A0A3Q0KT41_SCHMA Loading...

DUF2693 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KT41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 aa.

						>A0A3Q0KT41_SCHMA|A0A3Q0KT41
MKYFESLSFTEQATSQAFKARCLVGFINRCVEDEKWIPYGMDELIFTLRFKIACDKAALNCDTLRFANDVNYDLQNHDFVLKITRTSNELR
					

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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	33.5	Very low	47.7	Very low	222 Å²	222	127.6 Å²	127.6	100%	1.094	64%	0.644	S	S	*	*				0	118.2	0	-82.3	176.2	173.5	0	0	108.3
2	K	41.6	Very low	48.2	Very low	153 Å²	153	132.8 Å²	132.8	67%	0.665	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-80.6	128	163.7	-79.7	-178.6	179.2	172	0	107.2	K35	K2-K35 PolarHBondContact NZ-O 3.25Å
3	Y	40.7	Very low	48.5	Very low	210 Å²	210	130 Å²	130	82%	0.824	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-76	138.7	-179.7	-79.4	-96.6	0	0	0	110	E5	Y3-E5 PolarHBondContact O-N 2.83Å
4	F	48.9	Very low	49.6	Very low	68 Å²	68	123.9 Å²	123.9	30%	0.298	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-65.9	127.8	173.1	-96	-85.3	0	0	0	110.4	S6 F26 W36 F46 L48	F4-S6 PolarHBondContact O-N 3.12Å; F4-F26 AromaticContact CD1-CE1 3.8Å; F4-F26 HydrophobicContact CD1-CE1 3.8Å; F4-F26 HydrophobicContact CD1-CZ 4.13Å; F4-F26 AromaticContact CE1-CE1 3.58Å; F4-F26 HydrophobicContact CE1-CE1 3.58Å; F4-F26 HydrophobicContact CE1-CZ 4.12Å; F4-W36 HydrophobicContact CE1-CZ3 4.19Å; F4-W36 HydrophobicContact CE2-CZ3 4.41Å; F4-W36 AromaticContact CZ-CZ3 3.99Å; F4-W36 HydrophobicContact CZ-CZ3 3.99Å; F4-F46 AromaticContact CE2-CD2 3.66Å; F4-F46 HydrophobicContact CE2-CD2 3.66Å; F4-F46 HydrophobicContact CE2-CE2 4.22Å; F4-F46 HydrophobicContact CE2-CG 4.43Å; F4-F46 AromaticContact CZ-CD2 3.76Å; F4-F46 HydrophobicContact CZ-CD2 3.76Å; F4-F46 AromaticContact CZ-CE2 3.83Å; F4-F46 HydrophobicContact CZ-CE2 3.83Å; F4-L48 HydrophobicContact CD1-CD2 3.45Å; F4-L48 VanDerWaalsContact CD1-CD2 3.45Å; F4-L48 HydrophobicContact CD2-CD2 3.64Å; F4-L48 HydrophobicContact CE1-CD2 3.12Å; F4-L48 HydrophobicContact CE2-CD2 3.31Å; F4-L48 HydrophobicContact CE2-CG 4.44Å; F4-L48 HydrophobicContact CG-CD2 3.72Å; F4-L48 HydrophobicContact CZ-CD2 3.07Å; F4-L48 HydrophobicContact CZ-CG 4.28Å
5	E	45.4	Very low	51.1	Low	161 Å²	161	120.5 Å²	120.5	75%	0.752	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-60.4	130.1	157.7	-75.4	-176.6	156.4	0	0	107.9	Y3 L7	Y3-E5 PolarHBondContact O-N 2.83Å; E5-L7 PolarHBondContact O-N 2.89Å
6	S	51.3	Low	52.2	Low	108 Å²	108	119.3 Å²	119.3	76%	0.755	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-65.1	117.5	178.3	57.2	0	0	0	0	109.8	F4 S8	F4-S6 PolarHBondContact O-N 3.12Å; S6-S8 PolarHBondContact O-N 2.69Å
7	L	51.7	Low	53.1	Low	54 Å²	54	116 Å²	116	28%	0.283	62%	0.621	S	S	.	*			trans	-70.8	106.1	160.4	-91.2	159.6	0	0	0	108.4	E5 F9 L23 F26 F50	E5-L7 PolarHBondContact O-N 2.89Å; L7-F9 HydrophobicContact CB-CE2 4.35Å; L7-F9 HydrophobicContact CD2-CE2 4.44Å; L7-L23 HydrophobicContact CD1-CD1 4.31Å; L7-F26 HydrophobicContact CD1-CB 3.84Å; L7-F26 HydrophobicContact CD1-CD1 3.26Å; L7-F26 HydrophobicContact CD1-CD2 4Å; L7-F26 HydrophobicContact CD1-CE1 3.64Å; L7-F26 HydrophobicContact CD1-CE2 4.35Å; L7-F26 HydrophobicContact CD1-CG 3.44Å; L7-F26 VanDerWaalsContact CD1-CG 3.44Å; L7-F26 HydrophobicContact CD1-CZ 4.18Å; L7-F26 HydrophobicContact CG-CD1 4.31Å; L7-F26 HydrophobicContact CG-CD2 4.37Å; L7-F26 HydrophobicContact CG-CE1 4.36Å; L7-F26 HydrophobicContact CG-CE2 4.47Å; L7-F26 HydrophobicContact CG-CG 4.29Å; L7-F26 HydrophobicContact CG-CZ 4.46Å; L7-F50 HydrophobicContact CB-CD1 4.46Å; L7-F50 HydrophobicContact CB-CE1 4.22Å; L7-F50 HydrophobicContact CD1-CE1 3.82Å
8	S	52.8	Low	54.2	Low	104 Å²	104	115.3 Å²	115.3	73%	0.727	61%	0.611	S	S	*	*			trans	-97.7	130.7	167.5	63.9	0	0	0	0	109.5	S6	S6-S8 PolarHBondContact O-N 2.69Å
9	F	53.4	Low	55.1	Low	36 Å²	36	111.2 Å²	111.2	16%	0.158	59%	0.588	C	S	.	*			trans	-102.3	128.1	165.4	-68.3	-107.9	0	0	0	105.6	L7 E11 K19 C22 I52	L7-F9 HydrophobicContact CB-CE2 4.35Å; L7-F9 HydrophobicContact CD2-CE2 4.44Å; F9-E11 PolarHBondContact O-N 3.17Å; F9-K19 HydrophobicContact CD1-CG 3.82Å; F9-K19 HydrophobicContact CE1-CB 4.28Å; F9-K19 HydrophobicContact CE1-CG 4Å; F9-K19 HydrophobicContact CG-CG 4.25Å; F9-C22 HydrophobicContact CE1-CB 3.61Å; F9-C22 HydrophobicContact CZ-CB 3.55Å; F9-I52 HydrophobicContact CD2-CD1 3.06Å; F9-I52 HydrophobicContact CD2-CG1 3.89Å; F9-I52 HydrophobicContact CE2-CD1 3.15Å; F9-I52 HydrophobicContact CE2-CG1 4.38Å; F9-I52 HydrophobicContact CG-CD1 4.11Å; F9-I52 HydrophobicContact CZ-CD1 4.25Å
10	T	54.4	Low	56	Low	126 Å²	126	105.7 Å²	105.7	77%	0.773	56%	0.559	S	S	*	*			trans	-60.2	114	169.3	47	0	0	0	0	107.7
11	E	50.7	Low	56.8	Low	162 Å²	162	110.3 Å²	110.3	76%	0.757	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	145.7	-172.7	-66.7	178	155.8	0	0	111.3	F9	F9-E11 PolarHBondContact O-N 3.17Å
12	Q	53.6	Low	58.7	Low	189 Å²	189	101.9 Å²	101.9	88%	0.883	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-36.6	167.2	-53.9	178.8	-0.9	0	0	119.7
13	A	53	Low	60.2	Low	97 Å²	97	94.8 Å²	94.8	80%	0.802	50%	0.5	S	S	*	.	S	Bend	trans	-90.8	-22.4	-170.4	0	0	0	0	0	116.4
14	T	63.5	Low	61.7	Low	44 Å²	44	85.2 Å²	85.2	27%	0.27	46%	0.464	S	S	.	.	S	Bend	trans	-101.8	130.4	-171.4	57.3	0	0	0	0	112.1	F18 K19	T14-F18 HydrophobicContact CG2-CD1 3.56Å; T14-F18 HydrophobicContact CG2-CE1 3.72Å; T14-F18 HydrophobicContact CG2-CG 4.44Å; T14-K19 WeakPolarHBondContact OG1-CE 3.28Å
15	S	72.2	Confident	63	Low	73 Å²	73	83.8 Å²	83.8	51%	0.51	47%	0.468	S	S	.	.			trans	-56.6	154	175.6	70.4	0	0	0	0	112.2	A17 F18 K19	S15-A17 PolarHBondContact O-N 3.33Å; S15-F18 WeakPolarHBondContact O-CB 2.88Å; S15-F18 PolarHBondContact O-N 2.89Å; S15-F18 VanDerWaalsContact O-N 3.07Å; S15-F18 WeakPolarHBondContact OG-CB 3.23Å; S15-F18 PolarHBondContact OG-N 3.5Å; S15-K19 PolarHBondContact O-N 3.31Å
16	Q	68.8	Low	64.3	Low	102 Å²	102	78.4 Å²	78.4	48%	0.477	44%	0.442	S	S	.	.	H	α-helix	trans	-56.8	-37.3	175	-69.1	-176.5	-8.4	0	0	112	F18 K19 A20	Q16-F18 PolarHBondContact O-N 2.89Å; Q16-K19 WeakPolarHBondContact O-CB 3.5Å; Q16-K19 PolarHBondContact O-N 2.76Å; Q16-A20 PolarHBondContact O-N 3.06Å
17	A	67.7	Low	65.4	Low	63 Å²	63	73.6 Å²	73.6	52%	0.521	41%	0.408	S	S	.	.	H	α-helix	trans	-63	-39.6	175.3	0	0	0	0	0	112.6	S15 R21	S15-A17 PolarHBondContact O-N 3.33Å; A17-R21 PolarHBondContact O-N 2.95Å
18	F	73.2	Confident	66.4	Low	104 Å²	104	72 Å²	72	46%	0.456	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-45.1	175.4	-178.3	-93.9	0	0	0	111.5	T14 S15 Q16 A20 R21 C22	T14-F18 HydrophobicContact CG2-CD1 3.56Å; T14-F18 HydrophobicContact CG2-CE1 3.72Å; T14-F18 HydrophobicContact CG2-CG 4.44Å; S15-F18 WeakPolarHBondContact O-CB 2.88Å; S15-F18 PolarHBondContact O-N 2.89Å; S15-F18 VanDerWaalsContact O-N 3.07Å; S15-F18 WeakPolarHBondContact OG-CB 3.23Å; S15-F18 PolarHBondContact OG-N 3.5Å; Q16-F18 PolarHBondContact O-N 2.89Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.46Å; F18-R21 PolarHBondContact O-N 3.35Å; F18-R21 VanDerWaalsContact O-N 3.14Å; F18-C22 WeakPolarHBondContact CE1-SG 3.48Å; F18-C22 VanDerWaalsContact CZ-SG 3.53Å; F18-C22 PolarHBondContact O-N 3.38Å
19	K	71.1	Confident	67.3	Low	37 Å²	37	76.1 Å²	76.1	16%	0.161	40%	0.399	C	S	.	.	H	α-helix	trans	-56.6	-47.1	176.6	-74.4	160.6	154.1	-171.1	0	111.7	F9 T14 S15 Q16 R21 C22 L23 I52	F9-K19 HydrophobicContact CD1-CG 3.82Å; F9-K19 HydrophobicContact CE1-CB 4.28Å; F9-K19 HydrophobicContact CE1-CG 4Å; F9-K19 HydrophobicContact CG-CG 4.25Å; T14-K19 WeakPolarHBondContact OG1-CE 3.28Å; S15-K19 PolarHBondContact O-N 3.31Å; Q16-K19 WeakPolarHBondContact O-CB 3.5Å; Q16-K19 PolarHBondContact O-N 2.76Å; K19-R21 PolarHBondContact O-N 3.45Å; K19-C22 PolarHBondContact O-N 3.39Å; K19-L23 WeakPolarHBondContact O-CB 3.22Å; K19-L23 PolarHBondContact O-N 3.03Å; K19-I52 HydrophobicContact CB-CG2 3.88Å; K19-I52 HydrophobicContact CD-CG2 3.41Å; K19-I52 VanDerWaalsContact CD-CG2 3.41Å; K19-I52 HydrophobicContact CG-CG2 3.87Å
20	A	71.8	Confident	68.1	Low	1 Å²	1	75 Å²	75	1%	0.008	40%	0.396	C	S	.	.	H	α-helix	trans	-60.4	-44.3	175.2	0	0	0	0	0	112	Q16 F18 C22 L23 V24 C54 A58 L59	Q16-A20 PolarHBondContact O-N 3.06Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.46Å; A20-C22 PolarHBondContact O-N 2.99Å; A20-L23 WeakPolarHBondContact O-CB 3.35Å; A20-L23 PolarHBondContact O-N 3.35Å; A20-V24 VanDerWaalsContact O-CG2 3.31Å; A20-V24 WeakPolarHBondContact O-CG2 3.48Å; A20-V24 PolarHBondContact O-N 3.28Å; A20-C54 HydrophobicContact CB-CB 4.34Å; A20-A58 HydrophobicContact CB-CB 3.29Å; A20-L59 HydrophobicContact CB-CG 4.2Å
21	R	73.8	Confident	68.7	Low	203 Å²	203	69.2 Å²	69.2	77%	0.766	36%	0.36	S	S	*	.	H	α-helix	trans	-63.2	-41.9	178.4	-168.8	176	-167.5	164.3	4.7	113.1	A17 F18 K19 L23 V24 G25	A17-R21 PolarHBondContact O-N 2.95Å; F18-R21 PolarHBondContact O-N 3.35Å; F18-R21 VanDerWaalsContact O-N 3.14Å; K19-R21 PolarHBondContact O-N 3.45Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-V24 PolarHBondContact O-N 2.8Å; R21-G25 PolarHBondContact O-N 3.13Å
22	C	73.1	Confident	69.6	Low	45 Å²	45	66.2 Å²	66.2	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-42.6	174.9	-74.1	0	0	0	0	111.4	F9 F18 K19 A20 G25 F26	F9-C22 HydrophobicContact CE1-CB 3.61Å; F9-C22 HydrophobicContact CZ-CB 3.55Å; F18-C22 WeakPolarHBondContact CE1-SG 3.48Å; F18-C22 VanDerWaalsContact CZ-SG 3.53Å; F18-C22 PolarHBondContact O-N 3.38Å; K19-C22 PolarHBondContact O-N 3.39Å; A20-C22 PolarHBondContact O-N 2.99Å; C22-G25 PolarHBondContact O-N 3.33Å; C22-F26 WeakPolarHBondContact O-CB 3Å; C22-F26 PolarHBondContact O-N 3.08Å
23	L	72.7	Confident	70.3	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-48.7	176	172	52.9	0	0	0	111.6	L7 K19 A20 R21 G25 F26 I27 F50 L59	L7-L23 HydrophobicContact CD1-CD1 4.31Å; K19-L23 WeakPolarHBondContact O-CB 3.22Å; K19-L23 PolarHBondContact O-N 3.03Å; A20-L23 WeakPolarHBondContact O-CB 3.35Å; A20-L23 PolarHBondContact O-N 3.35Å; R21-L23 VanDerWaalsContact C-N 3.33Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.26Å; L23-F26 WeakPolarHBondContact O-CB 3.24Å; L23-F26 PolarHBondContact O-N 2.9Å; L23-I27 HydrophobicContact CD1-CD1 3.56Å; L23-I27 HydrophobicContact CD1-CG1 3.88Å; L23-I27 HydrophobicContact CG-CD1 3.8Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.25Å; L23-F50 HydrophobicContact CD1-CD1 4.14Å; L23-F50 HydrophobicContact CD1-CD2 4.07Å; L23-F50 HydrophobicContact CD1-CE1 3.4Å; L23-F50 HydrophobicContact CD1-CE2 3.26Å; L23-F50 HydrophobicContact CD1-CG 4.47Å; L23-F50 HydrophobicContact CD1-CZ 2.93Å; L23-F50 HydrophobicContact CD2-CD1 4.45Å; L23-F50 HydrophobicContact CD2-CD2 3.53Å; L23-F50 HydrophobicContact CD2-CE1 4.44Å; L23-F50 HydrophobicContact CD2-CE2 3.45Å; L23-F50 VanDerWaalsContact CD2-CE2 3.45Å; L23-F50 HydrophobicContact CD2-CG 4.07Å; L23-F50 HydrophobicContact CD2-CZ 4.01Å; L23-F50 HydrophobicContact CG-CD2 4.47Å; L23-F50 HydrophobicContact CG-CE2 3.98Å; L23-F50 HydrophobicContact CG-CZ 4.09Å; L23-L59 HydrophobicContact CB-CD2 4.49Å; L23-L59 HydrophobicContact CD2-CD1 3.77Å; L23-L59 HydrophobicContact CD2-CD2 3.83Å; L23-L59 HydrophobicContact CD2-CG 4.49Å; L23-L59 HydrophobicContact CG-CD2 4Å
24	V	73.7	Confident	70.5	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-46.4	176.1	169.1	0	0	0	0	111.7	A20 R21 F26 I27 N28 L59 T63 L64	A20-V24 VanDerWaalsContact O-CG2 3.31Å; A20-V24 WeakPolarHBondContact O-CG2 3.48Å; A20-V24 PolarHBondContact O-N 3.28Å; R21-V24 PolarHBondContact O-N 2.8Å; V24-F26 VanDerWaalsContact C-N 3.31Å; V24-F26 PolarHBondContact O-N 3.4Å; V24-I27 PolarHBondContact O-N 2.85Å; V24-N28 WeakPolarHBondContact CG1-ND2 3.49Å; V24-N28 WeakPolarHBondContact O-CB 3.35Å; V24-N28 VanDerWaalsContact O-CG 3.31Å; V24-N28 PolarHBondContact O-N 3.32Å; V24-L59 HydrophobicContact CG2-CD2 3.55Å; V24-T63 HydrophobicContact CB-CG2 4.29Å; V24-T63 HydrophobicContact CG1-CG2 3.71Å; V24-T63 WeakPolarHBondContact CG1-O 3.11Å; V24-T63 HydrophobicContact CG2-CG2 3.93Å; V24-L64 HydrophobicContact CB-CD2 4.06Å; V24-L64 HydrophobicContact CG1-CD2 4.03Å; V24-L64 HydrophobicContact CG2-CD2 3.78Å; V24-L64 HydrophobicContact CG2-CG 4.27Å
25	G	74.6	Confident	70.2	Confident	37 Å²	37	63.9 Å²	63.9	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-37.5	178.1	0	0	0	0	0	113.1	R21 C22 L23 R29	R21-G25 PolarHBondContact O-N 3.13Å; C22-G25 PolarHBondContact O-N 3.33Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.26Å; G25-R29 WeakPolarHBondContact O-CB 3.41Å; G25-R29 PolarHBondContact O-N 3.02Å; G25-R29 VanDerWaalsContact O-N 3.13Å
26	F	74.5	Confident	69.4	Low	48 Å²	48	64.3 Å²	64.3	21%	0.211	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-48.8	174.6	175.7	-102.8	0	0	0	111.6	F4 L7 C22 L23 V24 R29 C30	F4-F26 AromaticContact CD1-CE1 3.8Å; F4-F26 HydrophobicContact CD1-CE1 3.8Å; F4-F26 HydrophobicContact CD1-CZ 4.13Å; F4-F26 AromaticContact CE1-CE1 3.58Å; F4-F26 HydrophobicContact CE1-CE1 3.58Å; F4-F26 HydrophobicContact CE1-CZ 4.12Å; L7-F26 HydrophobicContact CD1-CB 3.84Å; L7-F26 HydrophobicContact CD1-CD1 3.26Å; L7-F26 HydrophobicContact CD1-CD2 4Å; L7-F26 HydrophobicContact CD1-CE1 3.64Å; L7-F26 HydrophobicContact CD1-CE2 4.35Å; L7-F26 HydrophobicContact CD1-CG 3.44Å; L7-F26 VanDerWaalsContact CD1-CG 3.44Å; L7-F26 HydrophobicContact CD1-CZ 4.18Å; L7-F26 HydrophobicContact CG-CD1 4.31Å; L7-F26 HydrophobicContact CG-CD2 4.37Å; L7-F26 HydrophobicContact CG-CE1 4.36Å; L7-F26 HydrophobicContact CG-CE2 4.47Å; L7-F26 HydrophobicContact CG-CG 4.29Å; L7-F26 HydrophobicContact CG-CZ 4.46Å; C22-F26 WeakPolarHBondContact O-CB 3Å; C22-F26 PolarHBondContact O-N 3.08Å; L23-F26 WeakPolarHBondContact O-CB 3.24Å; L23-F26 PolarHBondContact O-N 2.9Å; V24-F26 VanDerWaalsContact C-N 3.31Å; V24-F26 PolarHBondContact O-N 3.4Å; F26-R29 PolarHBondContact O-N 3.23Å; F26-C30 PolarHBondContact O-N 3.38Å; F26-C30 PolarHBondContact O-SG 3.19Å; F26-C30 VanDerWaalsContact O-SG 3.34Å
27	I	73	Confident	68.8	Low	7 Å²	7	60.1 Å²	60.1	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-52	178.4	-67.1	164.8	0	0	0	110.6	L23 V24 R29 C30 V31 L48 L64 L81	L23-I27 HydrophobicContact CD1-CD1 3.56Å; L23-I27 HydrophobicContact CD1-CG1 3.88Å; L23-I27 HydrophobicContact CG-CD1 3.8Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.25Å; V24-I27 PolarHBondContact O-N 2.85Å; I27-R29 PolarHBondContact O-N 3.16Å; I27-C30 WeakPolarHBondContact O-CB 3.5Å; I27-C30 PolarHBondContact O-N 3.17Å; I27-C30 VanDerWaalsContact O-N 3.08Å; I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 VanDerWaalsContact O-CG2 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.28Å; I27-V31 PolarHBondContact O-N 2.83Å; I27-L48 HydrophobicContact CD1-CD1 3.53Å; I27-L48 HydrophobicContact CG1-CD1 3.59Å; I27-L64 HydrophobicContact CB-CD2 3.83Å; I27-L64 HydrophobicContact CD1-CD1 4.38Å; I27-L64 HydrophobicContact CD1-CD2 3.54Å; I27-L64 HydrophobicContact CG1-CD2 4.29Å; I27-L64 HydrophobicContact CG2-CD2 3.84Å; I27-L81 HydrophobicContact CD1-CD2 4.1Å; I27-L81 HydrophobicContact CG1-CD2 4.4Å; I27-L81 HydrophobicContact CG2-CD2 3.4Å
28	N	73.2	Confident	68.3	Low	22 Å²	22	60.5 Å²	60.5	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-43.1	-180	-72.6	-16.1	0	0	0	110.9	V24 V31 E32 T63 R65	V24-N28 WeakPolarHBondContact CG1-ND2 3.49Å; V24-N28 WeakPolarHBondContact O-CB 3.35Å; V24-N28 VanDerWaalsContact O-CG 3.31Å; V24-N28 PolarHBondContact O-N 3.32Å; N28-V31 PolarHBondContact O-N 2.9Å; N28-E32 WeakPolarHBondContact O-CB 3.48Å; N28-E32 VanDerWaalsContact O-CG 3.28Å; N28-E32 WeakPolarHBondContact O-CG 3.46Å; N28-E32 PolarHBondContact O-N 3.04Å; N28-T63 PolarHBondContact ND2-O 2.97Å; N28-R65 PolarHBondContact OD1-N 3.01Å
29	R	72.4	Confident	67.5	Low	190 Å²	190	64.1 Å²	64.1	72%	0.717	30%	0.296	S	S	*	.	H	α-helix	trans	-65.2	-42.5	176.8	-173.6	-178	-59.8	-151.9	-1.1	112.8	G25 F26 I27 V31 E32 D33	G25-R29 WeakPolarHBondContact O-CB 3.41Å; G25-R29 PolarHBondContact O-N 3.02Å; G25-R29 VanDerWaalsContact O-N 3.13Å; F26-R29 PolarHBondContact O-N 3.23Å; I27-R29 PolarHBondContact O-N 3.16Å; R29-V31 PolarHBondContact O-N 3.27Å; R29-E32 PolarHBondContact O-N 3.15Å; R29-D33 WeakPolarHBondContact O-CB 3.38Å; R29-D33 PolarHBondContact O-N 3.25Å
30	C	69.1	Low	67	Low	12 Å²	12	66.1 Å²	66.1	8%	0.081	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-34.2	177	-74.1	0	0	0	0	112	F26 I27 W36	F26-C30 PolarHBondContact O-N 3.38Å; F26-C30 PolarHBondContact O-SG 3.19Å; F26-C30 VanDerWaalsContact O-SG 3.34Å; I27-C30 WeakPolarHBondContact O-CB 3.5Å; I27-C30 PolarHBondContact O-N 3.17Å; I27-C30 VanDerWaalsContact O-N 3.08Å; C30-W36 HydrophobicContact CB-CD2 4.39Å; C30-W36 WeakPolarHBondContact O-CB 3.42Å; C30-W36 VanDerWaalsContact O-CG 3.24Å
31	V	67.9	Low	66.4	Low	5 Å²	5	70.9 Å²	70.9	3%	0.03	35%	0.35	C	S	.	.	H	α-helix	trans	-79.9	-40.8	179.5	-179.2	0	0	0	0	111.9	I27 N28 R29 D33 I37 F46 F66 I83	I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 VanDerWaalsContact O-CG2 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.28Å; I27-V31 PolarHBondContact O-N 2.83Å; N28-V31 PolarHBondContact O-N 2.9Å; R29-V31 PolarHBondContact O-N 3.27Å; V31-D33 VanDerWaalsContact C-N 3.34Å; V31-I37 HydrophobicContact CG1-CD1 4.17Å; V31-F46 HydrophobicContact CG2-CZ 4.47Å; V31-F66 HydrophobicContact CB-CD2 4.1Å; V31-F66 HydrophobicContact CG1-CB 3.94Å; V31-F66 HydrophobicContact CG1-CD2 3.37Å; V31-F66 HydrophobicContact CG1-CE2 4.13Å; V31-F66 HydrophobicContact CG1-CG 3.85Å; V31-I83 HydrophobicContact CB-CD1 4.44Å; V31-I83 HydrophobicContact CG1-CD1 4.36Å; V31-I83 HydrophobicContact CG1-CG2 4.38Å; V31-I83 HydrophobicContact CG2-CD1 3.24Å
32	E	69.1	Low	65.9	Low	98 Å²	98	66.2 Å²	66.2	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-34.8	175.5	-75.3	176	179	0	0	112.1	N28 R29 E34 R65 F66	N28-E32 WeakPolarHBondContact O-CB 3.48Å; N28-E32 VanDerWaalsContact O-CG 3.28Å; N28-E32 WeakPolarHBondContact O-CG 3.46Å; N28-E32 PolarHBondContact O-N 3.04Å; R29-E32 PolarHBondContact O-N 3.15Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 3.27Å; E32-R65 IonicContact OE1-NH1 3.76Å; E32-R65 PolarHBondContact OE1-NH1 3.28Å; E32-F66 HydrophobicContact CG-CE2 4.01Å
33	D	68.6	Low	65.4	Low	67 Å²	67	68 Å²	68	36%	0.358	34%	0.344	S	S	.	.	S	Bend	trans	-69.6	92.6	167.5	-165.7	-5.2	0	0	0	107.9	R29 V31 K35 W36	R29-D33 WeakPolarHBondContact O-CB 3.38Å; R29-D33 PolarHBondContact O-N 3.25Å; V31-D33 VanDerWaalsContact C-N 3.34Å; D33-K35 PolarHBondContact O-N 3.41Å; D33-K35 VanDerWaalsContact OD1-CD 3.23Å; D33-K35 WeakPolarHBondContact OD1-CD 3.46Å; D33-K35 WeakPolarHBondContact OD1-CE 3.48Å; D33-K35 WeakPolarHBondContact OD1-CG 2.71Å; D33-K35 IonicContact OD1-NZ 3.53Å; D33-W36 VanDerWaalsContact O-CD1 3.23Å; D33-W36 PolarHBondContact O-N 3.18Å
34	E	56.3	Low	64.9	Low	63 Å²	63	69.9 Å²	69.9	29%	0.294	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-55.4	-9.9	-174.3	-49.2	-162.2	139.1	0	0	114.1	E32 W36 I37 Y39 R85 L90	E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 3.27Å; E34-W36 PolarHBondContact O-N 2.76Å; E34-I37 PolarHBondContact O-N 3.34Å; E34-I37 VanDerWaalsContact O-O 3.08Å; E34-Y39 PolarHBondContact OE2-OH 3.4Å; E34-R85 IonicContact OE1-CZ 3.91Å; E34-R85 IonicContact OE1-NH1 2.76Å; E34-R85 IonicContact OE1-NH2 3.31Å; E34-R85 PolarHBondContact OE1-NH2 2.95Å; E34-L90 WeakPolarHBondContact OE1-CD2 3.49Å
35	K	58.3	Low	64.5	Low	152 Å²	152	74.2 Å²	74.2	66%	0.661	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-61.4	-9.5	173.7	-63.9	176.9	-167	160.9	0	114.6	K2 D33	K2-K35 PolarHBondContact NZ-O 3.25Å; D33-K35 PolarHBondContact O-N 3.41Å; D33-K35 VanDerWaalsContact OD1-CD 3.23Å; D33-K35 WeakPolarHBondContact OD1-CD 3.46Å; D33-K35 WeakPolarHBondContact OD1-CE 3.48Å; D33-K35 WeakPolarHBondContact OD1-CG 2.71Å; D33-K35 IonicContact OD1-NZ 3.53Å
36	W	54.8	Low	63.9	Low	82 Å²	82	73.9 Å²	73.9	31%	0.311	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-98.5	-31.3	-176.9	-68.5	71.4	0	0	0	113.7	F4 C30 D33 E34 P38	F4-W36 HydrophobicContact CE1-CZ3 4.19Å; F4-W36 HydrophobicContact CE2-CZ3 4.41Å; F4-W36 AromaticContact CZ-CZ3 3.99Å; F4-W36 HydrophobicContact CZ-CZ3 3.99Å; C30-W36 HydrophobicContact CB-CD2 4.39Å; C30-W36 WeakPolarHBondContact O-CB 3.42Å; C30-W36 VanDerWaalsContact O-CG 3.24Å; D33-W36 VanDerWaalsContact O-CD1 3.23Å; D33-W36 PolarHBondContact O-N 3.18Å; E34-W36 PolarHBondContact O-N 2.76Å; W36-P38 WeakPolarHBondContact O-CD 3.34Å
37	I	56.2	Low	63.2	Low	14 Å²	14	75.3 Å²	75.3	7%	0.072	38%	0.376	C	S	.	.	S	Bend	trans	-104.4	107.9	174.2	-58.9	168	0	0	0	107.1	V31 E34 Y39 M41 L44 I83 R85	V31-I37 HydrophobicContact CG1-CD1 4.17Å; E34-I37 PolarHBondContact O-N 3.34Å; E34-I37 VanDerWaalsContact O-O 3.08Å; I37-Y39 PolarHBondContact O-N 2.97Å; I37-M41 HydrophobicContact CG2-CB 4.16Å; I37-L44 HydrophobicContact CG1-CB 4.29Å; I37-L44 HydrophobicContact CG1-CD2 3.67Å; I37-I83 HydrophobicContact CD1-CG2 4.33Å; I37-R85 HydrophobicContact CD1-CB 4.07Å
38	P	57.9	Low	62.8	Low	70 Å²	70	75.1 Å²	75.1	46%	0.455	38%	0.376	S	S	.	.			trans	-53.7	135.1	175.2	-23	32.2	0	0	0	110.8	W36 G40 M41	W36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-G40 PolarHBondContact O-N 3.44Å; P38-M41 HydrophobicContact CB-CE 4.48Å; P38-M41 HydrophobicContact CB-CG 4Å; P38-M41 HydrophobicContact CG-CE 4.08Å; P38-M41 HydrophobicContact CG-CG 4.21Å; P38-M41 WeakPolarHBondContact O-CB 3.04Å; P38-M41 PolarHBondContact O-N 3.32Å
39	Y	56.2	Low	62.1	Low	181 Å²	181	82.5 Å²	82.5	71%	0.71	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133	171.7	-74.4	-72.1	0	0	0	110.4	E34 I37	E34-Y39 PolarHBondContact OE2-OH 3.4Å; I37-Y39 PolarHBondContact O-N 2.97Å
40	G	59.5	Low	61.5	Low	79 Å²	79	73.9 Å²	73.9	81%	0.814	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	2.9	-178.9	0	0	0	0	0	115.5	P38	P38-G40 PolarHBondContact O-N 3.44Å
41	M	59.5	Low	61.1	Low	101 Å²	101	83 Å²	83	50%	0.498	41%	0.408	S	S	.	.			trans	-87.9	120.7	166.2	-67.2	-95	-162	0	0	109.6	I37 P38 E43	I37-M41 HydrophobicContact CG2-CB 4.16Å; P38-M41 HydrophobicContact CB-CE 4.48Å; P38-M41 HydrophobicContact CB-CG 4Å; P38-M41 HydrophobicContact CG-CE 4.08Å; P38-M41 HydrophobicContact CG-CG 4.21Å; P38-M41 WeakPolarHBondContact O-CB 3.04Å; P38-M41 PolarHBondContact O-N 3.32Å; M41-E43 VanDerWaalsContact C-N 3.33Å
42	D	63	Low	60.7	Low	105 Å²	105	83.5 Å²	83.5	56%	0.561	41%	0.41	S	S	*	.	S	Bend	trans	-77.4	-21.8	174.1	-65.2	-40.6	0	0	0	112.2	T84 R85	D42-T84 WeakPolarHBondContact O-CG2 3.36Å; D42-R85 CarbonylContact C-O 3.56Å; D42-R85 CarbonylContact O-C 3.53Å; D42-R85 PolarHBondContact O-N 3.04Å
43	E	63	Low	60.3	Low	81 Å²	81	81.1 Å²	81.1	38%	0.379	41%	0.407	S	S	.	.			trans	-143.9	135	-174.9	-171.4	162.9	-112.8	0	0	112.1	M41 I45 K82 T84	M41-E43 VanDerWaalsContact C-N 3.33Å; E43-I45 HydrophobicContact CG-CG1 4.31Å; E43-K82 WeakPolarHBondContact OE1-CE 3.47Å; E43-K82 IonicContact OE1-NZ 2.73Å; E43-K82 PolarHBondContact OE1-NZ 2.9Å; E43-K82 IonicContact OE2-NZ 3.67Å; E43-T84 HydrophobicContact CB-CG2 3.95Å; E43-T84 HydrophobicContact CG-CG2 4.01Å; E43-T84 PolarHBondContact OE1-OG1 2.82Å
44	L	62.8	Low	59.9	Low	44 Å²	44	78.3 Å²	78.3	23%	0.23	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	109.8	170.6	-173.2	73.1	0	0	0	110.3	I37 F46 I83	I37-L44 HydrophobicContact CG1-CB 4.29Å; I37-L44 HydrophobicContact CG1-CD2 3.67Å; L44-F46 HydrophobicContact CD2-CD1 3.78Å; L44-F46 HydrophobicContact CD2-CE1 4.13Å; L44-F46 HydrophobicContact CG-CD1 4Å; L44-I83 CarbonylContact C-O 3.57Å; L44-I83 WeakPolarHBondContact CA-O 3.43Å; L44-I83 PolarHBondContact N-O 2.94Å; L44-I83 CarbonylContact O-C 3.54Å; L44-I83 PolarHBondContact O-N 3.11Å
45	I	64.3	Low	60.2	Low	101 Å²	101	79.4 Å²	79.4	52%	0.518	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.3	168.6	-53.3	178.4	0	0	0	107.9	E43 K82	E43-I45 HydrophobicContact CG-CG1 4.31Å; I45-K82 HydrophobicContact CD1-CD 4.35Å; I45-K82 HydrophobicContact CG1-CD 4.24Å; I45-K82 HydrophobicContact CG1-CG 4.11Å
46	F	63.2	Low	60.4	Low	29 Å²	29	78.4 Å²	78.4	13%	0.127	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.3	170.2	61.6	-84.8	0	0	0	112.1	F4 V31 L44 L48 L81 I83	F4-F46 AromaticContact CE2-CD2 3.66Å; F4-F46 HydrophobicContact CE2-CD2 3.66Å; F4-F46 HydrophobicContact CE2-CE2 4.22Å; F4-F46 HydrophobicContact CE2-CG 4.43Å; F4-F46 AromaticContact CZ-CD2 3.76Å; F4-F46 HydrophobicContact CZ-CD2 3.76Å; F4-F46 AromaticContact CZ-CE2 3.83Å; F4-F46 HydrophobicContact CZ-CE2 3.83Å; V31-F46 HydrophobicContact CG2-CZ 4.47Å; L44-F46 HydrophobicContact CD2-CD1 3.78Å; L44-F46 HydrophobicContact CD2-CE1 4.13Å; L44-F46 HydrophobicContact CG-CD1 4Å; F46-L48 HydrophobicContact CD2-CD1 4.28Å; F46-L48 HydrophobicContact CD2-CD2 3.88Å; F46-L48 HydrophobicContact CD2-CG 3.73Å; F46-L48 HydrophobicContact CE2-CD1 3.74Å; F46-L48 HydrophobicContact CE2-CD2 3.91Å; F46-L48 HydrophobicContact CE2-CG 3.71Å; F46-L81 CarbonylContact C-O 3.54Å; F46-L81 HydrophobicContact CD2-CB 4.5Å; F46-L81 HydrophobicContact CE1-CD2 4.39Å; F46-L81 HydrophobicContact CE2-CB 4.18Å; F46-L81 HydrophobicContact CE2-CD2 3.87Å; F46-L81 HydrophobicContact CE2-CG 4.44Å; F46-L81 HydrophobicContact CZ-CB 4.35Å; F46-L81 HydrophobicContact CZ-CD2 3.58Å; F46-L81 HydrophobicContact CZ-CG 4.16Å; F46-L81 PolarHBondContact N-O 3.44Å; F46-L81 VanDerWaalsContact N-O 3.11Å; F46-L81 CarbonylContact O-C 3.49Å; F46-L81 PolarHBondContact O-N 3.28Å; F46-I83 HydrophobicContact CD1-CG1 4.48Å; F46-I83 HydrophobicContact CE1-CB 4.04Å; F46-I83 HydrophobicContact CE1-CD1 3.39Å; F46-I83 HydrophobicContact CE1-CG1 3.51Å; F46-I83 HydrophobicContact CZ-CD1 3.47Å; F46-I83 VanDerWaalsContact CZ-CD1 3.47Å; F46-I83 HydrophobicContact CZ-CG1 3.97Å
47	T	59.9	Low	60.8	Low	78 Å²	78	77.6 Å²	77.6	48%	0.479	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.3	176.4	-57.4	0	0	0	0	109.5	V80	T47-V80 HydrophobicContact CG2-CG2 3.97Å
48	L	63.1	Low	61.1	Low	3 Å²	3	78.4 Å²	78.4	2%	0.016	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.5	173	-66.2	174.3	0	0	0	110.3	F4 I27 F46 F50 F79 L81	F4-L48 HydrophobicContact CD1-CD2 3.45Å; F4-L48 VanDerWaalsContact CD1-CD2 3.45Å; F4-L48 HydrophobicContact CD2-CD2 3.64Å; F4-L48 HydrophobicContact CE1-CD2 3.12Å; F4-L48 HydrophobicContact CE2-CD2 3.31Å; F4-L48 HydrophobicContact CE2-CG 4.44Å; F4-L48 HydrophobicContact CG-CD2 3.72Å; F4-L48 HydrophobicContact CZ-CD2 3.07Å; F4-L48 HydrophobicContact CZ-CG 4.28Å; I27-L48 HydrophobicContact CD1-CD1 3.53Å; I27-L48 HydrophobicContact CG1-CD1 3.59Å; F46-L48 HydrophobicContact CD2-CD1 4.28Å; F46-L48 HydrophobicContact CD2-CD2 3.88Å; F46-L48 HydrophobicContact CD2-CG 3.73Å; F46-L48 HydrophobicContact CE2-CD1 3.74Å; F46-L48 HydrophobicContact CE2-CD2 3.91Å; F46-L48 HydrophobicContact CE2-CG 3.71Å; L48-F50 HydrophobicContact CB-CD2 4.17Å; L48-F50 HydrophobicContact CB-CE2 3.28Å; L48-F50 HydrophobicContact CB-CZ 3.59Å; L48-F50 HydrophobicContact CD1-CE2 3.8Å; L48-F50 HydrophobicContact CD1-CZ 3.83Å; L48-F50 HydrophobicContact CD2-CZ 4.08Å; L48-F50 HydrophobicContact CG-CE2 4.09Å; L48-F50 HydrophobicContact CG-CZ 4.07Å; L48-F79 CarbonylContact C-O 3.35Å; L48-F79 WeakPolarHBondContact CA-O 3.35Å; L48-F79 HydrophobicContact CB-CB 4.44Å; L48-F79 PolarHBondContact N-O 3.03Å; L48-F79 CarbonylContact O-C 3.43Å; L48-F79 WeakPolarHBondContact O-CA 3.43Å; L48-F79 WeakPolarHBondContact O-CB 3.39Å; L48-F79 PolarHBondContact O-N 2.87Å; L48-L81 HydrophobicContact CD1-CB 4.33Å; L48-L81 HydrophobicContact CD1-CD2 4.21Å
49	R	58.4	Low	61.3	Low	178 Å²	178	75.5 Å²	75.5	67%	0.672	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.6	172.7	176.3	165.3	-64.3	162.1	1.2	110	D78	R49-D78 WeakPolarHBondContact CB-OD1 3.5Å; R49-D78 WeakPolarHBondContact CD-OD1 3.09Å; R49-D78 WeakPolarHBondContact CG-OD1 3.42Å; R49-D78 IonicContact CZ-OD1 3.45Å; R49-D78 IonicContact CZ-OD2 3.57Å; R49-D78 IonicContact NE-OD1 3.28Å; R49-D78 PolarHBondContact NE-OD1 3.09Å; R49-D78 IonicContact NE-OD2 2.89Å; R49-D78 PolarHBondContact NE-OD2 2.69Å; R49-D78 IonicContact NH2-OD1 2.77Å; R49-D78 IonicContact NH2-OD2 3.7Å; R49-D78 PolarHBondContact NH2-OD2 3.06Å
50	F	61	Low	61.6	Low	9 Å²	9	69.9 Å²	69.9	4%	0.039	38%	0.379	C	S	.	.			trans	-114.1	131.4	171.6	-63	-69.7	0	0	0	109.9	L7 L23 L48 I52 F79	L7-F50 HydrophobicContact CB-CD1 4.46Å; L7-F50 HydrophobicContact CB-CE1 4.22Å; L7-F50 HydrophobicContact CD1-CE1 3.82Å; L23-F50 HydrophobicContact CD1-CD1 4.14Å; L23-F50 HydrophobicContact CD1-CD2 4.07Å; L23-F50 HydrophobicContact CD1-CE1 3.4Å; L23-F50 HydrophobicContact CD1-CE2 3.26Å; L23-F50 HydrophobicContact CD1-CG 4.47Å; L23-F50 HydrophobicContact CD1-CZ 2.93Å; L23-F50 HydrophobicContact CD2-CD1 4.45Å; L23-F50 HydrophobicContact CD2-CD2 3.53Å; L23-F50 HydrophobicContact CD2-CE1 4.44Å; L23-F50 HydrophobicContact CD2-CE2 3.45Å; L23-F50 VanDerWaalsContact CD2-CE2 3.45Å; L23-F50 HydrophobicContact CD2-CG 4.07Å; L23-F50 HydrophobicContact CD2-CZ 4.01Å; L23-F50 HydrophobicContact CG-CD2 4.47Å; L23-F50 HydrophobicContact CG-CE2 3.98Å; L23-F50 HydrophobicContact CG-CZ 4.09Å; L48-F50 HydrophobicContact CB-CD2 4.17Å; L48-F50 HydrophobicContact CB-CE2 3.28Å; L48-F50 HydrophobicContact CB-CZ 3.59Å; L48-F50 HydrophobicContact CD1-CE2 3.8Å; L48-F50 HydrophobicContact CD1-CZ 3.83Å; L48-F50 HydrophobicContact CD2-CZ 4.08Å; L48-F50 HydrophobicContact CG-CE2 4.09Å; L48-F50 HydrophobicContact CG-CZ 4.07Å; F50-I52 HydrophobicContact CB-CB 4.38Å; F50-I52 HydrophobicContact CB-CD1 4.19Å; F50-I52 HydrophobicContact CB-CG1 4.49Å; F50-I52 HydrophobicContact CD1-CD1 4.24Å; F50-I52 PolarHBondContact O-N 3.11Å; F50-F79 HydrophobicContact CD2-CB 4.15Å; F50-F79 AromaticContact CD2-CD2 3.67Å; F50-F79 HydrophobicContact CD2-CD2 3.67Å; F50-F79 HydrophobicContact CD2-CE2 4.47Å; F50-F79 HydrophobicContact CD2-CG 4.21Å; F50-F79 HydrophobicContact CE2-CB 4.27Å; F50-F79 HydrophobicContact CE2-CD2 4.48Å
51	K	60.1	Low	61.4	Low	202 Å²	202	68.8 Å²	68.8	88%	0.878	36%	0.358	S	S	*	.	S	Bend	trans	-77.5	23.9	169.2	-67.9	-171.5	176.1	-176.2	0	112.7
52	I	58.6	Low	61.6	Low	16 Å²	16	71.4 Å²	71.4	8%	0.082	37%	0.374	C	S	.	.			trans	-119.8	114.8	-167.6	-52.6	151.2	0	0	0	108.7	F9 K19 F50 C54	F9-I52 HydrophobicContact CD2-CD1 3.06Å; F9-I52 HydrophobicContact CD2-CG1 3.89Å; F9-I52 HydrophobicContact CE2-CD1 3.15Å; F9-I52 HydrophobicContact CE2-CG1 4.38Å; F9-I52 HydrophobicContact CG-CD1 4.11Å; F9-I52 HydrophobicContact CZ-CD1 4.25Å; K19-I52 HydrophobicContact CB-CG2 3.88Å; K19-I52 HydrophobicContact CD-CG2 3.41Å; K19-I52 VanDerWaalsContact CD-CG2 3.41Å; K19-I52 HydrophobicContact CG-CG2 3.87Å; F50-I52 HydrophobicContact CB-CB 4.38Å; F50-I52 HydrophobicContact CB-CD1 4.19Å; F50-I52 HydrophobicContact CB-CG1 4.49Å; F50-I52 HydrophobicContact CD1-CD1 4.24Å; F50-I52 PolarHBondContact O-N 3.11Å; I52-C54 PolarHBondContact O-N 3.33Å; I52-C54 VanDerWaalsContact O-N 3.09Å
53	A	61.9	Low	61.7	Low	48 Å²	48	69.1 Å²	69.1	40%	0.397	36%	0.364	S	S	.	.			trans	-60.9	113.7	161.6	0	0	0	0	0	108.8
54	C	60.5	Low	61.8	Low	9 Å²	9	65.4 Å²	65.4	6%	0.061	35%	0.347	C	S	.	.			trans	-130.6	154.7	170.2	53.3	0	0	0	0	109.6	A20 I52 K56 L59 F79	A20-C54 HydrophobicContact CB-CB 4.34Å; I52-C54 PolarHBondContact O-N 3.33Å; I52-C54 VanDerWaalsContact O-N 3.09Å; C54-K56 PolarHBondContact O-N 2.9Å; C54-L59 HydrophobicContact CB-CD1 4.46Å; C54-L59 WeakPolarHBondContact SG-CD1 3.43Å; C54-F79 WeakPolarHBondContact SG-CE2 3.28Å; C54-F79 WeakPolarHBondContact SG-CZ 3.36Å
55	D	61.4	Low	61.8	Low	86 Å²	86	70.5 Å²	70.5	46%	0.46	36%	0.363	S	S	.	.			trans	-68.8	126.8	178.9	-172	-14.3	0	0	0	109.6	A57 A58	D55-A57 PolarHBondContact O-N 2.88Å; D55-A57 WeakPolarHBondContact OD1-CB 3.31Å; D55-A57 PolarHBondContact OD1-N 3.37Å; D55-A58 PolarHBondContact O-N 3.18Å
56	K	62.5	Low	61.7	Low	130 Å²	130	68.4 Å²	68.4	57%	0.565	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-54	-36.1	174.7	-176.4	-179.4	178.8	178.4	0	111.1	C54 A58 L59 Y72	C54-K56 PolarHBondContact O-N 2.9Å; K56-A58 PolarHBondContact O-N 3.46Å; K56-L59 CarbonylContact O-C 3.35Å; K56-L59 PolarHBondContact O-N 3.43Å; K56-Y72 HydrophobicContact CB-CD1 4.22Å; K56-Y72 HydrophobicContact CG-CD1 4.41Å
57	A	64.4	Low	61.8	Low	66 Å²	66	67.5 Å²	67.5	55%	0.545	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-62.1	-27.5	-178.9	0	0	0	0	0	113	D55 L59 N60	D55-A57 PolarHBondContact O-N 2.88Å; D55-A57 WeakPolarHBondContact OD1-CB 3.31Å; D55-A57 PolarHBondContact OD1-N 3.37Å; A57-L59 VanDerWaalsContact C-N 3.32Å; A57-N60 PolarHBondContact O-ND2 3.02Å
58	A	62.5	Low	61.9	Low	30 Å²	30	68.4 Å²	68.4	25%	0.248	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-83	-9.5	179.1	0	0	0	0	0	113.5	A20 D55 K56	A20-A58 HydrophobicContact CB-CB 3.29Å; D55-A58 PolarHBondContact O-N 3.18Å; K56-A58 PolarHBondContact O-N 3.46Å
59	L	61.4	Low	62	Low	9 Å²	9	72.5 Å²	72.5	5%	0.047	37%	0.372	C	S	.	.	S	Bend	trans	-119.8	72.5	178.6	-71.1	161.4	0	0	0	109.1	A20 L23 V24 C54 K56 A57 F79	A20-L59 HydrophobicContact CB-CG 4.2Å; L23-L59 HydrophobicContact CB-CD2 4.49Å; L23-L59 HydrophobicContact CD2-CD1 3.77Å; L23-L59 HydrophobicContact CD2-CD2 3.83Å; L23-L59 HydrophobicContact CD2-CG 4.49Å; L23-L59 HydrophobicContact CG-CD2 4Å; V24-L59 HydrophobicContact CG2-CD2 3.55Å; C54-L59 HydrophobicContact CB-CD1 4.46Å; C54-L59 WeakPolarHBondContact SG-CD1 3.43Å; K56-L59 CarbonylContact O-C 3.35Å; K56-L59 PolarHBondContact O-N 3.43Å; A57-L59 VanDerWaalsContact C-N 3.32Å; L59-F79 HydrophobicContact CB-CE1 4Å; L59-F79 HydrophobicContact CD1-CD1 3.99Å; L59-F79 HydrophobicContact CD1-CE1 3.22Å; L59-F79 HydrophobicContact CD1-CE2 3.94Å; L59-F79 HydrophobicContact CD1-CZ 3.18Å; L59-F79 HydrophobicContact CG-CE1 4.2Å; L59-F79 HydrophobicContact CG-CZ 4.49Å
60	N	63.4	Low	62.3	Low	63 Å²	63	65.3 Å²	65.3	34%	0.337	35%	0.347	S	S	.	.			trans	-110.5	164.8	173.1	65.5	36.8	0	0	0	110.7	A57 D62 T63 L64	A57-N60 PolarHBondContact O-ND2 3.02Å; N60-D62 PolarHBondContact O-N 3.23Å; N60-D62 WeakPolarHBondContact OD1-CB 3.39Å; N60-D62 PolarHBondContact OD1-N 2.99Å; N60-D62 VanDerWaalsContact OD1-N 3.15Å; N60-T63 PolarHBondContact O-N 3.46Å; N60-T63 PolarHBondContact OD1-N 3.41Å; N60-T63 PolarHBondContact OD1-OG1 3.49Å; N60-L64 PolarHBondContact O-N 3.14Å; N60-L64 VanDerWaalsContact O-N 3.17Å
61	C	55	Low	62.7	Low	56 Å²	56	69.5 Å²	69.5	38%	0.378	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.5	179.7	-55.8	0	0	0	0	112.9	T63 L64	C61-T63 PolarHBondContact O-N 2.92Å; C61-L64 CarbonylContact O-C 3.6Å; C61-L64 PolarHBondContact O-N 3.42Å
62	D	63.7	Low	62.9	Low	157 Å²	157	60.8 Å²	60.8	84%	0.84	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.7	175.9	-57.7	-30.8	0	0	0	112	N60	N60-D62 PolarHBondContact O-N 3.23Å; N60-D62 WeakPolarHBondContact OD1-CB 3.39Å; N60-D62 PolarHBondContact OD1-N 2.99Å; N60-D62 VanDerWaalsContact OD1-N 3.15Å
63	T	63.9	Low	63.4	Low	56 Å²	56	62.6 Å²	62.6	34%	0.344	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-34.9	179.8	-27.3	0	0	0	0	111.8	V24 N28 N60 C61	V24-T63 HydrophobicContact CB-CG2 4.29Å; V24-T63 HydrophobicContact CG1-CG2 3.71Å; V24-T63 WeakPolarHBondContact CG1-O 3.11Å; V24-T63 HydrophobicContact CG2-CG2 3.93Å; N28-T63 PolarHBondContact ND2-O 2.97Å; N60-T63 PolarHBondContact O-N 3.46Å; N60-T63 PolarHBondContact OD1-N 3.41Å; N60-T63 PolarHBondContact OD1-OG1 3.49Å; C61-T63 PolarHBondContact O-N 2.92Å
64	L	65.7	Low	63.4	Low	4 Å²	4	65.9 Å²	65.9	2%	0.021	35%	0.352	C	S	.	.	S	Bend	trans	-91.3	101.1	178.8	-66.4	174.8	0	0	0	110.6	V24 I27 N60 C61 F66 A67 V70 L81	V24-L64 HydrophobicContact CB-CD2 4.06Å; V24-L64 HydrophobicContact CG1-CD2 4.03Å; V24-L64 HydrophobicContact CG2-CD2 3.78Å; V24-L64 HydrophobicContact CG2-CG 4.27Å; I27-L64 HydrophobicContact CB-CD2 3.83Å; I27-L64 HydrophobicContact CD1-CD1 4.38Å; I27-L64 HydrophobicContact CD1-CD2 3.54Å; I27-L64 HydrophobicContact CG1-CD2 4.29Å; I27-L64 HydrophobicContact CG2-CD2 3.84Å; N60-L64 PolarHBondContact O-N 3.14Å; N60-L64 VanDerWaalsContact O-N 3.17Å; C61-L64 CarbonylContact O-C 3.6Å; C61-L64 PolarHBondContact O-N 3.42Å; L64-F66 PolarHBondContact O-N 2.94Å; L64-A67 HydrophobicContact CB-CB 3.6Å; L64-A67 HydrophobicContact CD1-CB 4.45Å; L64-A67 WeakPolarHBondContact O-CB 3.32Å; L64-A67 PolarHBondContact O-N 2.98Å; L64-V70 HydrophobicContact CD1-CG1 4.24Å; L64-V70 HydrophobicContact CD1-CG2 3.72Å; L64-L81 HydrophobicContact CD1-CD1 3.78Å; L64-L81 HydrophobicContact CD1-CD2 4.43Å
65	R	62.4	Low	63.7	Low	151 Å²	151	73.8 Å²	73.8	57%	0.57	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	139.1	175.4	-66	-179	176	179.9	-5.5	109.2	N28 E32 A67	N28-R65 PolarHBondContact OD1-N 3.01Å; E32-R65 IonicContact OE1-NH1 3.76Å; E32-R65 PolarHBondContact OE1-NH1 3.28Å; R65-A67 PolarHBondContact O-N 2.78Å; R65-A67 VanDerWaalsContact O-N 3.16Å
66	F	61.9	Low	64	Low	57 Å²	57	74.4 Å²	74.4	25%	0.25	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	-4.4	179.8	-40.1	-74.7	0	0	0	115.9	V31 E32 L64 N68 I83	V31-F66 HydrophobicContact CB-CD2 4.1Å; V31-F66 HydrophobicContact CG1-CB 3.94Å; V31-F66 HydrophobicContact CG1-CD2 3.37Å; V31-F66 HydrophobicContact CG1-CE2 4.13Å; V31-F66 HydrophobicContact CG1-CG 3.85Å; E32-F66 HydrophobicContact CG-CE2 4.01Å; L64-F66 PolarHBondContact O-N 2.94Å; F66-N68 PolarHBondContact O-N 3.07Å; F66-I83 HydrophobicContact CB-CG2 4Å; F66-I83 WeakPolarHBondContact O-CG2 3.34Å
67	A	65.1	Low	64.1	Low	9 Å²	9	72 Å²	72	7%	0.074	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.7	174.4	0	0	0	0	0	110	L64 R65 V70 L81	L64-A67 HydrophobicContact CB-CB 3.6Å; L64-A67 HydrophobicContact CD1-CB 4.45Å; L64-A67 WeakPolarHBondContact O-CB 3.32Å; L64-A67 PolarHBondContact O-N 2.98Å; R65-A67 PolarHBondContact O-N 2.78Å; R65-A67 VanDerWaalsContact O-N 3.16Å; A67-V70 HydrophobicContact CB-CG2 4.05Å; A67-L81 HydrophobicContact CB-CD1 3.65Å
68	N	63.5	Low	64.1	Low	98 Å²	98	69.6 Å²	69.6	52%	0.524	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-29.2	173	-59.6	-60.1	0	0	0	111.5	F66 K82 T84	F66-N68 PolarHBondContact O-N 3.07Å; N68-K82 PolarHBondContact N-O 3.31Å; N68-T84 WeakPolarHBondContact ND2-CA 3.37Å; N68-T84 WeakPolarHBondContact ND2-CB 3.5Å; N68-T84 PolarHBondContact ND2-N 3.38Å; N68-T84 PolarHBondContact ND2-O 3.41Å; N68-T84 PolarHBondContact ND2-OG1 3.22Å
69	D	65.6	Low	64.1	Low	88 Å²	88	68.4 Å²	68.4	47%	0.471	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136	179.2	-174.1	18.3	0	0	0	110.8	K82	D69-K82 HydrophobicContact CB-CB 4.11Å; D69-K82 PolarHBondContact N-O 2.82Å; D69-K82 PolarHBondContact O-N 3.06Å
70	V	64.7	Low	64.3	Low	27 Å²	27	70.3 Å²	70.3	16%	0.164	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	107.6	-178.7	-173.5	0	0	0	0	106.4	L64 A67 L81	L64-V70 HydrophobicContact CD1-CG1 4.24Å; L64-V70 HydrophobicContact CD1-CG2 3.72Å; A67-V70 HydrophobicContact CB-CG2 4.05Å; V70-L81 HydrophobicContact CB-CD1 4.29Å; V70-L81 HydrophobicContact CG1-CD1 4.3Å; V70-L81 HydrophobicContact CG2-CD1 3.61Å
71	N	68.8	Low	64.3	Low	98 Å²	98	67.4 Å²	67.4	52%	0.524	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.8	172.2	-165.1	-3.7	0	0	0	109.5	V80	N71-V80 HydrophobicContact CB-CB 4.31Å; N71-V80 PolarHBondContact N-O 2.77Å; N71-V80 PolarHBondContact O-N 2.73Å; N71-V80 VanDerWaalsContact O-O 3.13Å
72	Y	63.2	Low	64.9	Low	18 Å²	18	67.6 Å²	67.6	7%	0.071	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.2	176	179.2	-135.1	0	0	0	109.7	K56 L74 H77 D78 F79	K56-Y72 HydrophobicContact CB-CD1 4.22Å; K56-Y72 HydrophobicContact CG-CD1 4.41Å; Y72-L74 HydrophobicContact CD1-CD2 3.81Å; Y72-L74 HydrophobicContact CD1-CG 3.91Å; Y72-L74 HydrophobicContact CE1-CD2 3.22Å; Y72-L74 HydrophobicContact CE1-CG 3.79Å; Y72-L74 PolarHBondContact O-N 3.17Å; Y72-H77 PolarHBondContact OH-ND1 3.22Å; Y72-D78 WeakPolarHBondContact CD2-O 3.43Å; Y72-F79 HydrophobicContact CD1-CE1 4.07Å; Y72-F79 AromaticContact CD1-CZ 3.98Å; Y72-F79 HydrophobicContact CD1-CZ 3.98Å; Y72-F79 AromaticContact CD2-CD1 3.52Å; Y72-F79 HydrophobicContact CD2-CD1 3.52Å; Y72-F79 AromaticContact CD2-CD2 3.51Å; Y72-F79 HydrophobicContact CD2-CD2 3.51Å; Y72-F79 AromaticContact CD2-CE1 3.26Å; Y72-F79 HydrophobicContact CD2-CE1 3.26Å; Y72-F79 AromaticContact CD2-CE2 3.32Å; Y72-F79 HydrophobicContact CD2-CE2 3.32Å; Y72-F79 AromaticContact CD2-CG 3.64Å; Y72-F79 HydrophobicContact CD2-CG 3.64Å; Y72-F79 AromaticContact CD2-CZ 3.15Å; Y72-F79 HydrophobicContact CD2-CZ 3.15Å; Y72-F79 AromaticContact CE1-CZ 3.96Å; Y72-F79 HydrophobicContact CE1-CZ 3.96Å; Y72-F79 HydrophobicContact CE2-CD1 4.32Å; Y72-F79 AromaticContact CE2-CD2 3.55Å; Y72-F79 HydrophobicContact CE2-CD2 3.55Å; Y72-F79 AromaticContact CE2-CE1 3.86Å; Y72-F79 HydrophobicContact CE2-CE1 3.86Å; Y72-F79 AromaticContact CE2-CE2 3.05Å; Y72-F79 HydrophobicContact CE2-CE2 3.05Å; Y72-F79 HydrophobicContact CE2-CG 4.18Å; Y72-F79 AromaticContact CE2-CZ 3.21Å; Y72-F79 HydrophobicContact CE2-CZ 3.21Å; Y72-F79 AromaticContact CG-CD1 3.91Å; Y72-F79 HydrophobicContact CG-CD1 3.91Å; Y72-F79 AromaticContact CG-CE1 3.4Å; Y72-F79 HydrophobicContact CG-CE1 3.4Å; Y72-F79 VanDerWaalsContact CG-CE1 3.4Å; Y72-F79 HydrophobicContact CG-CE2 4.22Å; Y72-F79 HydrophobicContact CG-CG 4.48Å; Y72-F79 AromaticContact CG-CZ 3.59Å; Y72-F79 HydrophobicContact CG-CZ 3.59Å; Y72-F79 AromaticContact CZ-CE2 3.75Å; Y72-F79 AromaticContact CZ-CZ 3.62Å
73	D	69.4	Low	64.8	Low	55 Å²	55	60.1 Å²	60.1	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	102.2	169.7	-175.8	-11.9	0	0	0	109.4	Q75 N76 H77 D78	D73-Q75 VanDerWaalsContact C-N 3.26Å; D73-Q75 PolarHBondContact O-N 2.89Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.5Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.46Å; D73-Q75 PolarHBondContact OD1-N 3.21Å; D73-N76 PolarHBondContact OD1-N 3.07Å; D73-N76 PolarHBondContact OD2-ND2 3.29Å; D73-H77 CarbonylContact O-C 3.6Å; D73-H77 VanDerWaalsContact O-CA 3.28Å; D73-H77 WeakPolarHBondContact O-CA 3.39Å; D73-H77 PolarHBondContact O-N 2.78Å; D73-D78 HydrophobicContact CB-CB 4.23Å; D73-D78 PolarHBondContact N-O 3.34Å; D73-D78 PolarHBondContact O-N 3.06Å; D73-D78 VanDerWaalsContact O-N 3.11Å
74	L	62.6	Low	64.7	Low	117 Å²	117	59.1 Å²	59.1	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-28	176.4	-78.1	163.2	0	0	0	113.5	Y72	Y72-L74 HydrophobicContact CD1-CD2 3.81Å; Y72-L74 HydrophobicContact CD1-CG 3.91Å; Y72-L74 HydrophobicContact CE1-CD2 3.22Å; Y72-L74 HydrophobicContact CE1-CG 3.79Å; Y72-L74 PolarHBondContact O-N 3.17Å
75	Q	66.8	Low	64.3	Low	174 Å²	174	60.1 Å²	60.1	81%	0.813	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-42.3	-177.2	-64.3	-173.2	-2.3	0	0	111.3	D73	D73-Q75 VanDerWaalsContact C-N 3.26Å; D73-Q75 PolarHBondContact O-N 2.89Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.5Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.46Å; D73-Q75 PolarHBondContact OD1-N 3.21Å
76	N	68.2	Low	63.9	Low	100 Å²	100	56.3 Å²	56.3	54%	0.535	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-5.6	-179.2	-67.6	-56.8	0	0	0	113.6	D73 D78	D73-N76 PolarHBondContact OD1-N 3.07Å; D73-N76 PolarHBondContact OD2-ND2 3.29Å; N76-D78 HydrophobicContact CB-CB 4.15Å; N76-D78 PolarHBondContact O-N 3.49Å
77	H	63.5	Low	63.5	Low	80 Å²	80	57.2 Å²	57.2	37%	0.37	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	31.1	-167.2	-60.3	-65.5	0	0	0	112.7	Y72 D73	Y72-H77 PolarHBondContact OH-ND1 3.22Å; D73-H77 CarbonylContact O-C 3.6Å; D73-H77 VanDerWaalsContact O-CA 3.28Å; D73-H77 WeakPolarHBondContact O-CA 3.39Å; D73-H77 PolarHBondContact O-N 2.78Å
78	D	64.8	Low	62.9	Low	14 Å²	14	63.4 Å²	63.4	8%	0.075	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.4	-177.9	-80.4	-15.1	0	0	0	110.3	R49 Y72 D73 N76	R49-D78 WeakPolarHBondContact CB-OD1 3.5Å; R49-D78 WeakPolarHBondContact CD-OD1 3.09Å; R49-D78 WeakPolarHBondContact CG-OD1 3.42Å; R49-D78 IonicContact CZ-OD1 3.45Å; R49-D78 IonicContact CZ-OD2 3.57Å; R49-D78 IonicContact NE-OD1 3.28Å; R49-D78 PolarHBondContact NE-OD1 3.09Å; R49-D78 IonicContact NE-OD2 2.89Å; R49-D78 PolarHBondContact NE-OD2 2.69Å; R49-D78 IonicContact NH2-OD1 2.77Å; R49-D78 IonicContact NH2-OD2 3.7Å; R49-D78 PolarHBondContact NH2-OD2 3.06Å; Y72-D78 WeakPolarHBondContact CD2-O 3.43Å; D73-D78 HydrophobicContact CB-CB 4.23Å; D73-D78 PolarHBondContact N-O 3.34Å; D73-D78 PolarHBondContact O-N 3.06Å; D73-D78 VanDerWaalsContact O-N 3.11Å; N76-D78 HydrophobicContact CB-CB 4.15Å; N76-D78 PolarHBondContact O-N 3.49Å
79	F	62.6	Low	62.3	Low	6 Å²	6	63.7 Å²	63.7	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.7	168.9	-75.3	-91.4	0	0	0	109	L48 F50 C54 L59 Y72	L48-F79 CarbonylContact C-O 3.35Å; L48-F79 WeakPolarHBondContact CA-O 3.35Å; L48-F79 HydrophobicContact CB-CB 4.44Å; L48-F79 PolarHBondContact N-O 3.03Å; L48-F79 CarbonylContact O-C 3.43Å; L48-F79 WeakPolarHBondContact O-CA 3.43Å; L48-F79 WeakPolarHBondContact O-CB 3.39Å; L48-F79 PolarHBondContact O-N 2.87Å; F50-F79 HydrophobicContact CD2-CB 4.15Å; F50-F79 AromaticContact CD2-CD2 3.67Å; F50-F79 HydrophobicContact CD2-CD2 3.67Å; F50-F79 HydrophobicContact CD2-CE2 4.47Å; F50-F79 HydrophobicContact CD2-CG 4.21Å; F50-F79 HydrophobicContact CE2-CB 4.27Å; F50-F79 HydrophobicContact CE2-CD2 4.48Å; C54-F79 WeakPolarHBondContact SG-CE2 3.28Å; C54-F79 WeakPolarHBondContact SG-CZ 3.36Å; L59-F79 HydrophobicContact CB-CE1 4Å; L59-F79 HydrophobicContact CD1-CD1 3.99Å; L59-F79 HydrophobicContact CD1-CE1 3.22Å; L59-F79 HydrophobicContact CD1-CE2 3.94Å; L59-F79 HydrophobicContact CD1-CZ 3.18Å; L59-F79 HydrophobicContact CG-CE1 4.2Å; L59-F79 HydrophobicContact CG-CZ 4.49Å; Y72-F79 HydrophobicContact CD1-CE1 4.07Å; Y72-F79 AromaticContact CD1-CZ 3.98Å; Y72-F79 HydrophobicContact CD1-CZ 3.98Å; Y72-F79 AromaticContact CD2-CD1 3.52Å; Y72-F79 HydrophobicContact CD2-CD1 3.52Å; Y72-F79 AromaticContact CD2-CD2 3.51Å; Y72-F79 HydrophobicContact CD2-CD2 3.51Å; Y72-F79 AromaticContact CD2-CE1 3.26Å; Y72-F79 HydrophobicContact CD2-CE1 3.26Å; Y72-F79 AromaticContact CD2-CE2 3.32Å; Y72-F79 HydrophobicContact CD2-CE2 3.32Å; Y72-F79 AromaticContact CD2-CG 3.64Å; Y72-F79 HydrophobicContact CD2-CG 3.64Å; Y72-F79 AromaticContact CD2-CZ 3.15Å; Y72-F79 HydrophobicContact CD2-CZ 3.15Å; Y72-F79 AromaticContact CE1-CZ 3.96Å; Y72-F79 HydrophobicContact CE1-CZ 3.96Å; Y72-F79 HydrophobicContact CE2-CD1 4.32Å; Y72-F79 AromaticContact CE2-CD2 3.55Å; Y72-F79 HydrophobicContact CE2-CD2 3.55Å; Y72-F79 AromaticContact CE2-CE1 3.86Å; Y72-F79 HydrophobicContact CE2-CE1 3.86Å; Y72-F79 AromaticContact CE2-CE2 3.05Å; Y72-F79 HydrophobicContact CE2-CE2 3.05Å; Y72-F79 HydrophobicContact CE2-CG 4.18Å; Y72-F79 AromaticContact CE2-CZ 3.21Å; Y72-F79 HydrophobicContact CE2-CZ 3.21Å; Y72-F79 AromaticContact CG-CD1 3.91Å; Y72-F79 HydrophobicContact CG-CD1 3.91Å; Y72-F79 AromaticContact CG-CE1 3.4Å; Y72-F79 HydrophobicContact CG-CE1 3.4Å; Y72-F79 VanDerWaalsContact CG-CE1 3.4Å; Y72-F79 HydrophobicContact CG-CE2 4.22Å; Y72-F79 HydrophobicContact CG-CG 4.48Å; Y72-F79 AromaticContact CG-CZ 3.59Å; Y72-F79 HydrophobicContact CG-CZ 3.59Å; Y72-F79 AromaticContact CZ-CE2 3.75Å; Y72-F79 AromaticContact CZ-CZ 3.62Å
80	V	65.8	Low	61.4	Low	48 Å²	48	63 Å²	63	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.2	169	-176.1	0	0	0	0	107.4	T47 N71	T47-V80 HydrophobicContact CG2-CG2 3.97Å; N71-V80 HydrophobicContact CB-CB 4.31Å; N71-V80 PolarHBondContact N-O 2.77Å; N71-V80 PolarHBondContact O-N 2.73Å; N71-V80 VanDerWaalsContact O-O 3.13Å
81	L	63.9	Low	60.3	Low	2 Å²	2	76.4 Å²	76.4	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.9	178.4	-171.8	60.7	0	0	0	110.1	I27 F46 L48 L64 A67 V70 I83	I27-L81 HydrophobicContact CD1-CD2 4.1Å; I27-L81 HydrophobicContact CG1-CD2 4.4Å; I27-L81 HydrophobicContact CG2-CD2 3.4Å; F46-L81 CarbonylContact C-O 3.54Å; F46-L81 HydrophobicContact CD2-CB 4.5Å; F46-L81 HydrophobicContact CE1-CD2 4.39Å; F46-L81 HydrophobicContact CE2-CB 4.18Å; F46-L81 HydrophobicContact CE2-CD2 3.87Å; F46-L81 HydrophobicContact CE2-CG 4.44Å; F46-L81 HydrophobicContact CZ-CB 4.35Å; F46-L81 HydrophobicContact CZ-CD2 3.58Å; F46-L81 HydrophobicContact CZ-CG 4.16Å; F46-L81 PolarHBondContact N-O 3.44Å; F46-L81 VanDerWaalsContact N-O 3.11Å; F46-L81 CarbonylContact O-C 3.49Å; F46-L81 PolarHBondContact O-N 3.28Å; L48-L81 HydrophobicContact CD1-CB 4.33Å; L48-L81 HydrophobicContact CD1-CD2 4.21Å; L64-L81 HydrophobicContact CD1-CD1 3.78Å; L64-L81 HydrophobicContact CD1-CD2 4.43Å; A67-L81 HydrophobicContact CB-CD1 3.65Å; V70-L81 HydrophobicContact CB-CD1 4.29Å; V70-L81 HydrophobicContact CG1-CD1 4.3Å; V70-L81 HydrophobicContact CG2-CD1 3.61Å; L81-I83 HydrophobicContact CD2-CD1 3.76Å; L81-I83 HydrophobicContact CD2-CG1 3.98Å; L81-I83 HydrophobicContact CG-CD1 4.16Å; L81-I83 HydrophobicContact CG-CG1 3.8Å
82	K	66	Low	59.9	Low	61 Å²	61	75.4 Å²	75.4	27%	0.265	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.1	174.2	179.9	167.6	-169.8	-165.6	0	109.3	E43 I45 N68 D69	E43-K82 WeakPolarHBondContact OE1-CE 3.47Å; E43-K82 IonicContact OE1-NZ 2.73Å; E43-K82 PolarHBondContact OE1-NZ 2.9Å; E43-K82 IonicContact OE2-NZ 3.67Å; I45-K82 HydrophobicContact CD1-CD 4.35Å; I45-K82 HydrophobicContact CG1-CD 4.24Å; I45-K82 HydrophobicContact CG1-CG 4.11Å; N68-K82 PolarHBondContact N-O 3.31Å; D69-K82 HydrophobicContact CB-CB 4.11Å; D69-K82 PolarHBondContact N-O 2.82Å; D69-K82 PolarHBondContact O-N 3.06Å
83	I	63.1	Low	59.7	Low	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.6	177.9	-58.7	-159.8	0	0	0	107.6	V31 I37 L44 F46 F66 L81	V31-I83 HydrophobicContact CB-CD1 4.44Å; V31-I83 HydrophobicContact CG1-CD1 4.36Å; V31-I83 HydrophobicContact CG1-CG2 4.38Å; V31-I83 HydrophobicContact CG2-CD1 3.24Å; I37-I83 HydrophobicContact CD1-CG2 4.33Å; L44-I83 CarbonylContact C-O 3.57Å; L44-I83 WeakPolarHBondContact CA-O 3.43Å; L44-I83 PolarHBondContact N-O 2.94Å; L44-I83 CarbonylContact O-C 3.54Å; L44-I83 PolarHBondContact O-N 3.11Å; F46-I83 HydrophobicContact CD1-CG1 4.48Å; F46-I83 HydrophobicContact CE1-CB 4.04Å; F46-I83 HydrophobicContact CE1-CD1 3.39Å; F46-I83 HydrophobicContact CE1-CG1 3.51Å; F46-I83 HydrophobicContact CZ-CD1 3.47Å; F46-I83 VanDerWaalsContact CZ-CD1 3.47Å; F46-I83 HydrophobicContact CZ-CG1 3.97Å; F66-I83 HydrophobicContact CB-CG2 4Å; F66-I83 WeakPolarHBondContact O-CG2 3.34Å; L81-I83 HydrophobicContact CD2-CD1 3.76Å; L81-I83 HydrophobicContact CD2-CG1 3.98Å; L81-I83 HydrophobicContact CG-CD1 4.16Å; L81-I83 HydrophobicContact CG-CG1 3.8Å
84	T	61.6	Low	59.1	Low	35 Å²	35	79.7 Å²	79.7	22%	0.215	39%	0.392	C	S	.	.			trans	-106.7	104.8	171.5	-39.2	0	0	0	0	105.8	D42 E43 N68	D42-T84 WeakPolarHBondContact O-CG2 3.36Å; E43-T84 HydrophobicContact CB-CG2 3.95Å; E43-T84 HydrophobicContact CG-CG2 4.01Å; E43-T84 PolarHBondContact OE1-OG1 2.82Å; N68-T84 WeakPolarHBondContact ND2-CA 3.37Å; N68-T84 WeakPolarHBondContact ND2-CB 3.5Å; N68-T84 PolarHBondContact ND2-N 3.38Å; N68-T84 PolarHBondContact ND2-O 3.41Å; N68-T84 PolarHBondContact ND2-OG1 3.22Å
85	R	57.1	Low	58.9	Low	25 Å²	25	77.5 Å²	77.5	9%	0.094	38%	0.379	C	S	.	.			trans	-95.6	108.1	176.9	-164.1	177.3	177.4	-165.7	0.1	106.7	E34 I37 D42	E34-R85 IonicContact OE1-CZ 3.91Å; E34-R85 IonicContact OE1-NH1 2.76Å; E34-R85 IonicContact OE1-NH2 3.31Å; E34-R85 PolarHBondContact OE1-NH2 2.95Å; I37-R85 HydrophobicContact CD1-CB 4.07Å; D42-R85 CarbonylContact C-O 3.56Å; D42-R85 CarbonylContact O-C 3.53Å; D42-R85 PolarHBondContact O-N 3.04Å
86	T	54.6	Low	58.4	Low	71 Å²	71	71.4 Å²	71.4	44%	0.436	35%	0.352	S	S	.	.			trans	-72.3	135.5	169.1	58.6	0	0	0	0	108.1	N88 E89	T86-N88 PolarHBondContact O-N 3.32Å; T86-E89 PolarHBondContact O-N 3.25Å; T86-E89 VanDerWaalsContact O-N 3.12Å
87	S	53.4	Low	57.8	Low	76 Å²	76	69.5 Å²	69.5	53%	0.531	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-52.1	-13.9	179.8	42.3	0	0	0	0	114.7
88	N	51.7	Low	57.4	Low	139 Å²	139	68.8 Å²	68.8	74%	0.743	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-80.2	-17.1	179.5	-70.3	-25.4	0	0	0	115.4	T86 L90	T86-N88 PolarHBondContact O-N 3.32Å; N88-L90 PolarHBondContact O-N 2.74Å
89	E	51.2	Low	56.8	Low	103 Å²	103	73 Å²	73	48%	0.481	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-81.2	10.9	179.8	-64.1	-172.6	152	0	0	113.8	T86	T86-E89 PolarHBondContact O-N 3.25Å; T86-E89 VanDerWaalsContact O-N 3.12Å
90	L	45.6	Very low	56.3	Low	74 Å²	74	78.6 Å²	78.6	39%	0.387	39%	0.385	S	S	.	.			trans	-92.4	15.2	-175.9	-86.9	161.3	0	0	0	114.5	E34 N88	E34-L90 WeakPolarHBondContact OE1-CD2 3.49Å; N88-L90 PolarHBondContact O-N 2.74Å
91	R	42	Very low	55.5	Low	309 Å²	309	81.4 Å²	81.4	100%	1.166	39%	0.394	S	S	*	.			trans	-97.3	0	179.5	-89.3	-173.7	167.1	-177.6	-2.2	113.4

Retrieved 91 of 91 residues in 137 ms (Link to these results)

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