50.8	Low	52.7	Low	182 Å²	182	100.9 Å²	100.9	79%	0.791	48%	0.482	S	S	*	.	H	α-helix	trans	-59.3	-41.2	176.8	-68.8	-173.7	177.7	-177	0	113.3	T4 R8 S10	T4-K6 PolarHBondContact O-N 3.21Å; K6-R8 VanDerWaalsContact C-N 3.32Å; K6-S10 WeakPolarHBondContact O-CB 3.31Å; K6-S10 PolarHBondContact O-N 3.3Å
7	Q	50.9	Low	53.1	Low	92 Å²	92	102.9 Å²	102.9	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-65.6	-37.9	177.3	-73.8	170.8	-27.5	0	0	111.4	F3 T4 T5 S10 L11	F3-Q7 HydrophobicContact CB-CB 4.35Å; F3-Q7 HydrophobicContact CD1-CB 4.2Å; T4-Q7 WeakPolarHBondContact O-CB 3.4Å; T4-Q7 PolarHBondContact O-N 3.05Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.33Å; T4-Q7 PolarHBondContact OG1-N 3.07Å; T5-Q7 PolarHBondContact O-N 3.05Å; Q7-S10 PolarHBondContact O-N 2.94Å; Q7-L11 WeakPolarHBondContact O-CB 3.08Å; Q7-L11 WeakPolarHBondContact O-CG 3.2Å; Q7-L11 PolarHBondContact O-N 2.93Å
8	R	52.3	Low	53.2	Low	82 Å²	82	104.9 Å²	104.9	31%	0.309	49%	0.49	S	S	.	.	H	α-helix	trans	-67.8	-44	178.4	-60.9	-179.7	-164	-167	4.5	112	F3 T4 T5 K6 S10 L11 F12	F3-R8 HydrophobicContact CB-CG 3.98Å; F3-R8 PolarHBondContact O-NE 3.37Å; F3-R8 VanDerWaalsContact O-NE 3.16Å; F3-R8 PolarHBondContact O-NH2 3.06Å; F3-R8 VanDerWaalsContact O-NH2 3.13Å; T4-R8 PolarHBondContact O-N 3.32Å; T5-R8 WeakPolarHBondContact O-CB 3.4Å; T5-R8 PolarHBondContact O-N 3.26Å; T5-R8 VanDerWaalsContact O-N 3.14Å; K6-R8 VanDerWaalsContact C-N 3.32Å; R8-S10 VanDerWaalsContact C-N 3.33Å; R8-S10 PolarHBondContact O-N 3.09Å; R8-L11 PolarHBondContact O-N 3.02Å; R8-F12 WeakPolarHBondContact O-CB 3.11Å; R8-F12 PolarHBondContact O-N 2.89Å
9	T	51.5	Low	53.2	Low	59 Å²	59	103.2 Å²	103.2	36%	0.362	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-39	176.9	-5.8	0	0	0	0	111.5	T5 F12 A13	T5-T9 PolarHBondContact O-N 3.17Å; T5-T9 PolarHBondContact O-OG1 3.2Å; T9-F12 PolarHBondContact O-N 3.25Å; T9-A13 VanDerWaalsContact O-CB 3.24Å; T9-A13 WeakPolarHBondContact O-CB 3.42Å; T9-A13 PolarHBondContact O-N 3.26Å
10	S	52.9	Low	52.9	Low	54 Å²	54	103.6 Å²	103.6	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-44.5	176.6	-173.5	0	0	0	0	112.5	K6 Q7 R8 A13 R14	K6-S10 WeakPolarHBondContact O-CB 3.31Å; K6-S10 PolarHBondContact O-N 3.3Å; Q7-S10 PolarHBondContact O-N 2.94Å; R8-S10 VanDerWaalsContact C-N 3.33Å; R8-S10 PolarHBondContact O-N 3.09Å; S10-A13 PolarHBondContact O-N 3.29Å; S10-R14 WeakPolarHBondContact O-CG 3.38Å; S10-R14 PolarHBondContact O-N 3.46Å
11	L	56.5	Low	52.5	Low	67 Å²	67	102.7 Å²	102.7	35%	0.351	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-43	175.3	-82.3	159.4	0	0	0	111.8	Q7 R8 R14 F15 Y99	Q7-L11 WeakPolarHBondContact O-CB 3.08Å; Q7-L11 WeakPolarHBondContact O-CG 3.2Å; Q7-L11 PolarHBondContact O-N 2.93Å; R8-L11 PolarHBondContact O-N 3.02Å; L11-R14 PolarHBondContact O-N 3.12Å; L11-F15 WeakPolarHBondContact O-CB 3.36Å; L11-F15 PolarHBondContact O-N 3.06Å; L11-Y99 HydrophobicContact CD2-CE1 3.96Å
12	F	56.9	Low	52.8	Low	36 Å²	36	97.5 Å²	97.5	16%	0.158	46%	0.459	C	S	.	.	H	α-helix	trans	-63.7	-45.7	176.7	-173.7	-87.6	0	0	0	111.9	R8 T9 R14 F15 C16 V44 V66	R8-F12 WeakPolarHBondContact O-CB 3.11Å; R8-F12 PolarHBondContact O-N 2.89Å; T9-F12 PolarHBondContact O-N 3.25Å; F12-R14 VanDerWaalsContact C-N 3.31Å; F12-R14 PolarHBondContact O-N 3.43Å; F12-F15 PolarHBondContact O-N 3.06Å; F12-F15 VanDerWaalsContact O-N 3.17Å; F12-C16 HydrophobicContact CE1-CB 4.46Å; F12-C16 WeakPolarHBondContact CE1-SG 3.21Å; F12-C16 WeakPolarHBondContact CZ-SG 3.42Å; F12-C16 PolarHBondContact O-N 3.1Å; F12-V44 HydrophobicContact CD1-CG1 3.81Å; F12-V44 HydrophobicContact CE1-CB 4.48Å; F12-V44 HydrophobicContact CE1-CG1 3.23Å; F12-V44 HydrophobicContact CE1-CG2 4.46Å; F12-V44 HydrophobicContact CZ-CG1 4.1Å; F12-V66 HydrophobicContact CD2-CG1 3.37Å; F12-V66 HydrophobicContact CE2-CG1 3.44Å; F12-V66 VanDerWaalsContact CE2-CG1 3.44Å
13	A	54.1	Low	52.6	Low	27 Å²	27	92.4 Å²	92.4	22%	0.223	44%	0.443	C	S	.	.	H	α-helix	trans	-57.5	-43.6	176	0	0	0	0	0	111.8	T9 S10 K17 W41	T9-A13 VanDerWaalsContact O-CB 3.24Å; T9-A13 WeakPolarHBondContact O-CB 3.42Å; T9-A13 PolarHBondContact O-N 3.26Å; S10-A13 PolarHBondContact O-N 3.29Å; A13-K17 VanDerWaalsContact O-CB 3.23Å; A13-K17 WeakPolarHBondContact O-CB 3.46Å; A13-K17 PolarHBondContact O-N 3.38Å; A13-W41 HydrophobicContact CB-CH2 3.68Å; A13-W41 HydrophobicContact CB-CZ3 3.91Å
14	R	57.2	Low	52	Low	173 Å²	173	90.8 Å²	90.8	65%	0.653	45%	0.446	S	S	*	.	H	α-helix	trans	-64.8	-42.6	175.7	-73.2	178	-178	-166.6	-0.4	112	S10 L11 F12 R18	S10-R14 WeakPolarHBondContact O-CG 3.38Å; S10-R14 PolarHBondContact O-N 3.46Å; L11-R14 PolarHBondContact O-N 3.12Å; F12-R14 VanDerWaalsContact C-N 3.31Å; F12-R14 PolarHBondContact O-N 3.43Å; R14-R18 WeakPolarHBondContact O-CB 3.47Å; R14-R18 PolarHBondContact O-N 2.87Å; R14-R18 VanDerWaalsContact O-N 3.07Å
15	F	61.5	Low	51.6	Low	51 Å²	51	93.4 Å²	93.4	22%	0.224	45%	0.45	C	S	.	.	H	α-helix	trans	-62.6	-48.6	178.1	-175.4	-94.1	0	0	0	112	L11 F12 R18 R19 I62 V66	L11-F15 WeakPolarHBondContact O-CB 3.36Å; L11-F15 PolarHBondContact O-N 3.06Å; F12-F15 PolarHBondContact O-N 3.06Å; F12-F15 VanDerWaalsContact O-N 3.17Å; F15-R18 PolarHBondContact O-N 2.95Å; F15-R19 WeakPolarHBondContact O-CB 3.48Å; F15-R19 PolarHBondContact O-N 2.71Å; F15-I62 HydrophobicContact CE1-CG2 4.45Å; F15-I62 HydrophobicContact CE2-CG2 4.4Å; F15-I62 HydrophobicContact CZ-CG2 3.62Å; F15-V66 HydrophobicContact CD1-CG1 4.37Å; F15-V66 HydrophobicContact CD1-CG2 4.16Å; F15-V66 HydrophobicContact CE1-CG2 3.83Å; F15-V66 HydrophobicContact CE2-CG2 4.44Å; F15-V66 HydrophobicContact CZ-CG2 4Å
16	C	58.1	Low	51.2	Low	29 Å²	29	93.9 Å²	93.9	20%	0.196	45%	0.453	C	S	.	.	H	α-helix	trans	-66.3	-43	179.4	-71.1	0	0	0	0	112.3	F12 R18 R19 L20	F12-C16 HydrophobicContact CE1-CB 4.46Å; F12-C16 WeakPolarHBondContact CE1-SG 3.21Å; F12-C16 WeakPolarHBondContact CZ-SG 3.42Å; F12-C16 PolarHBondContact O-N 3.1Å; C16-R18 VanDerWaalsContact C-N 3.34Å; C16-R18 PolarHBondContact O-N 2.96Å; C16-R19 PolarHBondContact O-N 2.95Å; C16-L20 WeakPolarHBondContact O-CB 3.27Å; C16-L20 PolarHBondContact O-N 3.07Å
17	K	59.4	Low	50.7	Low	136 Å²	136	87.2 Å²	87.2	59%	0.591	43%	0.432	S	S	*	.	H	α-helix	trans	-60	-44.5	177.3	-171.9	170.7	-175.8	176.4	0	111.4	A13 L21	A13-K17 VanDerWaalsContact O-CB 3.23Å; A13-K17 WeakPolarHBondContact O-CB 3.46Å; A13-K17 PolarHBondContact O-N 3.38Å; K17-L21 HydrophobicContact CG-CD1 4.17Å; K17-L21 WeakPolarHBondContact O-CB 3.1Å; K17-L21 WeakPolarHBondContact O-CD1 3.17Å; K17-L21 PolarHBondContact O-N 3.22Å; K17-L21 VanDerWaalsContact O-N 3.16Å
18	R	54.7	Low	50.1	Low	138 Å²	138	89.5 Å²	89.5	52%	0.521	45%	0.452	S	S	.	.	H	α-helix	trans	-67.1	-41.3	179.2	-153.4	168	-175	-172.9	-0.5	111.3	R14 F15 C16 L21 L22 E98	R14-R18 WeakPolarHBondContact O-CB 3.47Å; R14-R18 PolarHBondContact O-N 2.87Å; R14-R18 VanDerWaalsContact O-N 3.07Å; F15-R18 PolarHBondContact O-N 2.95Å; C16-R18 VanDerWaalsContact C-N 3.34Å; C16-R18 PolarHBondContact O-N 2.96Å; R18-L21 PolarHBondContact O-N 2.82Å; R18-L22 HydrophobicContact CG-CD1 3.93Å; R18-L22 WeakPolarHBondContact O-CD1 3.49Å; R18-L22 PolarHBondContact O-N 2.88Å; R18-E98 IonicContact CZ-OE1 3.23Å; R18-E98 VanDerWaalsContact CZ-OE1 3.23Å; R18-E98 VanDerWaalsContact NH1-CD 3.33Å; R18-E98 IonicContact NH1-OE1 2.67Å; R18-E98 PolarHBondContact NH1-OE1 3.48Å; R18-E98 IonicContact NH1-OE2 3.3Å; R18-E98 PolarHBondContact NH1-OE2 3.46Å; R18-E98 IonicContact NH2-OE1 2.88Å; R18-E98 PolarHBondContact NH2-OE1 2.92Å
19	R	54.6	Low	49.1	Very low	72 Å²	72	89.2 Å²	89.2	27%	0.272	48%	0.475	S	S	.	.	H	α-helix	trans	-71.5	-34.2	-179.3	-162.6	171.3	-173	164.2	3.9	114	F15 C16 L22 K23	F15-R19 WeakPolarHBondContact O-CB 3.48Å; F15-R19 PolarHBondContact O-N 2.71Å; C16-R19 PolarHBondContact O-N 2.95Å; R19-L22 PolarHBondContact O-N 2.67Å; R19-K23 PolarHBondContact O-N 3.15Å; R19-K23 VanDerWaalsContact O-N 3.09Å
20	L	46.8	Very low	48.1	Very low	112 Å²	112	89.5 Å²	89.5	59%	0.586	49%	0.49	S	S	*	.	H	α-helix	trans	-65.5	-40.4	171.7	-79.3	162.8	0	0	0	111.3	C16 K23 S24	C16-L20 WeakPolarHBondContact O-CB 3.27Å; C16-L20 PolarHBondContact O-N 3.07Å; L20-K23 PolarHBondContact O-N 3.33Å; L20-S24 PolarHBondContact O-N 3.07Å
21	L	44.5	Very low	47	Very low	85 Å²	85	95 Å²	95	45%	0.445	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-35.4	174.5	-87.1	156.7	0	0	0	113.3	K17 R18 S24 K25	K17-L21 HydrophobicContact CG-CD1 4.17Å; K17-L21 WeakPolarHBondContact O-CB 3.1Å; K17-L21 WeakPolarHBondContact O-CD1 3.17Å; K17-L21 PolarHBondContact O-N 3.22Å; K17-L21 VanDerWaalsContact O-N 3.16Å; R18-L21 PolarHBondContact O-N 2.82Å; L21-S24 PolarHBondContact O-OG 3.49Å; L21-K25 PolarHBondContact O-N 3.3Å
22	L	45.2	Very low	45.8	Very low	111 Å²	111	102.3 Å²	102.3	58%	0.581	54%	0.538	S	S	*	.	H	α-helix	trans	-68.3	-34.4	173.1	-89.8	110	0	0	0	112.1	R18 R19 T26	R18-L22 HydrophobicContact CG-CD1 3.93Å; R18-L22 WeakPolarHBondContact O-CD1 3.49Å; R18-L22 PolarHBondContact O-N 2.88Å; R19-L22 PolarHBondContact O-N 2.67Å; L22-T26 WeakPolarHBondContact O-CG2 3.13Å; L22-T26 PolarHBondContact O-OG1 3.43Å
23	K	43.3	Very low	44.5	Very low	134 Å²	134	110 Å²	110	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-73.3	-32.7	175.2	-84.6	-174.8	169	-168.9	0	113.3	R19 L20 T26	R19-K23 PolarHBondContact O-N 3.15Å; R19-K23 VanDerWaalsContact O-N 3.09Å; L20-K23 PolarHBondContact O-N 3.33Å; K23-T26 PolarHBondContact O-OG1 3.46Å
24	S	37	Very low	43.2	Very low	79 Å²	79	117 Å²	117	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-75.2	-28.5	179.1	83	0	0	0	0	112.9	L20 L21	L20-S24 PolarHBondContact O-N 3.07Å; L21-S24 PolarHBondContact O-OG 3.49Å
25	K	43.4	Very low	41.9	Very low	133 Å²	133	114.7 Å²	114.7	58%	0.578	60%	0.601	S	S	*	*	H	α-helix	trans	-82	-17.5	179.4	-78.7	-176.7	175.2	-177.2	0	114.2	L21	L21-K25 PolarHBondContact O-N 3.3Å
26	T	44.4	Very low	40.3	Very low	119 Å²	119	118.6 Å²	118.6	73%	0.73	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	6.3	179.2	54.7	0	0	0	0	113.9	L22 K23	L22-T26 WeakPolarHBondContact O-CG2 3.13Å; L22-T26 PolarHBondContact O-OG1 3.43Å; K23-T26 PolarHBondContact O-OG1 3.46Å
27	A	38.5	Very low	39.1	Very low	43 Å²	43	122 Å²	122	36%	0.355	64%	0.639	S	S	.	*			trans	-115.8	66.5	-174.5	0	0	0	0	0	112.2	Y34	A27-Y34 WeakPolarHBondContact CB-OH 3.47Å
28	T	38.6	Very low	37.6	Very low	139 Å²	139	121.4 Å²	121.4	85%	0.853	64%	0.643	S	S	*	*	S	Bend	trans	-128.1	100.2	160.3	43.5	0	0	0	0	107.2
29	G	32.8	Very low	36.6	Very low	76 Å²	76	119 Å²	119	78%	0.784	64%	0.64	S	S	*	*	S	Bend	trans	120.1	110.7	176	0	0	0	0	0	114.4
30	G	30.5	Very low	35.6	Very low	66 Å²	66	118.4 Å²	118.4	68%	0.68	65%	0.646	S	S	*	*	S	Bend	trans	96.4	102.1	157.9	0	0	0	0	0	115.7	R32	G30-R32 PolarHBondContact O-N 3.16Å; G30-R32 VanDerWaalsContact O-N 3.17Å
31	D	28.5	Very low	34.9	Very low	170 Å²	170	120 Å²	120	91%	0.909	65%	0.645	S	S	*	*			trans	-9.7	98.2	160.2	-73.7	-37.4	0	0	0	116.1
32	R	32	Very low	34.4	Very low	219 Å²	219	118.6 Å²	118.6	83%	0.826	65%	0.645	S	S	*	*			trans	-144.3	126.3	159.2	-86.7	-175.7	-90.3	-169.6	-5.8	109.9	G30 Y34	G30-R32 PolarHBondContact O-N 3.16Å; G30-R32 VanDerWaalsContact O-N 3.17Å; R32-Y34 PolarHBondContact O-N 2.95Å
33	H	28.6	Very low	33.9	Very low	197 Å²	197	116.7 Å²	116.7	91%	0.912	64%	0.636	S	S	*	*			trans	-41.9	109.7	177.5	-77.1	-101.5	0	0	0	111.8	V35	H33-V35 PolarHBondContact O-N 3.04Å; H33-V35 VanDerWaalsContact O-N 3.12Å
34	Y	27.2	Very low	33.5	Very low	175 Å²	175	112.5 Å²	112.5	69%	0.686	62%	0.621	S	S	*	*			trans	-69	105.7	166.5	-80.3	-94.4	0	0	0	108.1	A27 R32 H36	A27-Y34 WeakPolarHBondContact CB-OH 3.47Å; R32-Y34 PolarHBondContact O-N 2.95Å; Y34-H36 PolarHBondContact O-N 3.31Å
35	V	29.5	Very low	33.5	Very low	125 Å²	125	113.2 Å²	113.2	76%	0.758	62%	0.622	S	S	*	*			trans	-71.1	87.5	153.6	-173.2	0	0	0	0	105.6	H33 T37	H33-V35 PolarHBondContact O-N 3.04Å; H33-V35 VanDerWaalsContact O-N 3.12Å; V35-T37 HydrophobicContact CG1-CG2 4.08Å; V35-T37 PolarHBondContact O-N 3.06Å
36	H	28	Very low	33.1	Very low	132 Å²	132	111 Å²	111	61%	0.611	62%	0.623	S	S	*	*			trans	-68.2	81.7	174.3	-147.3	-89.6	0	0	0	107.2	Y34 N38	Y34-H36 PolarHBondContact O-N 3.31Å; H36-N38 PolarHBondContact CE1-OD1 3.13Å; H36-N38 PolarHBondContact ND1-ND2 2.82Å; H36-N38 VanDerWaalsContact ND1-ND2 3.13Å; H36-N38 PolarHBondContact ND1-OD1 3.05Å; H36-N38 PolarHBondContact O-N 3.15Å
37	T	32.8	Very low	32.5	Very low	100 Å²	100	109.7 Å²	109.7	61%	0.613	62%	0.618	S	S	*	*			trans	-72.4	86.5	163.2	49.2	0	0	0	0	105.9	V35 I39	V35-T37 HydrophobicContact CG1-CG2 4.08Å; V35-T37 PolarHBondContact O-N 3.06Å; T37-I39 PolarHBondContact O-N 3.4Å
38	N	29.6	Very low	32.7	Very low	125 Å²	125	110.1 Å²	110.1	67%	0.668	62%	0.617	S	S	*	*			trans	-64.1	73.9	162.5	-91.3	-36.2	0	0	0	107.2	H36 S40	H36-N38 PolarHBondContact CE1-OD1 3.13Å; H36-N38 PolarHBondContact ND1-ND2 2.82Å; H36-N38 VanDerWaalsContact ND1-ND2 3.13Å; H36-N38 PolarHBondContact ND1-OD1 3.05Å; H36-N38 PolarHBondContact O-N 3.15Å; N38-S40 PolarHBondContact O-N 3.15Å
39	I	33.8	Very low	32.6	Very low	88 Å²	88	108.4 Å²	108.4	45%	0.451	61%	0.611	S	S	.	*			trans	-80.1	101	166.8	-57.5	177	0	0	0	104	T37 D43 V44	T37-I39 PolarHBondContact O-N 3.4Å; I39-D43 HydrophobicContact CG2-CB 4.14Å; I39-V44 HydrophobicContact CG2-CG2 3.55Å
40	S	32.8	Very low	32.8	Very low	59 Å²	59	108.2 Å²	108.2	41%	0.413	60%	0.602	S	S	.	*			trans	-58.7	143.4	171.9	174.1	0	0	0	0	108.2	N38 A42 D43 V44	N38-S40 PolarHBondContact O-N 3.15Å; S40-A42 PolarHBondContact O-N 3.46Å; S40-A42 WeakPolarHBondContact OG-CB 3.32Å; S40-A42 PolarHBondContact OG-N 3.15Å; S40-D43 VanDerWaalsContact CB-OD2 3.26Å; S40-D43 WeakPolarHBondContact CB-OD2 3.42Å; S40-D43 PolarHBondContact N-OD2 3.48Å; S40-D43 WeakPolarHBondContact O-CB 3.41Å; S40-D43 PolarHBondContact O-N 3.34Å; S40-V44 PolarHBondContact O-N 3.47Å
41	W	31.7	Very low	33.1	Very low	146 Å²	146	108 Å²	108	55%	0.553	59%	0.585	S	S	*	*	H	α-helix	trans	-52.6	-27.8	169.5	-91.3	87.6	0	0	0	111.8	A13 T45	A13-W41 HydrophobicContact CB-CH2 3.68Å; A13-W41 HydrophobicContact CB-CZ3 3.91Å; W41-T45 PolarHBondContact O-N 3.2Å; W41-T45 PolarHBondContact O-OG1 3.46Å; W41-T45 VanDerWaalsContact O-OG1 3.1Å
42	A	34.1	Very low	33.6	Very low	54 Å²	54	103 Å²	103	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-35.4	174	0	0	0	0	0	113.1	S40 V44 T45 S46	S40-A42 PolarHBondContact O-N 3.46Å; S40-A42 WeakPolarHBondContact OG-CB 3.32Å; S40-A42 PolarHBondContact OG-N 3.15Å; A42-V44 VanDerWaalsContact C-N 3.31Å; A42-V44 PolarHBondContact O-N 3.17Å; A42-T45 PolarHBondContact O-N 3.35Å; A42-T45 PolarHBondContact O-OG1 3.21Å; A42-S46 VanDerWaalsContact O-CB 3.22Å; A42-S46 WeakPolarHBondContact O-CB 3.43Å; A42-S46 PolarHBondContact O-N 3.03Å
43	D	35	Very low	33.9	Very low	72 Å²	72	101.4 Å²	101.4	39%	0.385	56%	0.559	S	S	.	*	H	α-helix	trans	-73	-26.1	-177.8	-57	-33.2	0	0	0	112.3	I39 S40	I39-D43 HydrophobicContact CG2-CB 4.14Å; S40-D43 VanDerWaalsContact CB-OD2 3.26Å; S40-D43 WeakPolarHBondContact CB-OD2 3.42Å; S40-D43 PolarHBondContact N-OD2 3.48Å; S40-D43 WeakPolarHBondContact O-CB 3.41Å; S40-D43 PolarHBondContact O-N 3.34Å
44	V	34.8	Very low	34.3	Very low	45 Å²	45	102.9 Å²	102.9	27%	0.273	56%	0.557	S	S	.	*	H	α-helix	trans	-78.6	-32.7	176.6	169.6	0	0	0	0	111.7	F12 I39 S40 A42	F12-V44 HydrophobicContact CD1-CG1 3.81Å; F12-V44 HydrophobicContact CE1-CB 4.48Å; F12-V44 HydrophobicContact CE1-CG1 3.23Å; F12-V44 HydrophobicContact CE1-CG2 4.46Å; F12-V44 HydrophobicContact CZ-CG1 4.1Å; I39-V44 HydrophobicContact CG2-CG2 3.55Å; S40-V44 PolarHBondContact O-N 3.47Å; A42-V44 VanDerWaalsContact C-N 3.31Å; A42-V44 PolarHBondContact O-N 3.17Å
45	T	36.8	Very low	34.8	Very low	95 Å²	95	97.1 Å²	97.1	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-93.8	-17.2	-175.6	53.6	0	0	0	0	113.6	W41 A42	W41-T45 PolarHBondContact O-N 3.2Å; W41-T45 PolarHBondContact O-OG1 3.46Å; W41-T45 VanDerWaalsContact O-OG1 3.1Å; A42-T45 PolarHBondContact O-N 3.35Å; A42-T45 PolarHBondContact O-OG1 3.21Å
46	S	35.8	Very low	35.3	Very low	85 Å²	85	97.3 Å²	97.3	59%	0.594	53%	0.534	S	S	*	.	S	Bend	trans	-90.8	103.1	177.6	-176	0	0	0	0	110.3	A42	A42-S46 VanDerWaalsContact O-CB 3.22Å; A42-S46 WeakPolarHBondContact O-CB 3.43Å; A42-S46 PolarHBondContact O-N 3.03Å
47	C	30.1	Very low	36.1	Very low	92 Å²	92	91.6 Å²	91.6	62%	0.622	51%	0.509	S	S	*	.			trans	52.7	96	169.2	-92.1	0	0	0	0	117.1	S49	C47-S49 PolarHBondContact O-N 3.28Å
48	P	43.6	Very low	36.6	Very low	52 Å²	52	91 Å²	91	34%	0.338	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-17.8	-177	-17.6	28.6	0	0	0	115.5	I52	P48-I52 WeakPolarHBondContact O-CG1 3.23Å
49	S	37.5	Very low	37.4	Very low	103 Å²	103	89.4 Å²	89.4	72%	0.72	51%	0.507	S	S	*	.	H	α-helix	trans	-76.5	-29	-170.3	-52.4	0	0	0	0	113.6	C47	C47-S49 PolarHBondContact O-N 3.28Å
50	A	36.2	Very low	38.1	Very low	72 Å²	72	87.4 Å²	87.4	60%	0.595	50%	0.498	S	S	*	.	H	α-helix	trans	-94.4	-19.6	-172.7	0	0	0	0	0	113.8
51	L	36.1	Very low	38.9	Very low	61 Å²	61	87.2 Å²	87.2	32%	0.319	50%	0.495	S	S	.	.	H	α-helix	trans	-79.4	-23.3	-176	-151.2	85.3	0	0	0	112.8	E53 R54 I55	L51-E53 PolarHBondContact O-N 3.22Å; L51-R54 PolarHBondContact O-N 3.3Å; L51-I55 HydrophobicContact CD2-CD1 4.09Å; L51-I55 HydrophobicContact CG-CD1 4.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.46Å
52	I	39	Very low	39.7	Very low	67 Å²	67	81.5 Å²	81.5	34%	0.344	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-71	-33.5	-173.1	-52.3	173.1	0	0	0	112.1	P48 R54 V67 C71	P48-I52 WeakPolarHBondContact O-CG1 3.23Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 3.26Å; I52-V67 HydrophobicContact CB-CG1 4.31Å; I52-V67 HydrophobicContact CD1-CG1 3.71Å; I52-V67 HydrophobicContact CG1-CG1 3.56Å; I52-V67 HydrophobicContact CG2-CG1 3.92Å; I52-C71 HydrophobicContact CD1-CB 3.61Å; I52-C71 WeakPolarHBondContact CD1-SG 3.35Å
53	E	38.3	Very low	40.5	Very low	185 Å²	185	80.7 Å²	80.7	86%	0.864	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-74.9	-16.1	-179.7	-70.4	-168.3	160.5	0	0	113.2	L51	L51-E53 PolarHBondContact O-N 3.22Å
54	R	36.8	Very low	41.2	Very low	228 Å²	228	84.5 Å²	84.5	86%	0.86	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-97	-8.7	-178.9	-75.4	-175.1	170.4	178.2	-2.1	114.6	L51 I52	L51-R54 PolarHBondContact O-N 3.3Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 3.26Å
55	I	38.9	Very low	42.1	Very low	53 Å²	53	83.5 Å²	83.5	27%	0.272	47%	0.466	S	S	.	.			trans	-97.2	107.1	-178.9	-56.6	167.9	0	0	0	108.5	L51 C57 L63	L51-I55 HydrophobicContact CD2-CD1 4.09Å; L51-I55 HydrophobicContact CG-CD1 4.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.46Å; I55-C57 VanDerWaalsContact C-N 3.29Å; I55-C57 WeakPolarHBondContact CG2-SG 3.35Å; I55-C57 PolarHBondContact O-N 2.81Å; I55-C57 PolarHBondContact O-SG 3.11Å; I55-L63 HydrophobicContact CG2-CD2 4.06Å
56	D	40.4	Very low	43	Very low	129 Å²	129	80.1 Å²	80.1	69%	0.69	45%	0.445	S	S	*	.			trans	-64.3	91.6	167.1	-167.3	-16.4	0	0	0	109.3	S58	D56-S58 PolarHBondContact O-N 3.39Å; D56-S58 WeakPolarHBondContact OD1-CB 3.48Å; D56-S58 PolarHBondContact OD1-N 2.93Å; D56-S58 PolarHBondContact OD1-OG 3.17Å
57	C	43	Very low	43.7	Very low	12 Å²	12	77.3 Å²	77.3	8%	0.081	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-85.7	15.1	-173.8	-68.1	0	0	0	0	113.3	I55 S59 L60 R64	I55-C57 VanDerWaalsContact C-N 3.29Å; I55-C57 WeakPolarHBondContact CG2-SG 3.35Å; I55-C57 PolarHBondContact O-N 2.81Å; I55-C57 PolarHBondContact O-SG 3.11Å; C57-S59 PolarHBondContact O-N 3.05Å; C57-L60 PolarHBondContact O-N 3.26Å; C57-R64 HydrophobicContact CB-CG 3.61Å; C57-R64 PolarHBondContact O-NH1 3.24Å
58	S	45	Very low	44.6	Very low	89 Å²	89	74.4 Å²	74.4	62%	0.622	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-57.2	-30.4	178.7	49	0	0	0	0	113.2	D56	D56-S58 PolarHBondContact O-N 3.39Å; D56-S58 WeakPolarHBondContact OD1-CB 3.48Å; D56-S58 PolarHBondContact OD1-N 2.93Å; D56-S58 PolarHBondContact OD1-OG 3.17Å
59	S	45.5	Very low	45	Very low	90 Å²	90	77.2 Å²	77.2	63%	0.629	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-97.6	-5.6	-176.7	60.6	0	0	0	0	115.6	C57	C57-S59 PolarHBondContact O-N 3.05Å
60	L	47.9	Very low	45.6	Very low	47 Å²	47	74.9 Å²	74.9	25%	0.246	39%	0.392	C	S	.	.			trans	-138.4	75.5	-169.1	-68.9	168.2	0	0	0	112.3	C57 I62 L63 R64	C57-L60 PolarHBondContact O-N 3.26Å; L60-I62 PolarHBondContact O-N 3.18Å; L60-L63 HydrophobicContact CB-CB 3.74Å; L60-L63 HydrophobicContact CD1-CD2 4.14Å; L60-L63 WeakPolarHBondContact O-CB 3.43Å; L60-L63 PolarHBondContact O-N 2.97Å; L60-R64 PolarHBondContact O-N 3.42Å
61	P	49.7	Very low	45.8	Very low	54 Å²	54	73.5 Å²	73.5	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-58	-33.7	178.7	22	-32.4	0	0	0	112.3	L63 R64 V65 V86	P61-L63 VanDerWaalsContact C-N 3.32Å; P61-L63 PolarHBondContact O-N 2.89Å; P61-R64 WeakPolarHBondContact O-CB 3.14Å; P61-R64 PolarHBondContact O-N 2.94Å; P61-V65 WeakPolarHBondContact O-CG2 3.34Å; P61-V65 PolarHBondContact O-N 3.17Å; P61-V86 HydrophobicContact CB-CG2 4.45Å
62	I	49.9	Very low	46.1	Very low	27 Å²	27	77.9 Å²	77.9	14%	0.138	39%	0.393	C	S	.	.	H	α-helix	trans	-65	-35.9	176.6	-59.4	169.4	0	0	0	111.5	F15 L60 R64 V65 V66	F15-I62 HydrophobicContact CE1-CG2 4.45Å; F15-I62 HydrophobicContact CE2-CG2 4.4Å; F15-I62 HydrophobicContact CZ-CG2 3.62Å; L60-I62 PolarHBondContact O-N 3.18Å; I62-R64 VanDerWaalsContact C-N 3.33Å; I62-V65 PolarHBondContact O-N 3.27Å; I62-V66 HydrophobicContact CG2-CG2 4.47Å; I62-V66 WeakPolarHBondContact O-CG2 3.32Å; I62-V66 PolarHBondContact O-N 3.32Å
63	L	49.9	Very low	46.2	Very low	37 Å²	37	80.4 Å²	80.4	19%	0.194	41%	0.414	C	S	.	.	H	α-helix	trans	-69.8	-35.2	179.2	-155.7	75.3	0	0	0	110.5	I55 L60 P61 V65 V66 V67	I55-L63 HydrophobicContact CG2-CD2 4.06Å; L60-L63 HydrophobicContact CB-CB 3.74Å; L60-L63 HydrophobicContact CD1-CD2 4.14Å; L60-L63 WeakPolarHBondContact O-CB 3.43Å; L60-L63 PolarHBondContact O-N 2.97Å; P61-L63 VanDerWaalsContact C-N 3.32Å; P61-L63 PolarHBondContact O-N 2.89Å; L63-V65 VanDerWaalsContact C-N 3.35Å; L63-V65 PolarHBondContact O-N 3.34Å; L63-V66 PolarHBondContact O-N 2.73Å; L63-V67 HydrophobicContact CG-CG2 4.47Å; L63-V67 VanDerWaalsContact O-CB 3.27Å; L63-V67 WeakPolarHBondContact O-CB 3.48Å; L63-V67 WeakPolarHBondContact O-CG2 3.49Å; L63-V67 PolarHBondContact O-N 2.77Å
64	R	50.9	Low	46.4	Very low	151 Å²	151	74.3 Å²	74.3	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-59.6	-43.5	169.9	-72.8	-169	156	130.9	-4.3	112.3	C57 L60 P61 I62 A68	C57-R64 HydrophobicContact CB-CG 3.61Å; C57-R64 PolarHBondContact O-NH1 3.24Å; L60-R64 PolarHBondContact O-N 3.42Å; P61-R64 WeakPolarHBondContact O-CB 3.14Å; P61-R64 PolarHBondContact O-N 2.94Å; I62-R64 VanDerWaalsContact C-N 3.33Å; R64-A68 WeakPolarHBondContact O-CB 3.37Å; R64-A68 PolarHBondContact O-N 3.35Å
65	V	52.7	Low	46.4	Very low	24 Å²	24	73.2 Å²	73.2	15%	0.145	38%	0.381	C	S	.	.	H	α-helix	trans	-60.7	-49.7	177.6	177.9	0	0	0	0	110.2	P61 I62 L63 A68 F69 A82 V86	P61-V65 WeakPolarHBondContact O-CG2 3.34Å; P61-V65 PolarHBondContact O-N 3.17Å; I62-V65 PolarHBondContact O-N 3.27Å; L63-V65 VanDerWaalsContact C-N 3.35Å; L63-V65 PolarHBondContact O-N 3.34Å; V65-A68 WeakPolarHBondContact O-CB 3.45Å; V65-A68 PolarHBondContact O-N 3.38Å; V65-F69 HydrophobicContact CG1-CD2 3.9Å; V65-F69 HydrophobicContact CG1-CE2 3.62Å; V65-F69 WeakPolarHBondContact O-CD2 3.48Å; V65-F69 PolarHBondContact O-N 2.84Å; V65-A82 HydrophobicContact CG2-CB 4.28Å; V65-V86 HydrophobicContact CG2-CG2 4.2Å
66	V	55.8	Low	46.4	Very low	25 Å²	25	75.8 Å²	75.8	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-66.8	-41.2	-177	177.7	0	0	0	0	112.2	F12 F15 I62 L63 A68 F69 H70	F12-V66 HydrophobicContact CD2-CG1 3.37Å; F12-V66 HydrophobicContact CE2-CG1 3.44Å; F12-V66 VanDerWaalsContact CE2-CG1 3.44Å; F15-V66 HydrophobicContact CD1-CG1 4.37Å; F15-V66 HydrophobicContact CD1-CG2 4.16Å; F15-V66 HydrophobicContact CE1-CG2 3.83Å; F15-V66 HydrophobicContact CE2-CG2 4.44Å; F15-V66 HydrophobicContact CZ-CG2 4Å; I62-V66 HydrophobicContact CG2-CG2 4.47Å; I62-V66 WeakPolarHBondContact O-CG2 3.32Å; I62-V66 PolarHBondContact O-N 3.32Å; L63-V66 PolarHBondContact O-N 2.73Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-F69 WeakPolarHBondContact O-CB 3.47Å; V66-F69 PolarHBondContact O-N 3.34Å; V66-H70 PolarHBondContact O-N 3.13Å
67	V	51.4	Low	46.4	Very low	26 Å²	26	73 Å²	73	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-65.2	-39.1	175.4	168.4	0	0	0	0	111	I52 L63 F69 H70 C71	I52-V67 HydrophobicContact CB-CG1 4.31Å; I52-V67 HydrophobicContact CD1-CG1 3.71Å; I52-V67 HydrophobicContact CG1-CG1 3.56Å; I52-V67 HydrophobicContact CG2-CG1 3.92Å; L63-V67 HydrophobicContact CG-CG2 4.47Å; L63-V67 VanDerWaalsContact O-CB 3.27Å; L63-V67 WeakPolarHBondContact O-CB 3.48Å; L63-V67 WeakPolarHBondContact O-CG2 3.49Å; L63-V67 PolarHBondContact O-N 2.77Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-F69 PolarHBondContact O-N 3.47Å; V67-H70 PolarHBondContact O-N 2.75Å; V67-H70 VanDerWaalsContact O-N 3.08Å; V67-C71 PolarHBondContact O-N 2.9Å; V67-C71 PolarHBondContact O-SG 3.22Å
68	A	48.6	Very low	46.3	Very low	31 Å²	31	76.3 Å²	76.3	26%	0.256	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-37	176.7	0	0	0	0	0	112.2	R64 V65 V66 H70 F74	R64-A68 WeakPolarHBondContact O-CB 3.37Å; R64-A68 PolarHBondContact O-N 3.35Å; V65-A68 WeakPolarHBondContact O-CB 3.45Å; V65-A68 PolarHBondContact O-N 3.38Å; V66-A68 VanDerWaalsContact C-N 3.34Å; A68-H70 PolarHBondContact O-N 3.04Å; A68-F74 HydrophobicContact CB-CE2 3.54Å; A68-F74 HydrophobicContact CB-CZ 3.64Å; A68-F74 WeakPolarHBondContact O-CD2 3.33Å; A68-F74 WeakPolarHBondContact O-CE2 3.49Å
69	F	52.4	Low	46.3	Very low	111 Å²	111	73.3 Å²	73.3	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-26.5	172.6	-88.1	-76.7	0	0	0	113.7	V65 V66 V67	V65-F69 HydrophobicContact CG1-CD2 3.9Å; V65-F69 HydrophobicContact CG1-CE2 3.62Å; V65-F69 WeakPolarHBondContact O-CD2 3.48Å; V65-F69 PolarHBondContact O-N 2.84Å; V66-F69 WeakPolarHBondContact O-CB 3.47Å; V66-F69 PolarHBondContact O-N 3.34Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-F69 PolarHBondContact O-N 3.47Å
70	H	49.2	Very low	46	Very low	54 Å²	54	76.8 Å²	76.8	25%	0.25	38%	0.384	C	S	.	.	H	α-helix	trans	-94	-26.6	-171.9	-149.9	-89.6	0	0	0	113.7	V66 V67 A68	V66-H70 PolarHBondContact O-N 3.13Å; V67-H70 PolarHBondContact O-N 2.75Å; V67-H70 VanDerWaalsContact O-N 3.08Å; A68-H70 PolarHBondContact O-N 3.04Å
71	C	41.7	Very low	45.8	Very low	43 Å²	43	79.9 Å²	79.9	29%	0.291	40%	0.399	S	S	.	.	H	α-helix	trans	-101.7	-10.4	-162.9	-59.8	0	0	0	0	116	I52 V67	I52-C71 HydrophobicContact CD1-CB 3.61Å; I52-C71 WeakPolarHBondContact CD1-SG 3.35Å; V67-C71 PolarHBondContact O-N 2.9Å; V67-C71 PolarHBondContact O-SG 3.22Å
72	K	41.3	Very low	45.5	Very low	152 Å²	152	78.4 Å²	78.4	66%	0.661	39%	0.392	S	S	*	.	S	Bend	trans	-142.6	153.9	177.3	-68.5	-174.1	179.1	176.9	0	111.5	F74	K72-F74 PolarHBondContact O-N 3.32Å
73	P	41.8	Very low	45.2	Very low	121 Å²	121	78.7 Å²	78.7	79%	0.786	39%	0.394	S	S	*	.			trans	-59.9	94.8	159.2	26.2	-31.1	0	0	0	107.2	R75	P73-R75 PolarHBondContact O-N 3.15Å; P73-R75 VanDerWaalsContact O-N 3.11Å
74	F	41.5	Very low	45	Very low	56 Å²	56	82.8 Å²	82.8	25%	0.246	41%	0.412	C	S	.	.			trans	-71.6	110.7	-166.2	-142	-109.8	0	0	0	109.2	A68 K72 N78 V79	A68-F74 HydrophobicContact CB-CE2 3.54Å; A68-F74 HydrophobicContact CB-CZ 3.64Å; A68-F74 WeakPolarHBondContact O-CD2 3.33Å; A68-F74 WeakPolarHBondContact O-CE2 3.49Å; K72-F74 PolarHBondContact O-N 3.32Å; F74-N78 HydrophobicContact CD1-CB 4.1Å; F74-N78 HydrophobicContact CE1-CB 3.43Å; F74-N78 VanDerWaalsContact CE1-CB 3.43Å; F74-N78 HydrophobicContact CE2-CB 4.15Å; F74-N78 HydrophobicContact CZ-CB 3.46Å; F74-N78 VanDerWaalsContact CZ-CB 3.46Å; F74-V79 HydrophobicContact CD1-CG2 3.51Å; F74-V79 HydrophobicContact CE1-CG2 3.69Å
75	R	36.5	Very low	44.8	Very low	206 Å²	206	81.9 Å²	81.9	78%	0.777	42%	0.418	S	S	*	.			trans	-68.2	132.4	168.7	-70.8	-170.1	178.2	-148.3	1.5	107.9	P73 A77 N78	P73-R75 PolarHBondContact O-N 3.15Å; P73-R75 VanDerWaalsContact O-N 3.11Å; R75-A77 PolarHBondContact O-N 3.09Å; R75-N78 PolarHBondContact O-N 3.13Å
76	L	40	Very low	44.6	Very low	107 Å²	107	81.2 Å²	81.2	56%	0.56	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-26.7	-176.8	-163.3	71	0	0	0	113.7	N78 V79	L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 2.85Å; L76-V79 WeakPolarHBondContact O-CB 3.47Å; L76-V79 PolarHBondContact O-N 3.23Å; L76-V79 VanDerWaalsContact O-N 3.16Å
77	A	40.4	Very low	44.1	Very low	70 Å²	70	88.3 Å²	88.3	58%	0.579	44%	0.443	S	S	*	.	H	α-helix	trans	-56.3	-35.4	175.2	0	0	0	0	0	113.6	R75 V79 R80	R75-A77 PolarHBondContact O-N 3.09Å; A77-V79 VanDerWaalsContact C-N 3.34Å; A77-R80 PolarHBondContact O-N 2.85Å
78	N	40.8	Very low	43.8	Very low	82 Å²	82	90.6 Å²	90.6	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-80.2	-18.9	-178	-64	-8.7	0	0	0	112.4	F74 R75 L76 A82	F74-N78 HydrophobicContact CD1-CB 4.1Å; F74-N78 HydrophobicContact CE1-CB 3.43Å; F74-N78 VanDerWaalsContact CE1-CB 3.43Å; F74-N78 HydrophobicContact CE2-CB 4.15Å; F74-N78 HydrophobicContact CZ-CB 3.46Å; F74-N78 VanDerWaalsContact CZ-CB 3.46Å; R75-N78 PolarHBondContact O-N 3.13Å; L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 2.85Å; N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 3.33Å; N78-A82 VanDerWaalsContact O-N 3.1Å
79	V	43.6	Very low	43.7	Very low	25 Å²	25	93.7 Å²	93.7	15%	0.152	48%	0.481	C	S	.	.	H	α-helix	trans	-71	-38.7	174.3	-176.2	0	0	0	0	109.8	F74 L76 A77 L81 A82 I83	F74-V79 HydrophobicContact CD1-CG2 3.51Å; F74-V79 HydrophobicContact CE1-CG2 3.69Å; L76-V79 WeakPolarHBondContact O-CB 3.47Å; L76-V79 PolarHBondContact O-N 3.23Å; L76-V79 VanDerWaalsContact O-N 3.16Å; A77-V79 VanDerWaalsContact C-N 3.34Å; V79-L81 PolarHBondContact O-N 2.75Å; V79-A82 PolarHBondContact O-N 3.1Å; V79-I83 HydrophobicContact CG1-CD1 3.59Å; V79-I83 HydrophobicContact CG1-CG1 4.15Å; V79-I83 WeakPolarHBondContact O-CB 3.27Å; V79-I83 WeakPolarHBondContact O-CG1 3.17Å; V79-I83 PolarHBondContact O-N 3.49Å
80	R	40.6	Very low	43	Very low	164 Å²	164	95.5 Å²	95.5	62%	0.619	50%	0.495	S	S	*	.	H	α-helix	trans	-60.9	-44.7	175	-76.8	-174.8	175.1	171	-1.8	111.7	A77 A82 I83 E84	A77-R80 PolarHBondContact O-N 2.85Å; R80-A82 VanDerWaalsContact C-N 3.34Å; R80-A82 PolarHBondContact O-N 3.45Å; R80-I83 PolarHBondContact O-N 2.85Å; R80-E84 WeakPolarHBondContact O-CB 3.24Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 2.94Å
81	L	43.5	Very low	43	Very low	111 Å²	111	95 Å²	95	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-64.9	-37.7	178.1	-152.1	82.4	0	0	0	112.5	V79 N85	V79-L81 PolarHBondContact O-N 2.75Å; L81-N85 WeakPolarHBondContact O-CB 3.08Å; L81-N85 PolarHBondContact O-N 3.47Å; L81-N85 PolarHBondContact O-ND2 3.22Å
82	A	44.1	Very low	42.8	Very low	24 Å²	24	95 Å²	95	20%	0.198	49%	0.492	C	S	.	.	H	α-helix	trans	-70.2	-35.9	175.1	0	0	0	0	0	112.4	V65 N78 V79 R80 V86	V65-A82 HydrophobicContact CG2-CB 4.28Å; N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 3.33Å; N78-A82 VanDerWaalsContact O-N 3.1Å; V79-A82 PolarHBondContact O-N 3.1Å; R80-A82 VanDerWaalsContact C-N 3.34Å; R80-A82 PolarHBondContact O-N 3.45Å; A82-V86 WeakPolarHBondContact O-CB 3.25Å; A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.24Å
83	I	42.7	Very low	42.8	Very low	33 Å²	33	91.9 Å²	91.9	17%	0.169	49%	0.486	C	S	.	.	H	α-helix	trans	-70.8	-41.3	176.4	-72.3	171.6	0	0	0	111	V79 R80 N85 V86 K87 F92 I110	V79-I83 HydrophobicContact CG1-CD1 3.59Å; V79-I83 HydrophobicContact CG1-CG1 4.15Å; V79-I83 WeakPolarHBondContact O-CB 3.27Å; V79-I83 WeakPolarHBondContact O-CG1 3.17Å; V79-I83 PolarHBondContact O-N 3.49Å; R80-I83 PolarHBondContact O-N 2.85Å; I83-N85 VanDerWaalsContact C-N 3.34Å; I83-V86 PolarHBondContact O-N 2.87Å; I83-K87 PolarHBondContact O-N 3.13Å; I83-F92 HydrophobicContact CD1-CZ 4.37Å; I83-F92 HydrophobicContact CG1-CE1 4.1Å; I83-F92 HydrophobicContact CG1-CZ 3.8Å; I83-I110 HydrophobicContact CD1-CD1 4.49Å
84	E	45.8	Very low	43	Very low	123 Å²	123	91.3 Å²	91.3	58%	0.575	48%	0.476	S	S	*	.	H	α-helix	trans	-67.3	-35.2	179.5	-76.7	-175.6	162.9	0	0	112.4	R80 V86	R80-E84 WeakPolarHBondContact O-CB 3.24Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 2.94Å; E84-V86 PolarHBondContact O-N 3.32Å
85	N	45.5	Very low	43.1	Very low	131 Å²	131	91.1 Å²	91.1	70%	0.701	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.2	174.8	-77.6	-50.7	0	0	0	114.3	L81 I83	L81-N85 WeakPolarHBondContact O-CB 3.08Å; L81-N85 PolarHBondContact O-N 3.47Å; L81-N85 PolarHBondContact O-ND2 3.22Å; I83-N85 VanDerWaalsContact C-N 3.34Å
86	V	49.5	Very low	43.6	Very low	10 Å²	10	83 Å²	83	6%	0.061	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	5.5	-175	-176.5	0	0	0	0	111.9	P61 V65 A82 I83 E84 G88 H89 F92	P61-V86 HydrophobicContact CB-CG2 4.45Å; V65-V86 HydrophobicContact CG2-CG2 4.2Å; A82-V86 WeakPolarHBondContact O-CB 3.25Å; A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.24Å; I83-V86 PolarHBondContact O-N 2.87Å; E84-V86 PolarHBondContact O-N 3.32Å; V86-G88 PolarHBondContact O-N 3.38Å; V86-H89 HydrophobicContact CG1-CB 3.98Å; V86-H89 PolarHBondContact O-N 3.47Å; V86-F92 HydrophobicContact CG1-CB 4.29Å; V86-F92 HydrophobicContact CG1-CD2 4.38Å; V86-F92 HydrophobicContact CG1-CG 4.45Å
87	K	44.7	Very low	44.1	Very low	174 Å²	174	83.6 Å²	83.6	76%	0.757	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-5	-173.8	-135.6	174.5	-178.6	-179.8	0	115.3	I83	I83-K87 PolarHBondContact O-N 3.13Å
88	G	45.5	Very low	44.4	Very low	74 Å²	74	85.3 Å²	85.3	76%	0.763	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-2.2	174.8	0	0	0	0	0	116.1	V86	V86-G88 PolarHBondContact O-N 3.38Å
89	H	45.9	Very low	44.8	Very low	97 Å²	97	86.1 Å²	86.1	45%	0.449	45%	0.446	S	S	.	.			trans	-97	105.5	-177.4	-113.4	-84.6	0	0	0	110.9	V86 S91 F92	V86-H89 HydrophobicContact CG1-CB 3.98Å; V86-H89 PolarHBondContact O-N 3.47Å; H89-S91 PolarHBondContact ND1-OG 3.3Å; H89-S91 VanDerWaalsContact ND1-OG 3.15Å; H89-S91 PolarHBondContact O-N 2.99Å; H89-F92 WeakPolarHBondContact O-CB 3.4Å; H89-F92 PolarHBondContact O-N 2.91Å
90	L	39.5	Very low	45.3	Very low	149 Å²	149	91.3 Å²	91.3	78%	0.78	47%	0.469	S	S	*	.	H	α-helix	trans	-48.5	-27	173.7	-86.5	91.9	0	0	0	113.1	F92 V93	L90-F92 PolarHBondContact O-N 2.95Å; L90-V93 PolarHBondContact O-N 3.41Å
91	S	47.6	Very low	45.6	Very low	42 Å²	42	86.2 Å²	86.2	29%	0.294	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-20.1	176.1	56.7	0	0	0	0	114.2	H89 I95	H89-S91 PolarHBondContact ND1-OG 3.3Å; H89-S91 VanDerWaalsContact ND1-OG 3.15Å; H89-S91 PolarHBondContact O-N 2.99Å; S91-I95 VanDerWaalsContact O-CD1 3.27Å; S91-I95 WeakPolarHBondContact O-CD1 3.26Å; S91-I95 WeakPolarHBondContact O-CG1 3.39Å; S91-I95 PolarHBondContact O-N 3.01Å
92	F	38.4	Very low	45.9	Very low	44 Å²	44	88.8 Å²	88.8	19%	0.193	46%	0.455	C	S	.	.	H	α-helix	trans	-81	-32.9	-179.9	-168.5	-101.7	0	0	0	112.9	I83 V86 H89 L90 I95 L96	I83-F92 HydrophobicContact CD1-CZ 4.37Å; I83-F92 HydrophobicContact CG1-CE1 4.1Å; I83-F92 HydrophobicContact CG1-CZ 3.8Å; V86-F92 HydrophobicContact CG1-CB 4.29Å; V86-F92 HydrophobicContact CG1-CD2 4.38Å; V86-F92 HydrophobicContact CG1-CG 4.45Å; H89-F92 WeakPolarHBondContact O-CB 3.4Å; H89-F92 PolarHBondContact O-N 2.91Å; L90-F92 PolarHBondContact O-N 2.95Å; F92-I95 PolarHBondContact O-N 3.43Å; F92-L96 HydrophobicContact CD1-CD1 4.04Å; F92-L96 HydrophobicContact CD1-CG 4.41Å; F92-L96 HydrophobicContact CE1-CD1 3.59Å; F92-L96 HydrophobicContact CE1-CD2 4.49Å; F92-L96 HydrophobicContact CE1-CG 4.03Å; F92-L96 HydrophobicContact CZ-CD1 4.34Å; F92-L96 HydrophobicContact CZ-CD2 4.47Å; F92-L96 HydrophobicContact CZ-CG 4.41Å; F92-L96 PolarHBondContact O-N 3.36Å; F92-L96 VanDerWaalsContact O-N 3.15Å
93	V	41.8	Very low	46.2	Very low	86 Å²	86	94.2 Å²	94.2	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-65.6	-44.4	176.2	-177.6	0	0	0	0	109.6	L90 I95 L96 D97	L90-V93 PolarHBondContact O-N 3.41Å; V93-I95 PolarHBondContact O-N 2.88Å; V93-L96 PolarHBondContact O-N 3.37Å; V93-L96 VanDerWaalsContact O-N 3.1Å; V93-D97 PolarHBondContact O-N 3.41Å
94	N	44.5	Very low	46	Very low	110 Å²	110	96.1 Å²	96.1	59%	0.588	48%	0.483	S	S	*	.	H	α-helix	trans	-60	-33.6	175.2	-67.5	-11.5	0	0	0	112.7	E98	N94-E98 WeakPolarHBondContact O-CB 3.39Å; N94-E98 PolarHBondContact O-N 3.03Å
95	I	44.3	Very low	46	Very low	51 Å²	51	96.2 Å²	96.2	26%	0.262	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-46.1	175.8	-70.3	164	0	0	0	110	S91 F92 V93 D97 E98 Y99	S91-I95 VanDerWaalsContact O-CD1 3.27Å; S91-I95 WeakPolarHBondContact O-CD1 3.26Å; S91-I95 WeakPolarHBondContact O-CG1 3.39Å; S91-I95 PolarHBondContact O-N 3.01Å; F92-I95 PolarHBondContact O-N 3.43Å; V93-I95 PolarHBondContact O-N 2.88Å; I95-D97 PolarHBondContact O-N 3.07Å; I95-E98 PolarHBondContact O-N 3.29Å; I95-Y99 HydrophobicContact CG2-CD2 4Å; I95-Y99 HydrophobicContact CG2-CE2 4.11Å; I95-Y99 WeakPolarHBondContact O-CD2 3.37Å; I95-Y99 PolarHBondContact O-N 3.38Å
96	L	47.8	Very low	46.1	Very low	36 Å²	36	95.6 Å²	95.6	19%	0.188	50%	0.495	C	S	.	.	H	α-helix	trans	-67.1	-37.3	-178.1	-68.9	176.7	0	0	0	113	F92 V93 Y99 H100 L101	F92-L96 HydrophobicContact CD1-CD1 4.04Å; F92-L96 HydrophobicContact CD1-CG 4.41Å; F92-L96 HydrophobicContact CE1-CD1 3.59Å; F92-L96 HydrophobicContact CE1-CD2 4.49Å; F92-L96 HydrophobicContact CE1-CG 4.03Å; F92-L96 HydrophobicContact CZ-CD1 4.34Å; F92-L96 HydrophobicContact CZ-CD2 4.47Å; F92-L96 HydrophobicContact CZ-CG 4.41Å; F92-L96 PolarHBondContact O-N 3.36Å; F92-L96 VanDerWaalsContact O-N 3.15Å; V93-L96 PolarHBondContact O-N 3.37Å; V93-L96 VanDerWaalsContact O-N 3.1Å; L96-Y99 PolarHBondContact O-N 2.86Å; L96-H100 PolarHBondContact O-N 3.05Å; L96-L101 HydrophobicContact CD2-CB 4.07Å; L96-L101 HydrophobicContact CD2-CD1 4.14Å; L96-L101 PolarHBondContact O-N 2.86Å; L96-L101 VanDerWaalsContact O-N 3.13Å
97	D	49.1	Very low	46.1	Very low	120 Å²	120	98.3 Å²	98.3	64%	0.642	51%	0.511	S	S	*	.	H	α-helix	trans	-68.6	-43.2	176.8	-84.1	-14	0	0	0	112.1	V93 I95 Y99 H100	V93-D97 PolarHBondContact O-N 3.41Å; I95-D97 PolarHBondContact O-N 3.07Å; D97-Y99 PolarHBondContact O-N 3.22Å; D97-Y99 VanDerWaalsContact O-N 3.15Å; D97-H100 PolarHBondContact O-N 3.18Å; D97-H100 VanDerWaalsContact O-N 3.15Å
98	E	48	Very low	46.1	Very low	105 Å²	105	91.9 Å²	91.9	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-21.4	179.4	-166.9	173	-154.6	0	0	112.7	R18 N94 I95	R18-E98 IonicContact CZ-OE1 3.23Å; R18-E98 VanDerWaalsContact CZ-OE1 3.23Å; R18-E98 VanDerWaalsContact NH1-CD 3.33Å; R18-E98 IonicContact NH1-OE1 2.67Å; R18-E98 PolarHBondContact NH1-OE1 3.48Å; R18-E98 IonicContact NH1-OE2 3.3Å; R18-E98 PolarHBondContact NH1-OE2 3.46Å; R18-E98 IonicContact NH2-OE1 2.88Å; R18-E98 PolarHBondContact NH2-OE1 2.92Å; N94-E98 WeakPolarHBondContact O-CB 3.39Å; N94-E98 PolarHBondContact O-N 3.03Å; I95-E98 PolarHBondContact O-N 3.29Å
99	Y	49	Very low	45.9	Very low	99 Å²	99	93.4 Å²	93.4	39%	0.388	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	8.7	178.2	-71.3	-71.9	0	0	0	114.5	L11 I95 L96 D97 L101	L11-Y99 HydrophobicContact CD2-CE1 3.96Å; I95-Y99 HydrophobicContact CG2-CD2 4Å; I95-Y99 HydrophobicContact CG2-CE2 4.11Å; I95-Y99 WeakPolarHBondContact O-CD2 3.37Å; I95-Y99 PolarHBondContact O-N 3.38Å; L96-Y99 PolarHBondContact O-N 2.86Å; D97-Y99 PolarHBondContact O-N 3.22Å; D97-Y99 VanDerWaalsContact O-N 3.15Å; Y99-L101 HydrophobicContact CG-CD1 4.37Å; Y99-L101 PolarHBondContact O-N 3.23Å; Y99-L101 VanDerWaalsContact O-N 3.09Å
100	H	52.8	Low	46	Very low	134 Å²	134	91.9 Å²	91.9	62%	0.62	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	33	-176.7	-84.3	-59.9	0	0	0	113.5	L96 D97 R102	L96-H100 PolarHBondContact O-N 3.05Å; D97-H100 PolarHBondContact O-N 3.18Å; D97-H100 VanDerWaalsContact O-N 3.15Å; H100-R102 PolarHBondContact O-N 3.49Å
101	L	48.4	Very low	46.3	Very low	57 Å²	57	87 Å²	87	30%	0.298	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	93.1	-176.6	-77.4	167.3	0	0	0	108.9	L96 Y99 I110 C112	L96-L101 HydrophobicContact CD2-CB 4.07Å; L96-L101 HydrophobicContact CD2-CD1 4.14Å; L96-L101 PolarHBondContact O-N 2.86Å; L96-L101 VanDerWaalsContact O-N 3.13Å; Y99-L101 HydrophobicContact CG-CD1 4.37Å; Y99-L101 PolarHBondContact O-N 3.23Å; Y99-L101 VanDerWaalsContact O-N 3.09Å; L101-I110 HydrophobicContact CB-CG2 3.51Å; L101-I110 HydrophobicContact CD1-CG2 4.43Å; L101-I110 HydrophobicContact CD2-CG2 3.5Å; L101-I110 HydrophobicContact CG-CG2 3.96Å; L101-C112 HydrophobicContact CD2-CB 4.14Å
102	R	48.1	Very low	46.3	Very low	166 Å²	166	87.2 Å²	87.2	63%	0.626	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.6	175.2	-67.7	-168.1	178	179.5	2	110.7	H100 I110 V111	H100-R102 PolarHBondContact O-N 3.49Å; R102-I110 CarbonylContact O-C 3.59Å; R102-I110 WeakPolarHBondContact O-CA 3.46Å; R102-V111 PolarHBondContact N-O 3.47Å; R102-V111 PolarHBondContact O-N 2.95Å; R102-V111 VanDerWaalsContact O-O 3.08Å
103	K	51.5	Low	46.4	Very low	138 Å²	138	88.7 Å²	88.7	60%	0.6	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.5	167.8	-71.4	-179.5	-178.3	175.5	0	109.2	Q109	K103-Q109 CarbonylContact C-O 3.57Å
104	H	39	Very low	46.5	Very low	73 Å²	73	93.9 Å²	93.9	34%	0.338	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-67.1	127.5	173.6	-168.4	-101.6	0	0	0	109.6	T106 T107 G108 Q109 V111	H104-T106 VanDerWaalsContact C-N 3.27Å; H104-T106 PolarHBondContact CE1-OG1 3.14Å; H104-T106 PolarHBondContact ND1-OG1 3.23Å; H104-T106 VanDerWaalsContact ND1-OG1 3.12Å; H104-T106 PolarHBondContact O-N 3.31Å; H104-T107 VanDerWaalsContact CB-OG1 3.27Å; H104-T107 WeakPolarHBondContact CB-OG1 3.27Å; H104-T107 VanDerWaalsContact CG-OG1 3.28Å; H104-T107 PolarHBondContact ND1-N 3.12Å; H104-T107 PolarHBondContact ND1-OG1 2.93Å; H104-G108 PolarHBondContact O-N 3.45Å; H104-Q109 WeakPolarHBondContact CB-O 3.43Å; H104-Q109 PolarHBondContact N-O 2.91Å; H104-V111 HydrophobicContact CB-CG2 3.85Å
105	P	46.1	Very low	46.2	Very low	124 Å²	124	96.1 Å²	96.1	81%	0.805	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.6	-170.2	23	-32.9	0	0	0	113.1
106	T	46.7	Very low	46	Very low	118 Å²	118	101.7 Å²	101.7	72%	0.724	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-16.5	-174.2	61.3	0	0	0	0	114.6	H104	H104-T106 VanDerWaalsContact C-N 3.27Å; H104-T106 PolarHBondContact CE1-OG1 3.14Å; H104-T106 PolarHBondContact ND1-OG1 3.23Å; H104-T106 VanDerWaalsContact ND1-OG1 3.12Å; H104-T106 PolarHBondContact O-N 3.31Å
107	T	50	Low	45.2	Very low	67 Å²	67	107.1 Å²	107.1	41%	0.411	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-10.6	-176.5	63	0	0	0	0	113.1	H104 Q109	H104-T107 VanDerWaalsContact CB-OG1 3.27Å; H104-T107 WeakPolarHBondContact CB-OG1 3.27Å; H104-T107 VanDerWaalsContact CG-OG1 3.28Å; H104-T107 PolarHBondContact ND1-N 3.12Å; H104-T107 PolarHBondContact ND1-OG1 2.93Å; T107-Q109 PolarHBondContact O-N 3Å; T107-Q109 WeakPolarHBondContact OG1-CB 3.45Å; T107-Q109 WeakPolarHBondContact OG1-CG 3.49Å; T107-Q109 PolarHBondContact OG1-N 3.47Å
108	G	44.8	Very low	44.7	Very low	40 Å²	40	105.1 Å²	105.1	41%	0.412	54%	0.536	S	S	.	.			trans	60.5	9.4	-173.1	0	0	0	0	0	113.7	H104	H104-G108 PolarHBondContact O-N 3.45Å
109	Q	41.5	Very low	43.8	Very low	106 Å²	106	105.4 Å²	105.4	50%	0.495	56%	0.556	S	S	.	*			trans	-75.1	143.5	176.1	-66.9	-175.1	37.1	0	0	109.4	K103 H104 T107 V111	K103-Q109 CarbonylContact C-O 3.57Å; H104-Q109 WeakPolarHBondContact CB-O 3.43Å; H104-Q109 PolarHBondContact N-O 2.91Å; T107-Q109 PolarHBondContact O-N 3Å; T107-Q109 WeakPolarHBondContact OG1-CB 3.45Å; T107-Q109 WeakPolarHBondContact OG1-CG 3.49Å; T107-Q109 PolarHBondContact OG1-N 3.47Å; Q109-V111 PolarHBondContact O-N 3.04Å
110	I	47.8	Very low	43.3	Very low	64 Å²	64	107.2 Å²	107.2	33%	0.328	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	118.2	172.1	-54.4	177.8	0	0	0	107.3	I83 L101 R102	I83-I110 HydrophobicContact CD1-CD1 4.49Å; L101-I110 HydrophobicContact CB-CG2 3.51Å; L101-I110 HydrophobicContact CD1-CG2 4.43Å; L101-I110 HydrophobicContact CD2-CG2 3.5Å; L101-I110 HydrophobicContact CG-CG2 3.96Å; R102-I110 CarbonylContact O-C 3.59Å; R102-I110 WeakPolarHBondContact O-CA 3.46Å
111	V	44.4	Very low	42.4	Very low	47 Å²	47	106.9 Å²	106.9	29%	0.285	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	-178.8	-179.3	0	0	0	0	108.2	R102 H104 Q109	R102-V111 PolarHBondContact N-O 3.47Å; R102-V111 PolarHBondContact O-N 2.95Å; R102-V111 VanDerWaalsContact O-O 3.08Å; H104-V111 HydrophobicContact CB-CG2 3.85Å; Q109-V111 PolarHBondContact O-N 3.04Å
112	C	47.3	Very low	41.7	Very low	46 Å²	46	111.7 Å²	111.7	31%	0.311	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.8	120.8	166.8	49.3	0	0	0	0	108.8	L101 F114	L101-C112 HydrophobicContact CD2-CB 4.14Å; C112-F114 HydrophobicContact CB-CD2 4.46Å; C112-F114 HydrophobicContact CB-CE2 4.29Å
113	N	41.6	Very low	41.2	Very low	75 Å²	75	109.5 Å²	109.5	40%	0.401	61%	0.613	S	S	.	*			trans	-93.4	97.1	172.5	-77.8	-11	0	0	0	108.4	H115	N113-H115 VanDerWaalsContact C-N 3.35Å; N113-H115 PolarHBondContact O-N 3.16Å; N113-H115 VanDerWaalsContact O-N 3.15Å
114	F	43.3	Very low	40.2	Very low	195 Å²	195	112 Å²	112	86%	0.855	63%	0.627	S	S	*	*			trans	-78.2	89.3	163.4	-76.7	-83.4	0	0	0	108	C112 H116	C112-F114 HydrophobicContact CB-CD2 4.46Å; C112-F114 HydrophobicContact CB-CE2 4.29Å; F114-H116 PolarHBondContact O-N 3.3Å
115	H	38.4	Very low	40.6	Very low	158 Å²	158	118 Å²	118	73%	0.731	65%	0.652	S	S	*	*			trans	-75.7	108.6	165.8	-97.2	-117.5	0	0	0	108.3	N113 N117	N113-H115 VanDerWaalsContact C-N 3.35Å; N113-H115 PolarHBondContact O-N 3.16Å; N113-H115 VanDerWaalsContact O-N 3.15Å; H115-N117 VanDerWaalsContact C-N 3.33Å; H115-N117 PolarHBondContact O-N 3.04Å
116	H	40.1	Very low	40.3	Very low	167 Å²	167	116.9 Å²	116.9	77%	0.773	65%	0.647	S	S	*	*			trans	-72.6	87.8	168.3	-175.6	-79.2	0	0	0	108.7	F114 S118	F114-H116 PolarHBondContact O-N 3.3Å; H116-S118 VanDerWaalsContact C-N 3.34Å; H116-S118 PolarHBondContact CE1-O 3.4Å; H116-S118 PolarHBondContact ND1-O 3.34Å; H116-S118 PolarHBondContact O-N 3.43Å; H116-S118 VanDerWaalsContact O-N 3.13Å
117	N	30.7	Very low	39.8	Very low	151 Å²	151	119.1 Å²	119.1	81%	0.807	66%	0.655	S	S	*	*			trans	-80.9	84.5	170.4	-114.5	14.8	0	0	0	109.2	H115	H115-N117 VanDerWaalsContact C-N 3.33Å; H115-N117 PolarHBondContact O-N 3.04Å
118	S	38.6	Very low	39.3	Very low	78 Å²	78	120.2 Å²	120.2	55%	0.545	67%	0.671	S	S	.	*			trans	-171	97	150	-90.3	0	0	0	0	108.1	H116 I120	H116-S118 VanDerWaalsContact C-N 3.34Å; H116-S118 PolarHBondContact CE1-O 3.4Å; H116-S118 PolarHBondContact ND1-O 3.34Å; H116-S118 PolarHBondContact O-N 3.43Å; H116-S118 VanDerWaalsContact O-N 3.13Å; S118-I120 PolarHBondContact O-N 2.97Å
119	A	29	Very low	39.3	Very low	110 Å²	110	126.4 Å²	126.4	91%	0.909	69%	0.689	S	S	*	*			trans	-70.4	102.2	162.5	0	0	0	0	0	107.7
120	I	39.3	Very low	39.4	Very low	137 Å²	137	129 Å²	129	70%	0.703	71%	0.705	S	S	*	*			trans	-116.2	124.7	158.6	-58	-178.8	0	0	0	105.7	S118 L122	S118-I120 PolarHBondContact O-N 2.97Å; I120-L122 PolarHBondContact O-N 3.37Å; I120-L122 VanDerWaalsContact O-N 3.14Å
121	P	33.2	Very low	38.7	Very low	127 Å²	127	130.2 Å²	130.2	83%	0.825	73%	0.725	S	S	*	*			trans	-65.7	114.6	-176.5	-12.8	26.5	0	0	0	110.2
122	L	33.4	Very low	38.5	Very low	158 Å²	158	133.6 Å²	133.6	83%	0.827	75%	0.746	S	S	*	*			trans	-81.2	132.2	170	-79	164.4	0	0	0	109.5	I120 Q124	I120-L122 PolarHBondContact O-N 3.37Å; I120-L122 VanDerWaalsContact O-N 3.14Å; L122-Q124 PolarHBondContact O-N 2.98Å
123	P	38.6	Very low	38.1	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	77%	0.774	S	S	*	*			trans	-66.3	123.3	174.5	25.7	-29.9	0	0	0	110.1	K125	P123-K125 PolarHBondContact O-N 3.19Å
124	Q	31.5	Very low	38.4	Very low	191 Å²	191	138.7 Å²	138.7	89%	0.893	79%	0.788	S	S	*	*			trans	-63.1	108	177.2	-65	169	-80.7	0	0	111	L122	L122-Q124 PolarHBondContact O-N 2.98Å
125	K	45.7	Very low	38.5	Very low	197 Å²	197	139.1 Å²	139.1	86%	0.857	79%	0.789	S	S	*	*			trans	-140.9	102.7	153.8	-76.2	-168.8	177.8	173.8	0	111.3	P123	P123-K125 PolarHBondContact O-N 3.19Å
126	S	41.7	Very low	39.1	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	79%	0.788	S	S	*	*			trans	44.4	98.2	145.9	59.7	0	0	0	0	120.3
127	N	35.9	Very low	39.1	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	78%	0.776	S	S	*	*				25.8	108.1	124.4	-44.5	-17	0	0	0	119.1
128	A	38.4	Very low	40.1	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	78%	0.776	S	S	*	*			trans	-179.4	132.5	132.3	0	0	0	0	0	109.8
129	E	44.8	Very low	40.2	Very low	169 Å²	169	133.3 Å²	133.3	79%	0.79	78%	0.78	S	S	*	*			trans	60.7	93.9	162	-104.1	167.9	102.9	0	0	117.8
130	L	44.1	Very low	41.4	Very low	160 Å²	160	137.6 Å²	137.6	84%	0.838	78%	0.781	S	S	*	*				50.4	94.3	66.4	-155	70.8	0	0	0	113.7
131	A	33.3	Very low	42.2	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	78%	0.775	S	S	*	*			trans	46.3	84.6	143.1	0	0	0	0	0	117.5
132	T	40.8	Very low	43.3	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	76%	0.762	S	S	*	*			trans	-138.2	116.7	154.5	32.7	0	0	0	0	111.6	S134	T132-S134 PolarHBondContact O-N 3.36Å; T132-S134 VanDerWaalsContact O-N 3.13Å
133	S	38.4	Very low	44.7	Very low	128 Å²	128	132.4 Å²	132.4	90%	0.895	75%	0.752	S	S	*	*			trans	-59.3	100.9	167.9	170.1	0	0	0	0	110
134	S	47.3	Very low	46.2	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	74%	0.743	S	S	*	*			trans	-124.8	95.6	170.7	-79.3	0	0	0	0	110.8	T132 I136	T132-S134 PolarHBondContact O-N 3.36Å; T132-S134 VanDerWaalsContact O-N 3.13Å; S134-I136 PolarHBondContact O-N 3.3Å
135	K	45.8	Very low	48	Very low	204 Å²	204	129.1 Å²	129.1	89%	0.887	73%	0.728	S	S	*	*			trans	11.2	94.4	138.7	-163.5	176.5	-175.7	-168.8	0	113.4	G137	K135-G137 VanDerWaalsContact C-N 3.26Å; K135-G137 PolarHBondContact O-N 3.49Å
136	I	51.7	Low	49	Very low	138 Å²	138	121 Å²	121	71%	0.708	70%	0.697	S	S	*	*			trans	-67.6	91.2	169.2	-61.8	162.5	0	0	0	106.4	S134 L138	S134-I136 PolarHBondContact O-N 3.3Å; I136-L138 HydrophobicContact CG2-CD2 4.24Å; I136-L138 HydrophobicContact CG2-CG 4.35Å; I136-L138 PolarHBondContact O-N 2.98Å
137	G	39.2	Very low	50.4	Low	50 Å²	50	121.8 Å²	121.8	52%	0.515	69%	0.69	S	S	.	*			trans	-74.3	104.1	166.1	0	0	0	0	0	108	K135 S139	K135-G137 VanDerWaalsContact C-N 3.26Å; K135-G137 PolarHBondContact O-N 3.49Å; G137-S139 PolarHBondContact O-N 3.14Å
138	L	50.8	Low	52.6	Low	154 Å²	154	119 Å²	119	81%	0.806	68%	0.675	S	S	*	*			trans	-74.9	77.1	165.9	-66.1	171.3	0	0	0	107.8	I136	I136-L138 HydrophobicContact CG2-CD2 4.24Å; I136-L138 HydrophobicContact CG2-CG 4.35Å; I136-L138 PolarHBondContact O-N 2.98Å
139	S	42.3	Very low	54.7	Low	91 Å²	91	119.4 Å²	119.4	64%	0.636	66%	0.66	S	S	*	*	S	Bend	trans	-131.9	108.9	167	60.7	0	0	0	0	107.7	G137	G137-S139 PolarHBondContact O-N 3.14Å
140	E	53.9	Low	56.6	Low	200 Å²	200	116.8 Å²	116.8	94%	0.935	65%	0.646	S	S	*	*			trans	67	48.2	166.3	-57.3	-176.4	155	0	0	117.4
141	V	55.4	Low	58.4	Low	94 Å²	94	111.2 Å²	111.2	57%	0.57	62%	0.623	S	S	*	*			trans	-98.9	112.1	167.9	-168	0	0	0	0	108.8	D143 K145	V141-D143 PolarHBondContact O-N 3.17Å; V141-K145 HydrophobicContact CG1-CB 4.13Å
142	N	56.5	Low	60.9	Low	103 Å²	103	111.3 Å²	111.3	55%	0.551	61%	0.61	S	S	*	*			trans	-26.6	120.3	172.1	-168.1	33.4	0	0	0	112.3	D144 K145 A146	N142-D144 PolarHBondContact ND2-OD2 3.05Å; N142-D144 PolarHBondContact O-N 3.48Å; N142-K145 PolarHBondContact O-N 3.29Å; N142-A146 PolarHBondContact O-N 3.44Å
143	D	63.6	Low	63	Low	116 Å²	116	108.3 Å²	108.3	62%	0.62	59%	0.589	S	S	*	*	H	α-helix	trans	-49.3	-36.2	-168.9	-134.1	-23.1	0	0	0	112.1	V141 K145 A146 Q147	V141-D143 PolarHBondContact O-N 3.17Å; D143-K145 PolarHBondContact O-N 3.08Å; D143-A146 PolarHBondContact O-N 3.44Å; D143-Q147 WeakPolarHBondContact O-CG 3.24Å; D143-Q147 PolarHBondContact O-N 3.33Å; D143-Q147 VanDerWaalsContact O-N 3.07Å
144	D	70	Confident	65.1	Low	110 Å²	110	109.2 Å²	109.2	59%	0.588	58%	0.579	S	S	*	*	H	α-helix	trans	-59.6	-39.3	177.7	-52.4	-38.2	0	0	0	113.7	N142 D148	N142-D144 PolarHBondContact ND2-OD2 3.05Å; N142-D144 PolarHBondContact O-N 3.48Å; D144-D148 PolarHBondContact O-N 3.42Å
145	K	67.9	Low	66.7	Low	133 Å²	133	113.8 Å²	113.8	58%	0.578	58%	0.581	S	S	*	*	H	α-helix	trans	-79.7	-28.1	-179.3	-64.6	-61.5	-173.4	-175.4	0	112.1	V141 N142 D143 F149	V141-K145 HydrophobicContact CG1-CB 4.13Å; N142-K145 PolarHBondContact O-N 3.29Å; D143-K145 PolarHBondContact O-N 3.08Å; K145-F149 PolarHBondContact O-N 3.42Å
146	A	66.5	Low	68.5	Low	25 Å²	25	109.6 Å²	109.6	21%	0.207	57%	0.568	C	S	.	*	H	α-helix	trans	-67.5	-43.7	173.5	0	0	0	0	0	110.3	N142 D143 D148 F149 F150	N142-A146 PolarHBondContact O-N 3.44Å; D143-A146 PolarHBondContact O-N 3.44Å; A146-D148 VanDerWaalsContact C-N 3.35Å; A146-D148 PolarHBondContact O-N 3.38Å; A146-F149 WeakPolarHBondContact O-CB 3.46Å; A146-F149 PolarHBondContact O-N 3.01Å; A146-F149 VanDerWaalsContact O-N 3.13Å; A146-F150 HydrophobicContact CB-CE2 4.37Å; A146-F150 WeakPolarHBondContact O-CD2 3.43Å; A146-F150 PolarHBondContact O-N 3.21Å
147	Q	72.6	Confident	69.7	Low	120 Å²	120	108.6 Å²	108.6	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-59.9	-42.1	176.3	-66.7	-63.2	-12.3	0	0	112.5	D143 F149 F150 A151	D143-Q147 WeakPolarHBondContact O-CG 3.24Å; D143-Q147 PolarHBondContact O-N 3.33Å; D143-Q147 VanDerWaalsContact O-N 3.07Å; Q147-F149 VanDerWaalsContact C-N 3.32Å; Q147-F149 PolarHBondContact O-N 3.23Å; Q147-F150 PolarHBondContact O-N 3.23Å; Q147-A151 WeakPolarHBondContact O-CB 3.14Å; Q147-A151 PolarHBondContact O-N 3.36Å
148	D	82.3	Confident	71.5	Confident	106 Å²	106	109.5 Å²	109.5	57%	0.567	56%	0.559	S	S	*	*	H	α-helix	trans	-60.8	-39	174.2	-79.9	-15.8	0	0	0	112.6	D144 A146 L152	D144-D148 PolarHBondContact O-N 3.42Å; A146-D148 VanDerWaalsContact C-N 3.35Å; A146-D148 PolarHBondContact O-N 3.38Å; D148-L152 WeakPolarHBondContact O-CB 3.14Å; D148-L152 PolarHBondContact O-N 3.49Å
149	F	81.7	Confident	72.3	Confident	99 Å²	99	108.2 Å²	108.2	43%	0.434	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-42.2	178.3	177.1	-106	0	0	0	112.4	K145 A146 Q147 L152 L153	K145-F149 PolarHBondContact O-N 3.42Å; A146-F149 WeakPolarHBondContact O-CB 3.46Å; A146-F149 PolarHBondContact O-N 3.01Å; A146-F149 VanDerWaalsContact O-N 3.13Å; Q147-F149 VanDerWaalsContact C-N 3.32Å; Q147-F149 PolarHBondContact O-N 3.23Å; F149-L152 WeakPolarHBondContact O-CB 3.39Å; F149-L152 PolarHBondContact O-N 3.1Å; F149-L153 HydrophobicContact CD1-CD1 3.98Å; F149-L153 HydrophobicContact CD1-CG 4.5Å; F149-L153 HydrophobicContact CE1-CD1 3.37Å; F149-L153 HydrophobicContact CE1-CG 4.08Å; F149-L153 HydrophobicContact CE2-CD1 4.44Å; F149-L153 HydrophobicContact CE2-CG 4.32Å; F149-L153 HydrophobicContact CZ-CD1 3.64Å; F149-L153 HydrophobicContact CZ-CD2 4.22Å; F149-L153 HydrophobicContact CZ-CG 3.97Å; F149-L153 WeakPolarHBondContact O-CG 3.48Å; F149-L153 PolarHBondContact O-N 3.29Å
150	F	84.5	Confident	73.5	Confident	114 Å²	114	112.7 Å²	112.7	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-65.7	-41.9	176.1	-74.1	-67.5	0	0	0	111.7	A146 Q147 L152 L153 E154	A146-F150 HydrophobicContact CB-CE2 4.37Å; A146-F150 WeakPolarHBondContact O-CD2 3.43Å; A146-F150 PolarHBondContact O-N 3.21Å; Q147-F150 PolarHBondContact O-N 3.23Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 3.45Å; F150-L153 PolarHBondContact O-N 3.19Å; F150-E154 WeakPolarHBondContact O-CB 3.4Å; F150-E154 PolarHBondContact O-N 2.96Å
151	A	82.7	Confident	74	Confident	42 Å²	42	109 Å²	109	35%	0.347	54%	0.541	S	S	.	.	H	α-helix	trans	-61.1	-36.1	174.6	0	0	0	0	0	112.3	Q147 R155	Q147-A151 WeakPolarHBondContact O-CB 3.14Å; Q147-A151 PolarHBondContact O-N 3.36Å; A151-R155 WeakPolarHBondContact O-CB 3.48Å; A151-R155 WeakPolarHBondContact O-CG 3.48Å; A151-R155 PolarHBondContact O-N 2.94Å; A151-R155 VanDerWaalsContact O-N 3.13Å
152	L	84.4	Confident	74.5	Confident	93 Å²	93	109.8 Å²	109.8	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-66.8	-46	173.9	179.7	63	0	0	0	111.8	D148 F149 F150 R155 L156	D148-L152 WeakPolarHBondContact O-CB 3.14Å; D148-L152 PolarHBondContact O-N 3.49Å; F149-L152 WeakPolarHBondContact O-CB 3.39Å; F149-L152 PolarHBondContact O-N 3.1Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 3.45Å; L152-R155 PolarHBondContact O-N 3.5Å; L152-L156 HydrophobicContact CD1-CD1 4Å; L152-L156 HydrophobicContact CD1-CG 4.14Å; L152-L156 HydrophobicContact CG-CD1 3.91Å; L152-L156 HydrophobicContact CG-CG 4.42Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 VanDerWaalsContact O-CG 3.24Å; L152-L156 WeakPolarHBondContact O-CG 3.41Å; L152-L156 PolarHBondContact O-N 2.78Å
153	L	85.3	Confident	75	Confident	55 Å²	55	112.1 Å²	112.1	29%	0.288	55%	0.551	S	S	.	*	H	α-helix	trans	-61.3	-45.4	177.7	-75.9	178.5	0	0	0	112.2	F149 F150 R155 L156 Q157	F149-L153 HydrophobicContact CD1-CD1 3.98Å; F149-L153 HydrophobicContact CD1-CG 4.5Å; F149-L153 HydrophobicContact CE1-CD1 3.37Å; F149-L153 HydrophobicContact CE1-CG 4.08Å; F149-L153 HydrophobicContact CE2-CD1 4.44Å; F149-L153 HydrophobicContact CE2-CG 4.32Å; F149-L153 HydrophobicContact CZ-CD1 3.64Å; F149-L153 HydrophobicContact CZ-CD2 4.22Å; F149-L153 HydrophobicContact CZ-CG 3.97Å; F149-L153 WeakPolarHBondContact O-CG 3.48Å; F149-L153 PolarHBondContact O-N 3.29Å; F150-L153 PolarHBondContact O-N 3.19Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-R155 PolarHBondContact O-N 3.16Å; L153-L156 PolarHBondContact O-N 3.11Å; L153-Q157 WeakPolarHBondContact O-CB 3.48Å; L153-Q157 WeakPolarHBondContact O-CG 3.4Å; L153-Q157 PolarHBondContact O-N 3.13Å
154	E	81.8	Confident	75	Confident	146 Å²	146	113.8 Å²	113.8	68%	0.682	56%	0.555	S	S	*	*	H	α-helix	trans	-59.7	-45.8	178.3	-173.4	176.1	-175	0	0	110.7	F150 L156 Q157 S158	F150-E154 WeakPolarHBondContact O-CB 3.4Å; F150-E154 PolarHBondContact O-N 2.96Å; E154-L156 PolarHBondContact O-N 3.21Å; E154-Q157 PolarHBondContact O-N 3.38Å; E154-S158 WeakPolarHBondContact O-CA 3.06Å; E154-S158 WeakPolarHBondContact O-CB 3.19Å; E154-S158 PolarHBondContact O-N 3.03Å; E154-S158 PolarHBondContact O-OG 3.04Å
155	R	82.8	Confident	75	Confident	197 Å²	197	116.8 Å²	116.8	74%	0.743	56%	0.559	S	S	*	*	H	α-helix	trans	-58.8	-47.5	173.8	-80.7	179.1	150.4	134.6	-2.3	112.7	A151 L152 L153 Q157 S158	A151-R155 WeakPolarHBondContact O-CB 3.48Å; A151-R155 WeakPolarHBondContact O-CG 3.48Å; A151-R155 PolarHBondContact O-N 2.94Å; A151-R155 VanDerWaalsContact O-N 3.13Å; L152-R155 PolarHBondContact O-N 3.5Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-R155 PolarHBondContact O-N 3.16Å; R155-Q157 PolarHBondContact O-N 3.13Å; R155-S158 PolarHBondContact O-OG 2.85Å
156	L	82.3	Confident	74.8	Confident	115 Å²	115	116.3 Å²	116.3	60%	0.602	57%	0.571	S	S	*	*	H	α-helix	trans	-69.4	-19.4	-178.1	-69	174.7	0	0	0	114	L152 L153 E154	L152-L156 HydrophobicContact CD1-CD1 4Å; L152-L156 HydrophobicContact CD1-CG 4.14Å; L152-L156 HydrophobicContact CG-CD1 3.91Å; L152-L156 HydrophobicContact CG-CG 4.42Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 VanDerWaalsContact O-CG 3.24Å; L152-L156 WeakPolarHBondContact O-CG 3.41Å; L152-L156 PolarHBondContact O-N 2.78Å; L153-L156 PolarHBondContact O-N 3.11Å; E154-L156 PolarHBondContact O-N 3.21Å
157	Q	78.3	Confident	75	Confident	118 Å²	118	119.4 Å²	119.4	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-112.1	-19.9	-175.1	-65.6	-175.7	-7	0	0	114.4	L153 E154 R155 D159 R160	L153-Q157 WeakPolarHBondContact O-CB 3.48Å; L153-Q157 WeakPolarHBondContact O-CG 3.4Å; L153-Q157 PolarHBondContact O-N 3.13Å; E154-Q157 PolarHBondContact O-N 3.38Å; R155-Q157 PolarHBondContact O-N 3.13Å; Q157-D159 PolarHBondContact O-N 3.34Å; Q157-R160 PolarHBondContact O-N 3.4Å; Q157-R160 VanDerWaalsContact O-N 3.11Å
158	S	75.1	Confident	74.6	Confident	68 Å²	68	123.1 Å²	123.1	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-52.2	-41.7	-178.2	54.8	0	0	0	0	112.8	E154 R155 R160 L161	E154-S158 WeakPolarHBondContact O-CA 3.06Å; E154-S158 WeakPolarHBondContact O-CB 3.19Å; E154-S158 PolarHBondContact O-N 3.03Å; E154-S158 PolarHBondContact O-OG 3.04Å; R155-S158 PolarHBondContact O-OG 2.85Å; S158-R160 VanDerWaalsContact C-N 3.26Å; S158-R160 PolarHBondContact O-N 3.21Å; S158-L161 PolarHBondContact O-N 2.77Å
159	D	67.7	Low	74.2	Confident	127 Å²	127	123.2 Å²	123.2	68%	0.679	61%	0.611	S	S	*	*	H	α-helix	trans	-66.9	-25.2	-176.1	-138.3	27.1	0	0	0	113.3	Q157 L161	Q157-D159 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact C-N 3.29Å; D159-L161 PolarHBondContact O-N 3.34Å
160	R	69	Low	73.9	Confident	185 Å²	185	126 Å²	126	70%	0.698	63%	0.63	S	S	*	*	H	α-helix	trans	-79.1	-12.1	-177.6	-61.8	-174.6	179.1	-137.6	-1.5	113.9	Q157 S158	Q157-R160 PolarHBondContact O-N 3.4Å; Q157-R160 VanDerWaalsContact O-N 3.11Å; S158-R160 VanDerWaalsContact C-N 3.26Å; S158-R160 PolarHBondContact O-N 3.21Å
161	L	63	Low	73.3	Confident	122 Å²	122	126.5 Å²	126.5	64%	0.639	65%	0.645	S	S	*	*	H	α-helix	trans	-88.6	-28.9	-179	-69.5	177.1	0	0	0	112.2	S158 D159 Q164	S158-L161 PolarHBondContact O-N 2.77Å; D159-L161 VanDerWaalsContact C-N 3.29Å; D159-L161 PolarHBondContact O-N 3.34Å; L161-Q164 PolarHBondContact O-N 3.23Å
162	E	66.9	Low	72.2	Confident	112 Å²	112	129.5 Å²	129.5	52%	0.523	66%	0.663	S	S	.	*	H	α-helix	trans	-73.1	-42.1	-178.8	-162	58.7	-150.3	0	0	111.6	Q164 R165	E162-Q164 PolarHBondContact O-N 2.99Å; E162-R165 WeakPolarHBondContact O-CB 3.41Å; E162-R165 PolarHBondContact O-N 3.4Å; E162-R165 VanDerWaalsContact OE1-CD 3.31Å; E162-R165 WeakPolarHBondContact OE1-CD 3.22Å; E162-R165 IonicContact OE1-NE 3.52Å; E162-R165 WeakPolarHBondContact OE2-CD 3Å; E162-R165 IonicContact OE2-CZ 3.52Å; E162-R165 IonicContact OE2-NE 2.71Å; E162-R165 PolarHBondContact OE2-NE 3.07Å; E162-R165 IonicContact OE2-NH2 3.61Å
163	D	66.6	Low	70.8	Confident	151 Å²	151	129.8 Å²	129.8	81%	0.807	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-17.2	176.8	-76.9	-18.8	0	0	0	114.2
164	Q	63.5	Low	69.3	Low	151 Å²	151	133.4 Å²	133.4	71%	0.706	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	0.2	176.1	-69.9	-175.3	38.4	0	0	113.5	L161 E162 C166	L161-Q164 PolarHBondContact O-N 3.23Å; E162-Q164 PolarHBondContact O-N 2.99Å; Q164-C166 VanDerWaalsContact C-N 3.29Å; Q164-C166 PolarHBondContact O-N 3.07Å
165	R	70.4	Confident	67.8	Low	174 Å²	174	130.8 Å²	130.8	66%	0.657	71%	0.706	S	S	*	*			trans	-75.8	87.1	171.9	-62.7	-168.6	-168.8	-114.2	2.3	108.9	E162 A167	E162-R165 WeakPolarHBondContact O-CB 3.41Å; E162-R165 PolarHBondContact O-N 3.4Å; E162-R165 VanDerWaalsContact OE1-CD 3.31Å; E162-R165 WeakPolarHBondContact OE1-CD 3.22Å; E162-R165 IonicContact OE1-NE 3.52Å; E162-R165 WeakPolarHBondContact OE2-CD 3Å; E162-R165 IonicContact OE2-CZ 3.52Å; E162-R165 IonicContact OE2-NE 2.71Å; E162-R165 PolarHBondContact OE2-NE 3.07Å; E162-R165 IonicContact OE2-NH2 3.61Å; R165-A167 PolarHBondContact O-N 3.31Å
166	C	62.9	Low	66.3	Low	123 Å²	123	126.4 Å²	126.4	83%	0.831	71%	0.706	S	S	*	*			trans	-60.1	114.2	163	-62.9	0	0	0	0	108.1	Q164 W168	Q164-C166 VanDerWaalsContact C-N 3.29Å; Q164-C166 PolarHBondContact O-N 3.07Å; C166-W168 PolarHBondContact O-N 3.35Å
167	A	70.6	Confident	64.5	Low	90 Å²	90	127.7 Å²	127.7	74%	0.744	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-54.8	125.1	162.9	0	0	0	0	0	107.5	R165 P169	R165-A167 PolarHBondContact O-N 3.31Å; A167-P169 WeakPolarHBondContact O-CD 3.49Å
168	W	65.3	Low	63.1	Low	198 Å²	198	127.6 Å²	127.6	75%	0.75	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-64.1	121.7	176.1	-165.2	-87.3	0	0	0	107.6	C166 L170	C166-W168 PolarHBondContact O-N 3.35Å; W168-L170 PolarHBondContact O-N 3.13Å; W168-L170 VanDerWaalsContact O-N 3.07Å
169	P	73	Confident	61.8	Low	107 Å²	107	129.9 Å²	129.9	70%	0.695	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-62.2	117.9	176.7	21.7	-28.4	0	0	0	108.5	A167	A167-P169 WeakPolarHBondContact O-CD 3.49Å
170	L	76.3	Confident	61.2	Low	159 Å²	159	130.1 Å²	130.1	83%	0.832	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-63.1	133.7	170	-73.8	155.3	0	0	0	107.9	W168 S172	W168-L170 PolarHBondContact O-N 3.13Å; W168-L170 VanDerWaalsContact O-N 3.07Å; L170-S172 PolarHBondContact O-N 3.18Å
171	P	72.1	Confident	60.1	Low	124 Å²	124	124.9 Å²	124.9	81%	0.805	74%	0.744	S	S	*	*			trans	-65.5	107.5	179	24.6	-31	0	0	0	110.2	A173	P171-A173 PolarHBondContact O-N 3.01Å
172	S	58.9	Low	59.5	Low	105 Å²	105	128.7 Å²	128.7	73%	0.734	76%	0.756	S	S	*	*			trans	-75.6	111.6	169.4	64.2	0	0	0	0	109	L170 V174	L170-S172 PolarHBondContact O-N 3.18Å; S172-V174 PolarHBondContact O-N 2.87Å
173	A	54.3	Low	59	Low	98 Å²	98	132.2 Å²	132.2	81%	0.81	77%	0.77	S	S	*	*			trans	-68.4	95.5	176.3	0	0	0	0	0	111	P171	P171-A173 PolarHBondContact O-N 3.01Å
174	V	53.8	Low	58.3	Low	131 Å²	131	136.9 Å²	136.9	79%	0.794	79%	0.794	S	S	*	*			trans	-169.3	144	161.8	-87.7	0	0	0	0	112.2	S172	S172-V174 PolarHBondContact O-N 2.87Å
175	A	51.4	Low	58	Low	91 Å²	91	136.2 Å²	136.2	75%	0.752	80%	0.798	S	S	*	*			trans	84.7	85.3	168.4	0	0	0	0	0	116.2
176	S	51.6	Low	57.4	Low	106 Å²	106	134.2 Å²	134.2	74%	0.741	81%	0.806	S	S	*	*				65.2	91.6	65.2	-43.3	0	0	0	0	114
177	T	43.9	Very low	57.1	Low	141 Å²	141	134.8 Å²	134.8	87%	0.865	80%	0.804	S	S	*	*			trans	54	106.4	134	60.2	0	0	0	0	119.9
178	S	49.9	Very low	56.3	Low	117 Å²	117	137.5 Å²	137.5	82%	0.818	81%	0.808	S	S	*	*			trans	-153.7	103.4	139.1	62.5	0	0	0	0	110.6
179	S	47.3	Very low	55.7	Low	115 Å²	115	133.7 Å²	133.7	80%	0.804	81%	0.812	S	S	*	*			trans	-74.6	135.4	170	173.3	0	0	0	0	109.9
180	V	53.9	Low	54.5	Low	133 Å²	133	135.5 Å²	135.5	81%	0.806	82%	0.819	S	S	*	*			trans	-133	111.7	158.2	-147.4	0	0	0	0	108.1
181	S	47.6	Very low	53	Low	74 Å²	74	133.8 Å²	133.8	52%	0.517	82%	0.818	S	S	.	*			trans	-86.5	141	175	174.4	0	0	0	0	109.6	F183	S181-F183 WeakPolarHBondContact OG-CD2 3.39Å
182	F	50.3	Low	51.5	Low	203 Å²	203	134.5 Å²	134.5	89%	0.89	82%	0.819	S	S	*	*			trans	-122.3	113.7	159.3	-104.9	-90.8	0	0	0	107.5
183	F	54.7	Low	50.9	Low	185 Å²	185	137 Å²	137	81%	0.811	83%	0.827	S	S	*	*			trans	-101.4	146.9	164.7	-92.3	-87.9	0	0	0	108.3	S181	S181-F183 WeakPolarHBondContact OG-CD2 3.39Å
184	L	52.3	Low	50.6	Low	250 Å²	250	140.5 Å²	140.5	100%	1.309	83%	0.828	S	S	*	*			trans	91	0	-177.9	-62.1	163.7	0	0	0	115.3

Retrieved 184 of 184 residues in 99.5 ms (Link to these results)

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