A0A075B7F1_HUMAN Loading...

Immunoglobulin heavy variable 3/OR16-8 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7F1, Species HUMAN (Homo sapiens, Human), Gene IGHV3OR16-8, Length 116 aa.

						>A0A075B7F1_HUMAN|A0A075B7F1|IGHV3OR16-8
MEFGLNWVFLVAIIKGAQCEVQLVESGGGLVQPGGSLRLSCPASGFTFSNHYMSWVRQAPGKGLEWVSYISGDSGYTNYADSVKGRFTISRDNANNSPYLQMNSLRAEDTAVYYCV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	58.9	Low	218 Å²	218	162.5 Å²	162.5	100%	1.074	84%	0.835	S	S	*	*				0	64.8	0	-78.3	164	48.6	0	0	106.6
2	E	43.1	Very low	59.6	Low	178 Å²	178	155.9 Å²	155.9	83%	0.832	82%	0.824	S	S	*	*				56.6	88.2	57.3	-66.5	-89.6	122.8	0	0	111.7
3	F	54.3	Low	60.5	Low	205 Å²	205	155 Å²	155	90%	0.899	82%	0.817	S	S	*	*			trans	-143.4	92.4	150.3	-80.4	-71	0	0	0	108.4
4	G	53.8	Low	60.7	Low	79 Å²	79	155.1 Å²	155.1	81%	0.814	82%	0.816	S	S	*	*			trans	-70.7	137.9	173.6	0	0	0	0	0	111.6
5	L	62.1	Low	60.7	Low	165 Å²	165	157.1 Å²	157.1	86%	0.864	82%	0.815	S	S	*	*			trans	-109.9	114.2	171	-138.7	77.5	0	0	0	109
6	N	57	Low	60.4	Low	157 Å²	157	150.2 Å²	150.2	84%	0.84	79%	0.794	S	S	*	*			trans	-67.7	127.9	-175.7	-154	3.2	0	0	0	110.9
7	W	61.4	Low	60.4	Low	208 Å²	208	146.6 Å²	146.6	79%	0.788	79%	0.791	S	S	*	*			trans	-89.1	106.9	-179.8	-74.1	63	0	0	0	110.6	F9	W7-F9 HydrophobicContact CB-CE2 4.4Å; W7-F9 HydrophobicContact CE3-CZ 4.2Å
8	V	73.9	Confident	60.4	Low	119 Å²	119	144.8 Å²	144.8	72%	0.721	78%	0.777	S	S	*	*			trans	-89.2	113	166.1	177.2	0	0	0	0	108.3	L10	V8-L10 PolarHBondContact O-N 3.38Å
9	F	64.2	Low	61.1	Low	171 Å²	171	143.1 Å²	143.1	75%	0.75	78%	0.776	S	S	*	*			trans	-81.3	100.9	170.9	-77.5	-84.8	0	0	0	110	W7	W7-F9 HydrophobicContact CB-CE2 4.4Å; W7-F9 HydrophobicContact CE3-CZ 4.2Å
10	L	67.1	Low	62.6	Low	161 Å²	161	142.8 Å²	142.8	84%	0.843	77%	0.769	S	S	*	*			trans	-84.5	109	165	-98.9	152.9	0	0	0	108.8	V8 A12	V8-L10 PolarHBondContact O-N 3.38Å; L10-A12 PolarHBondContact O-N 3.05Å
11	V	70.2	Confident	64.1	Low	126 Å²	126	140.3 Å²	140.3	76%	0.764	76%	0.759	S	S	*	*			trans	-80.9	104.5	169.3	-179.8	0	0	0	0	108.1	I13	V11-I13 PolarHBondContact O-N 2.88Å
12	A	67.7	Low	66.7	Low	84 Å²	84	133.5 Å²	133.5	69%	0.694	72%	0.724	S	S	*	*			trans	-78.2	110.4	168.6	0	0	0	0	0	109	L10 I14	L10-A12 PolarHBondContact O-N 3.05Å; A12-I14 PolarHBondContact O-N 2.8Å; A12-I14 VanDerWaalsContact O-N 3.07Å
13	I	70.1	Confident	69.3	Low	144 Å²	144	127.3 Å²	127.3	74%	0.738	70%	0.696	S	S	*	*			trans	-72.2	100.8	166.9	-58.4	175.8	0	0	0	106.6	V11 K15	V11-I13 PolarHBondContact O-N 2.88Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 HydrophobicContact CG2-CG 4.5Å; I13-K15 PolarHBondContact O-N 3.42Å
14	I	64.6	Low	71.3	Confident	156 Å²	156	121.6 Å²	121.6	80%	0.8	68%	0.678	S	S	*	*			trans	-67.7	96.3	168.5	-54.4	175.7	0	0	0	106	A12 G16	A12-I14 PolarHBondContact O-N 2.8Å; A12-I14 VanDerWaalsContact O-N 3.07Å; I14-G16 VanDerWaalsContact C-N 3.29Å; I14-G16 PolarHBondContact O-N 2.92Å
15	K	59.7	Low	73.4	Confident	185 Å²	185	121.4 Å²	121.4	80%	0.804	66%	0.656	S	S	*	*			trans	-63.9	99.7	164	-68.3	-167.5	177.8	-170.3	0	106	I13	I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 HydrophobicContact CG2-CG 4.5Å; I13-K15 PolarHBondContact O-N 3.42Å
16	G	56.8	Low	75.1	Confident	47 Å²	47	116.3 Å²	116.3	49%	0.485	64%	0.635	S	S	.	*			trans	-48.6	142.9	173.4	0	0	0	0	0	109.9	I14 Q18	I14-G16 VanDerWaalsContact C-N 3.29Å; I14-G16 PolarHBondContact O-N 2.92Å; G16-Q18 PolarHBondContact O-N 3.45Å; G16-Q18 VanDerWaalsContact O-N 3.14Å
17	A	60.1	Low	77	Confident	90 Å²	90	110.7 Å²	110.7	74%	0.744	61%	0.614	S	S	*	*			trans	-46.4	123.7	174.2	0	0	0	0	0	109	C19	A17-C19 PolarHBondContact O-N 3.03Å
18	Q	60.5	Low	78.7	Confident	114 Å²	114	103.7 Å²	103.7	53%	0.533	61%	0.606	S	S	.	*			trans	-69.3	70.8	-176.2	-67.5	-82.9	-61.6	0	0	109.9	G16 G45	G16-Q18 PolarHBondContact O-N 3.45Å; G16-Q18 VanDerWaalsContact O-N 3.14Å; Q18-G45 WeakPolarHBondContact O-CA 3.24Å
19	C	73.6	Confident	79.8	Confident	112 Å²	112	100.8 Å²	100.8	76%	0.757	60%	0.6	S	S	*	*			trans	-89.1	-10.4	174.6	-71.8	0	0	0	0	112.4	A17	A17-C19 PolarHBondContact O-N 3.03Å
20	E	91.3	Very high	81.3	Confident	137 Å²	137	101.3 Å²	101.3	64%	0.64	61%	0.61	S	S	*	*	S	Bend	trans	-84.4	129.2	175.2	-172.9	175.1	-159.6	0	0	109.8	Q22 G45	E20-Q22 HydrophobicContact CG-CG 4.45Å; E20-Q22 PolarHBondContact O-N 3.13Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
21	V	93	Very high	82.6	Confident	90 Å²	90	96.6 Å²	96.6	55%	0.545	59%	0.587	S	S	.	*			trans	-69.4	125.4	173.1	173.4	0	0	0	0	108.8	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; V21-F46 HydrophobicContact CG1-CD1 3.86Å; V21-F46 HydrophobicContact CG1-CE1 3.99Å; V21-F46 HydrophobicContact CG2-CD1 4.25Å
22	Q	95.8	Very high	83.8	Confident	75 Å²	75	98 Å²	98	35%	0.35	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	140.1	175.6	-55.3	-174.7	-17.4	0	0	110.6	E20 A43 S44	E20-Q22 HydrophobicContact CG-CG 4.45Å; E20-Q22 PolarHBondContact O-N 3.13Å; Q22-A43 CarbonylContact O-C 3.57Å; Q22-A43 VanDerWaalsContact O-CA 3.31Å; Q22-A43 WeakPolarHBondContact O-CA 3.38Å; Q22-S44 WeakPolarHBondContact CB-OG 3.33Å; Q22-S44 PolarHBondContact N-O 3.24Å; Q22-S44 PolarHBondContact O-N 2.96Å
23	L	97.3	Very high	85.1	Confident	48 Å²	48	99.1 Å²	99.1	25%	0.251	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	124.8	173.1	-67.3	-177.3	0	0	0	106.2	A43 F46 M53 C115	L23-A43 HydrophobicContact CD2-CB 3.46Å; L23-A43 VanDerWaalsContact CD2-CB 3.46Å; L23-F46 HydrophobicContact CD2-CE1 4.09Å; L23-F46 HydrophobicContact CD2-CZ 4.16Å; L23-M53 HydrophobicContact CD1-CE 4.31Å; L23-M53 HydrophobicContact CD2-CE 4.04Å; L23-C115 WeakPolarHBondContact CD1-O 2.97Å
24	V	97.2	Very high	86.4	Confident	85 Å²	85	94.7 Å²	94.7	52%	0.515	58%	0.576	S	S	.	*			trans	-127.3	97.3	-172.2	-174.4	0	0	0	0	110.8	C41 P42	V24-C41 WeakPolarHBondContact O-CA 3.43Å; V24-P42 PolarHBondContact N-O 3.5Å; V24-P42 WeakPolarHBondContact O-CD 3.31Å
25	E	98.2	Very high	88	Confident	75 Å²	75	88.3 Å²	88.3	35%	0.35	55%	0.549	S	S	.	.			trans	-69.8	142.5	-179.2	-61.9	87.8	162.9	0	0	113.1	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.51Å; E25-S40 WeakPolarHBondContact CA-O 3.46Å; E25-C41 HydrophobicContact CG-CB 4.4Å; E25-W55 HydrophobicContact CG-CH2 4.3Å; E25-W55 HydrophobicContact CG-CZ3 4.05Å; E25-Y114 VanDerWaalsContact OE1-CA 3.29Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.41Å; E25-C115 VanDerWaalsContact CG-SG 3.55Å; E25-C115 PolarHBondContact OE1-N 2.83Å; E25-C115 PolarHBondContact OE1-SG 3Å
26	S	97.9	Very high	89.8	Confident	59 Å²	59	82.5 Å²	82.5	41%	0.413	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-153.7	171.2	174.5	60.9	0	0	0	0	111.9	L39 S40	S26-L39 VanDerWaalsContact O-CA 3.32Å; S26-L39 WeakPolarHBondContact O-CA 3.42Å; S26-S40 PolarHBondContact N-O 3.26Å; S26-S40 PolarHBondContact O-N 3.08Å; S26-S40 PolarHBondContact OG-OG 2.83Å
27	G	97.4	Very high	91.7	Very high	39 Å²	39	82 Å²	82	40%	0.402	52%	0.517	S	S	.	.			trans	90.1	5.9	179.8	0	0	0	0	0	114.9
28	G	96.7	Very high	93.5	Very high	61 Å²	61	84 Å²	84	63%	0.629	51%	0.506	S	S	*	.			trans	-70.6	167.3	169.4	0	0	0	0	0	112.5
29	G	96.2	Very high	95.4	Very high	57 Å²	57	79.1 Å²	79.1	59%	0.588	48%	0.483	S	S	*	.			trans	160.3	179.1	178.3	0	0	0	0	0	112.5
30	L	96.1	Very high	96.5	Very high	183 Å²	183	74.9 Å²	74.9	96%	0.958	46%	0.455	S	S	*	.			trans	-79	133.6	172.7	-66.3	173.3	0	0	0	109.8
31	V	95.4	Very high	96.9	Very high	62 Å²	62	68.4 Å²	68.4	38%	0.376	42%	0.424	S	S	.	.			trans	-135.1	151.8	172.8	-69.8	0	0	0	0	111.2	L37 L105	V31-L37 HydrophobicContact CB-CG 4.43Å; V31-L37 HydrophobicContact CG1-CD1 3.82Å; V31-L37 HydrophobicContact CG1-CD2 3.39Å; V31-L37 HydrophobicContact CG1-CG 3.41Å; V31-L37 VanDerWaalsContact CG1-CG 3.41Å; V31-L37 HydrophobicContact CG2-CD1 4.01Å; V31-L37 HydrophobicContact CG2-CG 4.23Å; V31-L105 HydrophobicContact CG2-CB 4.41Å; V31-L105 HydrophobicContact CG2-CD1 3.69Å
32	Q	94.7	Very high	97.1	Very high	156 Å²	156	66.9 Å²	66.9	73%	0.729	42%	0.417	S	S	*	.			trans	-70.3	149.8	172.6	-62.5	-61.1	-22.1	0	0	110.4	G34 G35	Q32-G34 PolarHBondContact O-N 2.92Å; Q32-G35 WeakPolarHBondContact O-CA 3.11Å; Q32-G35 PolarHBondContact O-N 2.91Å
33	P	94.8	Very high	97.1	Very high	106 Å²	106	63.7 Å²	63.7	69%	0.688	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	135.4	171	-25.9	34.8	0	0	0	111.7	G35	P33-G35 PolarHBondContact O-N 3.18Å
34	G	96.9	Very high	97.1	Very high	52 Å²	52	63 Å²	63	54%	0.536	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-8.1	-173.1	0	0	0	0	0	114.5	Q32 L105	Q32-G34 PolarHBondContact O-N 2.92Å; G34-L105 PolarHBondContact N-O 2.8Å
35	G	97.8	Very high	96.9	Very high	22 Å²	22	60.4 Å²	60.4	23%	0.227	39%	0.392	C	S	.	.			trans	-66.8	-179.9	175.1	0	0	0	0	0	113.4	Q32 P33 S104 L105	Q32-G35 WeakPolarHBondContact O-CA 3.11Å; Q32-G35 PolarHBondContact O-N 2.91Å; P33-G35 PolarHBondContact O-N 3.18Å; G35-S104 PolarHBondContact O-N 2.94Å; G35-L105 PolarHBondContact O-N 2.69Å
36	S	97.9	Very high	96.7	Very high	63 Å²	63	59.2 Å²	59.2	44%	0.441	39%	0.386	S	S	.	.			trans	-131.5	149	-179.6	-55.8	0	0	0	0	111.5	M102 N103	S36-M102 CarbonylContact C-O 3.55Å; S36-M102 WeakPolarHBondContact CA-O 3.4Å; S36-M102 WeakPolarHBondContact CB-O 3.42Å; S36-N103 PolarHBondContact OG-OD1 2.87Å
37	L	97.5	Very high	96.6	Very high	37 Å²	37	60.3 Å²	60.3	19%	0.194	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.6	173.4	-76.9	175.6	0	0	0	109.6	V31 M102 L105	V31-L37 HydrophobicContact CB-CG 4.43Å; V31-L37 HydrophobicContact CG1-CD1 3.82Å; V31-L37 HydrophobicContact CG1-CD2 3.39Å; V31-L37 HydrophobicContact CG1-CG 3.41Å; V31-L37 VanDerWaalsContact CG1-CG 3.41Å; V31-L37 HydrophobicContact CG2-CD1 4.01Å; V31-L37 HydrophobicContact CG2-CG 4.23Å; L37-M102 HydrophobicContact CB-CE 3.55Å; L37-M102 HydrophobicContact CD1-CE 4.01Å; L37-M102 HydrophobicContact CG-CE 4.42Å; L37-M102 PolarHBondContact N-O 3.34Å; L37-M102 PolarHBondContact O-N 3.11Å; L37-L105 HydrophobicContact CB-CD1 3.97Å; L37-L105 HydrophobicContact CD1-CD1 3.99Å; L37-L105 HydrophobicContact CG-CD1 3.9Å
38	R	98.3	Very high	96.5	Very high	131 Å²	131	58.5 Å²	58.5	49%	0.494	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.9	169	-171.9	176.1	177.3	-173	-1	109	Y99 L100	R38-Y99 VanDerWaalsContact NH2-CG 3.34Å; R38-L100 WeakPolarHBondContact CA-O 3.33Å
39	L	98.6	Very high	96.5	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	149.7	171.3	-51.3	-176.6	0	0	0	109.9	S26 W55 Y99 L100 M102 Y113	S26-L39 VanDerWaalsContact O-CA 3.32Å; S26-L39 WeakPolarHBondContact O-CA 3.42Å; L39-W55 HydrophobicContact CB-CH2 3.63Å; L39-W55 HydrophobicContact CB-CZ2 4.04Å; L39-W55 HydrophobicContact CB-CZ3 4.1Å; L39-W55 HydrophobicContact CD1-CE3 4.28Å; L39-W55 HydrophobicContact CD1-CH2 4.31Å; L39-W55 HydrophobicContact CD1-CZ3 3.9Å; L39-Y99 VanDerWaalsContact O-CA 3.23Å; L39-Y99 WeakPolarHBondContact O-CA 3.24Å; L39-L100 HydrophobicContact CB-CB 4.23Å; L39-L100 HydrophobicContact CD1-CD2 4.34Å; L39-L100 PolarHBondContact N-O 2.74Å; L39-L100 PolarHBondContact O-N 3.42Å; L39-M102 HydrophobicContact CD1-CE 3.88Å; L39-M102 HydrophobicContact CD1-SD 4.13Å; L39-M102 HydrophobicContact CD2-CE 3.88Å; L39-M102 HydrophobicContact CG-CE 3.66Å; L39-M102 HydrophobicContact CG-SD 4.35Å; L39-Y113 VanDerWaalsContact CD1-CB 3.5Å; L39-Y113 HydrophobicContact CD1-CD1 3.97Å; L39-Y113 HydrophobicContact CD1-CD2 4.28Å; L39-Y113 HydrophobicContact CD1-CG 3.67Å
40	S	98.5	Very high	96.5	Very high	23 Å²	23	60.9 Å²	60.9	16%	0.161	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.7	170.7	78.2	0	0	0	0	110.5	E25 S26 Y99	E25-S40 CarbonylContact C-O 3.51Å; E25-S40 WeakPolarHBondContact CA-O 3.46Å; S26-S40 PolarHBondContact N-O 3.26Å; S26-S40 PolarHBondContact O-N 3.08Å; S26-S40 PolarHBondContact OG-OG 2.83Å; S40-Y99 VanDerWaalsContact CB-CD1 3.45Å; S40-Y99 VanDerWaalsContact CB-CE1 3.44Å
41	C	98.4	Very high	96.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.335	C	S	.	.			trans	-142	80.3	178	168.3	0	0	0	0	111.7	V24 E25 A43 W55 P98 C115	V24-C41 WeakPolarHBondContact O-CA 3.43Å; E25-C41 HydrophobicContact CG-CB 4.4Å; C41-A43 PolarHBondContact O-N 3.23Å; C41-W55 HydrophobicContact CB-CH2 3.93Å; C41-W55 HydrophobicContact CB-CZ2 4.1Å; C41-P98 HydrophobicContact CB-CG 4.15Å; C41-P98 PolarHBondContact N-O 3.12Å; C41-P98 VanDerWaalsContact N-O 3.11Å; C41-P98 WeakPolarHBondContact O-CD 3.19Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.5Å; C41-C115 WeakPolarHBondContact SG-CB 3.2Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.12Å
42	P	97.3	Very high	96.6	Very high	59 Å²	59	60 Å²	60	38%	0.383	34%	0.342	S	S	.	.			trans	-53.8	129.6	172.8	-27.2	37.2	0	0	0	111.5	V24 S97	V24-P42 PolarHBondContact N-O 3.5Å; V24-P42 WeakPolarHBondContact O-CD 3.31Å; P42-S97 WeakPolarHBondContact CA-OG 3.49Å
43	A	96.9	Very high	96.7	Very high	8 Å²	8	52.6 Å²	52.6	7%	0.066	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.4	-177.5	0	0	0	0	0	111.1	Q22 L23 C41 F46 F48 N96	Q22-A43 CarbonylContact O-C 3.57Å; Q22-A43 VanDerWaalsContact O-CA 3.31Å; Q22-A43 WeakPolarHBondContact O-CA 3.38Å; L23-A43 HydrophobicContact CD2-CB 3.46Å; L23-A43 VanDerWaalsContact CD2-CB 3.46Å; C41-A43 PolarHBondContact O-N 3.23Å; A43-F46 HydrophobicContact CB-CE1 3.74Å; A43-F46 HydrophobicContact CB-CZ 3.69Å; A43-F48 HydrophobicContact CB-CD2 3.76Å; A43-F48 HydrophobicContact CB-CE2 4.22Å; A43-N96 HydrophobicContact CB-CB 4.48Å; A43-N96 VanDerWaalsContact CB-O 3.3Å; A43-N96 WeakPolarHBondContact CB-O 3.41Å; A43-N96 PolarHBondContact N-O 2.93Å; A43-N96 VanDerWaalsContact O-CB 3.24Å; A43-N96 WeakPolarHBondContact O-CB 3.29Å
44	S	95.5	Very high	96.9	Very high	34 Å²	34	48.5 Å²	48.5	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	166	174.5	68	0	0	0	0	111.3	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.34Å; Q22-S44 WeakPolarHBondContact CB-OG 3.33Å; Q22-S44 PolarHBondContact N-O 3.24Å; Q22-S44 PolarHBondContact O-N 2.96Å; S44-F46 WeakPolarHBondContact O-CD1 3.4Å
45	G	94.3	Very high	97	Very high	29 Å²	29	46 Å²	46	30%	0.299	26%	0.256	S	S	.	.	S	Bend	trans	86.9	1	179.5	0	0	0	0	0	115.6	Q18 E20	Q18-G45 WeakPolarHBondContact O-CA 3.24Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
46	F	93.6	Very high	97	Very high	51 Å²	51	46 Å²	46	22%	0.224	25%	0.251	C	S	.	.	S	Bend	trans	-154.2	166.2	176.9	66.4	-78.6	0	0	0	112.5	V21 L23 A43 S44 F48 H51 M53	V21-F46 HydrophobicContact CG1-CD1 3.86Å; V21-F46 HydrophobicContact CG1-CE1 3.99Å; V21-F46 HydrophobicContact CG2-CD1 4.25Å; L23-F46 HydrophobicContact CD2-CE1 4.09Å; L23-F46 HydrophobicContact CD2-CZ 4.16Å; A43-F46 HydrophobicContact CB-CE1 3.74Å; A43-F46 HydrophobicContact CB-CZ 3.69Å; S44-F46 WeakPolarHBondContact O-CD1 3.4Å; F46-F48 HydrophobicContact CE2-CB 4.29Å; F46-F48 HydrophobicContact CE2-CD2 4.18Å; F46-F48 HydrophobicContact CZ-CD2 4.14Å; F46-F48 PolarHBondContact O-N 2.87Å; F46-H51 HydrophobicContact CD2-CB 4.4Å; F46-H51 AromaticContact CD2-CE1 3.98Å; F46-H51 AromaticContact CD2-CG 3.92Å; F46-H51 AromaticContact CD2-ND1 3.55Å; F46-H51 HydrophobicContact CE2-CB 4.02Å; F46-M53 HydrophobicContact CZ-SD 4.45Å
47	T	94.9	Very high	97	Very high	81 Å²	81	43.7 Å²	43.7	50%	0.497	23%	0.233	S	C	.	.			trans	-75.4	89.9	173.1	-52.9	0	0	0	0	110	S49 N50 H51	T47-S49 VanDerWaalsContact C-N 3.29Å; T47-S49 WeakPolarHBondContact CG2-OG 3.49Å; T47-S49 PolarHBondContact O-N 3.33Å; T47-N50 HydrophobicContact CG2-CB 4.3Å; T47-N50 PolarHBondContact O-N 3.35Å; T47-N50 VanDerWaalsContact O-N 3.12Å; T47-H51 PolarHBondContact O-ND1 3.19Å
48	F	96.2	Very high	97.1	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-52.2	-41.9	-176.2	177.2	-104.2	0	0	0	113.8	A43 F46 N50 H51 M53 R91 N93 N96 P98	A43-F48 HydrophobicContact CB-CD2 3.76Å; A43-F48 HydrophobicContact CB-CE2 4.22Å; F46-F48 HydrophobicContact CE2-CB 4.29Å; F46-F48 HydrophobicContact CE2-CD2 4.18Å; F46-F48 HydrophobicContact CZ-CD2 4.14Å; F46-F48 PolarHBondContact O-N 2.87Å; F48-N50 PolarHBondContact O-N 3.33Å; F48-N50 VanDerWaalsContact O-N 3.13Å; F48-H51 PolarHBondContact O-N 3.4Å; F48-H51 VanDerWaalsContact O-N 3.11Å; F48-M53 HydrophobicContact CD2-CG 4.39Å; F48-M53 HydrophobicContact CD2-SD 4.06Å; F48-M53 HydrophobicContact CE2-CE 4.44Å; F48-M53 HydrophobicContact CE2-CG 3.52Å; F48-M53 HydrophobicContact CE2-SD 3.65Å; F48-M53 HydrophobicContact CZ-CG 3.97Å; F48-R91 HydrophobicContact CE1-CB 4.28Å; F48-R91 HydrophobicContact CZ-CB 4.21Å; F48-R91 PolarHBondContact O-NH2 2.94Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.35Å; F48-N93 VanDerWaalsContact CE1-OD1 3.24Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.05Å; F48-N96 HydrophobicContact CB-CB 3.9Å; F48-N96 WeakPolarHBondContact CB-OD1 3.41Å; F48-N96 HydrophobicContact CD1-CB 4.27Å; F48-N96 HydrophobicContact CG-CB 4Å; F48-P98 HydrophobicContact CE2-CG 4.1Å; F48-P98 HydrophobicContact CZ-CB 4.3Å; F48-P98 HydrophobicContact CZ-CG 4.23Å
49	S	96.4	Very high	97.1	Very high	49 Å²	49	40 Å²	40	34%	0.343	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.7	-178.9	59.7	0	0	0	0	114.3	T47 H51 G72	T47-S49 VanDerWaalsContact C-N 3.29Å; T47-S49 WeakPolarHBondContact CG2-OG 3.49Å; T47-S49 PolarHBondContact O-N 3.33Å; S49-H51 VanDerWaalsContact C-N 3.33Å; S49-G72 CarbonylContact O-C 3.55Å; S49-G72 WeakPolarHBondContact O-CA 3.5Å
50	N	95.8	Very high	97	Very high	120 Å²	120	44.7 Å²	44.7	64%	0.642	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-87.9	-5.8	-177	-65.6	-0.1	0	0	0	112.9	T47 F48	T47-N50 HydrophobicContact CG2-CB 4.3Å; T47-N50 PolarHBondContact O-N 3.35Å; T47-N50 VanDerWaalsContact O-N 3.12Å; F48-N50 PolarHBondContact O-N 3.33Å; F48-N50 VanDerWaalsContact O-N 3.13Å
51	H	96.3	Very high	96.9	Very high	91 Å²	91	48 Å²	48	42%	0.421	29%	0.292	S	S	.	.	S	Bend	trans	-112.8	147.3	-174.5	-65.5	77.5	0	0	0	111.1	F46 T47 F48 S49 R91	F46-H51 HydrophobicContact CD2-CB 4.4Å; F46-H51 AromaticContact CD2-CE1 3.98Å; F46-H51 AromaticContact CD2-CG 3.92Å; F46-H51 AromaticContact CD2-ND1 3.55Å; F46-H51 HydrophobicContact CE2-CB 4.02Å; T47-H51 PolarHBondContact O-ND1 3.19Å; F48-H51 PolarHBondContact O-N 3.4Å; F48-H51 VanDerWaalsContact O-N 3.11Å; S49-H51 VanDerWaalsContact C-N 3.33Å; H51-R91 PolarHBondContact O-NH1 2.86Å
52	Y	97.5	Very high	96.9	Very high	134 Å²	134	55 Å²	55	53%	0.525	32%	0.323	S	S	.	.			trans	-76.8	151	165.4	-60.1	-88.4	0	0	0	109.3	Y69 I70 S71	Y52-Y69 AromaticContact CD1-CE1 3.59Å; Y52-Y69 HydrophobicContact CD1-CE1 3.59Å; Y52-Y69 AromaticContact CD1-CE2 3.65Å; Y52-Y69 HydrophobicContact CD1-CE2 3.65Å; Y52-Y69 AromaticContact CD1-CZ 3Å; Y52-Y69 WeakPolarHBondContact CD1-OH 3.23Å; Y52-Y69 HydrophobicContact CE1-CE1 4.03Å; Y52-Y69 AromaticContact CE1-CZ 3.65Å; Y52-Y69 WeakPolarHBondContact CE1-OH 3.32Å; Y52-Y69 HydrophobicContact CG-CE1 4.44Å; Y52-Y69 AromaticContact CG-CE2 3.68Å; Y52-Y69 HydrophobicContact CG-CE2 3.68Å; Y52-Y69 AromaticContact CG-CZ 3.49Å; Y52-Y69 VanDerWaalsContact CG-CZ 3.49Å; Y52-I70 WeakPolarHBondContact CA-O 3.38Å; Y52-S71 VanDerWaalsContact CE1-CB 3.49Å
53	M	98	Very high	96.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	174.7	-59.4	-57.4	-51.9	0	0	109.5	L23 F46 F48 Y69 I70 P98 V116	L23-M53 HydrophobicContact CD1-CE 4.31Å; L23-M53 HydrophobicContact CD2-CE 4.04Å; F46-M53 HydrophobicContact CZ-SD 4.45Å; F48-M53 HydrophobicContact CD2-CG 4.39Å; F48-M53 HydrophobicContact CD2-SD 4.06Å; F48-M53 HydrophobicContact CE2-CE 4.44Å; F48-M53 HydrophobicContact CE2-CG 3.52Å; F48-M53 HydrophobicContact CE2-SD 3.65Å; F48-M53 HydrophobicContact CZ-CG 3.97Å; M53-Y69 CarbonylContact O-C 3.57Å; M53-Y69 WeakPolarHBondContact O-CA 3.38Å; M53-I70 HydrophobicContact CB-CG2 3.96Å; M53-I70 PolarHBondContact N-O 2.84Å; M53-I70 PolarHBondContact O-N 2.96Å; M53-P98 HydrophobicContact CB-CB 4.03Å; M53-P98 HydrophobicContact CB-CG 4.16Å; M53-P98 HydrophobicContact CE-CG 4.01Å; M53-P98 HydrophobicContact CG-CB 4.14Å; M53-P98 HydrophobicContact CG-CG 4.01Å; M53-V116 CarbonylContact C-O 3.57Å; M53-V116 WeakPolarHBondContact CA-O 3.21Å; M53-V116 WeakPolarHBondContact CE-O 2.7Å
54	S	98.5	Very high	96.9	Very high	21 Å²	21	60.2 Å²	60.2	15%	0.147	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157.5	171.9	-47.2	0	0	0	0	111.6	S68 Y69 C115 V116	S54-S68 CarbonylContact C-O 3.56Å; S54-S68 WeakPolarHBondContact CA-O 3.39Å; S54-S68 WeakPolarHBondContact CB-O 3.38Å; S54-Y69 WeakPolarHBondContact OG-CD2 3.48Å; S54-C115 WeakPolarHBondContact O-CA 3.43Å; S54-V116 PolarHBondContact N-O 2.8Å; S54-V116 PolarHBondContact O-N 2.95Å
55	W	98.7	Very high	97	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.6	161.2	-72.7	91.7	0	0	0	109.4	E25 L39 C41 V67 S68 L100 Y114 C115	E25-W55 HydrophobicContact CG-CH2 4.3Å; E25-W55 HydrophobicContact CG-CZ3 4.05Å; L39-W55 HydrophobicContact CB-CH2 3.63Å; L39-W55 HydrophobicContact CB-CZ2 4.04Å; L39-W55 HydrophobicContact CB-CZ3 4.1Å; L39-W55 HydrophobicContact CD1-CE3 4.28Å; L39-W55 HydrophobicContact CD1-CH2 4.31Å; L39-W55 HydrophobicContact CD1-CZ3 3.9Å; C41-W55 HydrophobicContact CB-CH2 3.93Å; C41-W55 HydrophobicContact CB-CZ2 4.1Å; W55-V67 HydrophobicContact CB-CB 4.1Å; W55-V67 HydrophobicContact CB-CG1 4.48Å; W55-V67 VanDerWaalsContact O-CB 3.32Å; W55-V67 WeakPolarHBondContact O-CB 3.45Å; W55-V67 PolarHBondContact O-N 2.94Å; W55-S68 PolarHBondContact N-O 3.06Å; W55-S68 PolarHBondContact O-N 3.41Å; W55-L100 HydrophobicContact CB-CD2 4.14Å; W55-L100 HydrophobicContact CD2-CB 4.03Å; W55-L100 HydrophobicContact CD2-CD2 4.15Å; W55-L100 HydrophobicContact CG-CB 4.15Å; W55-L100 HydrophobicContact CG-CD1 4.35Å; W55-L100 HydrophobicContact CG-CD2 3.94Å; W55-L100 HydrophobicContact CG-CG 4.38Å; W55-L100 HydrophobicContact CZ2-CB 4.2Å; W55-Y114 WeakPolarHBondContact CA-O 3.38Å; W55-C115 HydrophobicContact CE3-CB 4.37Å; W55-C115 HydrophobicContact CH2-CB 4.19Å; W55-C115 HydrophobicContact CZ2-CB 4.34Å; W55-C115 HydrophobicContact CZ3-CB 4.2Å
56	V	98.5	Very high	97.2	Very high	22 Å²	22	65.3 Å²	65.3	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.2	173.8	-179.6	0	0	0	0	107.4	L64 E65 Y113 Y114 V116	V56-L64 HydrophobicContact CG1-CB 3.81Å; V56-L64 HydrophobicContact CG1-CD2 3.85Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-E65 CarbonylContact C-O 3.6Å; V56-E65 WeakPolarHBondContact CA-O 3.32Å; V56-E65 WeakPolarHBondContact CG1-O 3.49Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.33Å; V56-Y114 PolarHBondContact N-O 3.25Å; V56-Y114 PolarHBondContact O-N 3.18Å; V56-V116 HydrophobicContact CG2-CG2 3.88Å
57	R	98.2	Very high	97.4	Very high	13 Å²	13	62.9 Å²	62.9	5%	0.049	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.6	176.5	73.4	178.7	-179.4	-175.1	-4.2	112.1	E65 V67 S82 D109 A111 V112 Y113	R57-E65 HydrophobicContact CG-CB 4.11Å; R57-E65 IonicContact CZ-OE1 2.69Å; R57-E65 IonicContact CZ-OE2 3.18Å; R57-E65 VanDerWaalsContact CZ-OE2 3.28Å; R57-E65 PolarHBondContact N-O 2.79Å; R57-E65 IonicContact NE-OE1 2.92Å; R57-E65 IonicContact NE-OE2 2.91Å; R57-E65 PolarHBondContact NE-OE2 2.71Å; R57-E65 IonicContact NH2-OE1 3.84Å; R57-E65 PolarHBondContact NH2-OE1 2.85Å; R57-E65 VanDerWaalsContact NH2-OE1 3.15Å; R57-E65 IonicContact NH2-OE2 3.84Å; R57-E65 PolarHBondContact NH2-OE2 2.92Å; R57-E65 PolarHBondContact O-N 3.34Å; R57-V67 HydrophobicContact CB-CG2 3.73Å; R57-V67 HydrophobicContact CG-CG2 3.57Å; R57-S82 PolarHBondContact NH2-OG 2.94Å; R57-D109 IonicContact NH1-OD1 3.98Å; R57-D109 PolarHBondContact NH1-OD1 3.13Å; R57-A111 HydrophobicContact CB-CB 3.88Å; R57-A111 HydrophobicContact CG-CB 4.29Å; R57-V112 CarbonylContact C-O 3.48Å; R57-V112 VanDerWaalsContact CA-O 3.23Å; R57-V112 WeakPolarHBondContact CA-O 3.37Å; R57-Y113 HydrophobicContact CB-CD1 3.86Å; R57-Y113 HydrophobicContact CB-CD2 4.34Å; R57-Y113 HydrophobicContact CB-CE1 3.75Å; R57-Y113 HydrophobicContact CB-CE2 4.22Å; R57-Y113 HydrophobicContact CB-CG 4.15Å; R57-Y113 HydrophobicContact CG-CE1 4.49Å
58	Q	98.3	Very high	97.6	Very high	75 Å²	75	59 Å²	59	35%	0.35	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	105.5	172.3	-164.2	176.3	18.9	0	0	110	K62 L64 A111 V112 Y114	Q58-K62 WeakPolarHBondContact CG-O 3.23Å; Q58-K62 PolarHBondContact NE2-O 2.95Å; Q58-L64 HydrophobicContact CB-CD2 3.98Å; Q58-L64 HydrophobicContact CG-CD2 4.33Å; Q58-A111 WeakPolarHBondContact O-CA 3.2Å; Q58-A111 VanDerWaalsContact O-CB 3.32Å; Q58-A111 WeakPolarHBondContact O-CB 3.45Å; Q58-V112 PolarHBondContact N-O 2.94Å; Q58-V112 PolarHBondContact O-N 3.19Å; Q58-Y114 HydrophobicContact CB-CE2 4.19Å
59	A	97.9	Very high	97.7	Very high	17 Å²	17	61.5 Å²	61.5	14%	0.14	34%	0.343	C	S	.	.			trans	-74.7	152.8	172.6	0	0	0	0	0	110.7	G61 K62 A111	A59-G61 PolarHBondContact O-N 2.92Å; A59-K62 HydrophobicContact CB-CB 4.15Å; A59-K62 HydrophobicContact CB-CD 4.06Å; A59-K62 HydrophobicContact CB-CG 4.19Å; A59-K62 PolarHBondContact O-N 3.03Å; A59-A111 HydrophobicContact CB-CB 4.32Å
60	P	97.2	Very high	97.8	Very high	110 Å²	110	59.4 Å²	59.4	71%	0.714	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	124.5	177.7	-26.4	34.6	0	0	0	112.1	K62 T110	P60-K62 PolarHBondContact O-N 2.91Å; P60-T110 WeakPolarHBondContact CD-O 3.35Å
61	G	97.3	Very high	97.9	Very high	93 Å²	93	53.9 Å²	53.9	96%	0.959	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	9.4	-179.5	0	0	0	0	0	115.6	A59	A59-G61 PolarHBondContact O-N 2.92Å
62	K	96.6	Very high	98	Very high	147 Å²	147	50.2 Å²	50.2	64%	0.639	29%	0.285	S	S	*	.			trans	-114.1	163.2	176.7	-60.1	-164.2	-177.9	178.5	0	112.1	Q58 A59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.23Å; Q58-K62 PolarHBondContact NE2-O 2.95Å; A59-K62 HydrophobicContact CB-CB 4.15Å; A59-K62 HydrophobicContact CB-CD 4.06Å; A59-K62 HydrophobicContact CB-CG 4.19Å; A59-K62 PolarHBondContact O-N 3.03Å; P60-K62 PolarHBondContact O-N 2.91Å
63	G	96.6	Very high	97.9	Very high	57 Å²	57	50 Å²	50	59%	0.588	29%	0.293	S	S	*	.			trans	-71.2	179.9	169.9	0	0	0	0	0	112.7
64	L	97.8	Very high	97.9	Very high	118 Å²	118	52.5 Å²	52.5	62%	0.618	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.2	173.4	-65.7	171.8	0	0	0	110.6	V56 Q58 Y114	V56-L64 HydrophobicContact CG1-CB 3.81Å; V56-L64 HydrophobicContact CG1-CD2 3.85Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; Q58-L64 HydrophobicContact CB-CD2 3.98Å; Q58-L64 HydrophobicContact CG-CD2 4.33Å; L64-Y114 HydrophobicContact CD2-CD2 4.38Å; L64-Y114 HydrophobicContact CD2-CE2 4.39Å
65	E	98.2	Very high	97.8	Very high	74 Å²	74	54.8 Å²	54.8	35%	0.346	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.1	174.3	-173	-169.6	169.9	0	0	108.7	V56 R57 S82	V56-E65 CarbonylContact C-O 3.6Å; V56-E65 WeakPolarHBondContact CA-O 3.32Å; V56-E65 WeakPolarHBondContact CG1-O 3.49Å; R57-E65 HydrophobicContact CG-CB 4.11Å; R57-E65 IonicContact CZ-OE1 2.69Å; R57-E65 IonicContact CZ-OE2 3.18Å; R57-E65 VanDerWaalsContact CZ-OE2 3.28Å; R57-E65 PolarHBondContact N-O 2.79Å; R57-E65 IonicContact NE-OE1 2.92Å; R57-E65 IonicContact NE-OE2 2.91Å; R57-E65 PolarHBondContact NE-OE2 2.71Å; R57-E65 IonicContact NH2-OE1 3.84Å; R57-E65 PolarHBondContact NH2-OE1 2.85Å; R57-E65 VanDerWaalsContact NH2-OE1 3.15Å; R57-E65 IonicContact NH2-OE2 3.84Å; R57-E65 PolarHBondContact NH2-OE2 2.92Å; R57-E65 PolarHBondContact O-N 3.34Å; E65-S82 PolarHBondContact OE1-OG 2.77Å
66	W	98.4	Very high	97.8	Very high	97 Å²	97	61 Å²	61	37%	0.367	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138	172.2	176.1	84.5	0	0	0	110.3	S68 N78 A80	W66-S68 VanDerWaalsContact CZ2-C 3.47Å; W66-S68 PolarHBondContact NE1-O 2.78Å; W66-N78 HydrophobicContact CH2-CB 3.89Å; W66-N78 HydrophobicContact CZ2-CB 4.27Å; W66-A80 HydrophobicContact CE3-CB 3.86Å; W66-A80 HydrophobicContact CZ3-CB 3.98Å; W66-A80 VanDerWaalsContact O-CB 3.23Å; W66-A80 WeakPolarHBondContact O-CB 3.49Å
67	V	98.6	Very high	97.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-51.3	-174.3	178.1	0	0	0	0	111.7	W55 R57 Y79 A80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.1Å; W55-V67 HydrophobicContact CB-CG1 4.48Å; W55-V67 VanDerWaalsContact O-CB 3.32Å; W55-V67 WeakPolarHBondContact O-CB 3.45Å; W55-V67 PolarHBondContact O-N 2.94Å; R57-V67 HydrophobicContact CB-CG2 3.73Å; R57-V67 HydrophobicContact CG-CG2 3.57Å; V67-Y79 WeakPolarHBondContact O-CA 3.45Å; V67-A80 PolarHBondContact O-N 3.11Å; V67-V83 HydrophobicContact CG1-CG1 4.46Å; V67-V83 HydrophobicContact CG1-CG2 3.93Å; V67-F87 HydrophobicContact CG1-CD2 3.83Å; V67-F87 HydrophobicContact CG1-CE2 4.23Å; V67-L100 HydrophobicContact CG1-CD2 4.18Å; V67-Y113 HydrophobicContact CG1-CE1 4.43Å; V67-Y113 HydrophobicContact CG2-CE1 4.13Å
68	S	98.6	Very high	97.8	Very high	0 Å²	0	65 Å²	65	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	167.7	-176.5	61.5	0	0	0	0	111.9	S54 W55 W66 N78 L100	S54-S68 CarbonylContact C-O 3.56Å; S54-S68 WeakPolarHBondContact CA-O 3.39Å; S54-S68 WeakPolarHBondContact CB-O 3.38Å; W55-S68 PolarHBondContact N-O 3.06Å; W55-S68 PolarHBondContact O-N 3.41Å; W66-S68 VanDerWaalsContact CZ2-C 3.47Å; W66-S68 PolarHBondContact NE1-O 2.78Å; S68-N78 CarbonylContact C-O 3.47Å; S68-N78 WeakPolarHBondContact CA-O 3.39Å; S68-N78 WeakPolarHBondContact CB-O 3.36Å; S68-L100 WeakPolarHBondContact OG-CD1 3.14Å
69	Y	98	Very high	97.8	Very high	53 Å²	53	63.3 Å²	63.3	21%	0.208	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.5	-179.1	170.8	-97.9	0	0	0	111.5	Y52 M53 S54 Y76 T77 N78 I89	Y52-Y69 AromaticContact CD1-CE1 3.59Å; Y52-Y69 HydrophobicContact CD1-CE1 3.59Å; Y52-Y69 AromaticContact CD1-CE2 3.65Å; Y52-Y69 HydrophobicContact CD1-CE2 3.65Å; Y52-Y69 AromaticContact CD1-CZ 3Å; Y52-Y69 WeakPolarHBondContact CD1-OH 3.23Å; Y52-Y69 HydrophobicContact CE1-CE1 4.03Å; Y52-Y69 AromaticContact CE1-CZ 3.65Å; Y52-Y69 WeakPolarHBondContact CE1-OH 3.32Å; Y52-Y69 HydrophobicContact CG-CE1 4.44Å; Y52-Y69 AromaticContact CG-CE2 3.68Å; Y52-Y69 HydrophobicContact CG-CE2 3.68Å; Y52-Y69 AromaticContact CG-CZ 3.49Å; Y52-Y69 VanDerWaalsContact CG-CZ 3.49Å; M53-Y69 CarbonylContact O-C 3.57Å; M53-Y69 WeakPolarHBondContact O-CA 3.38Å; S54-Y69 WeakPolarHBondContact OG-CD2 3.48Å; Y69-Y76 AromaticContact CD1-CD1 3.79Å; Y69-Y76 HydrophobicContact CD1-CD1 3.79Å; Y69-Y76 AromaticContact CD1-CE1 3.88Å; Y69-Y76 HydrophobicContact CD1-CE1 3.88Å; Y69-Y76 AromaticContact CE1-CD1 3.64Å; Y69-Y76 HydrophobicContact CE1-CD1 3.64Å; Y69-Y76 AromaticContact CE1-CE1 3.89Å; Y69-Y76 HydrophobicContact CE1-CE1 3.89Å; Y69-T77 WeakPolarHBondContact O-CA 3.4Å; Y69-N78 PolarHBondContact N-O 3.27Å; Y69-N78 PolarHBondContact O-N 2.96Å; Y69-I89 WeakPolarHBondContact O-CG2 3.32Å
70	I	98.7	Very high	97.8	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.6	173.5	-170.3	160.9	0	0	0	111.2	Y52 M53 T77 I89 R91	Y52-I70 WeakPolarHBondContact CA-O 3.38Å; M53-I70 HydrophobicContact CB-CG2 3.96Å; M53-I70 PolarHBondContact N-O 2.84Å; M53-I70 PolarHBondContact O-N 2.96Å; I70-T77 HydrophobicContact CB-CG2 4.18Å; I70-T77 HydrophobicContact CD1-CG2 4.01Å; I70-T77 HydrophobicContact CG1-CG2 3.84Å; I70-I89 HydrophobicContact CB-CD1 3.78Å; I70-I89 HydrophobicContact CB-CG1 4.05Å; I70-I89 HydrophobicContact CB-CG2 4.05Å; I70-I89 HydrophobicContact CG2-CD1 3.5Å; I70-I89 HydrophobicContact CG2-CG1 3.89Å; I70-R91 HydrophobicContact CD1-CB 4.2Å; I70-R91 HydrophobicContact CD1-CG 3.73Å; I70-R91 HydrophobicContact CG1-CG 4.34Å
71	S	98.2	Very high	97.9	Very high	5 Å²	5	64.6 Å²	64.6	4%	0.035	38%	0.377	C	S	.	.			trans	-80.5	160.2	177	48.1	0	0	0	0	115	Y52 D73 S74 G75 Y76 R91	Y52-S71 VanDerWaalsContact CE1-CB 3.49Å; S71-D73 VanDerWaalsContact C-N 3.27Å; S71-D73 PolarHBondContact O-N 3.15Å; S71-D73 PolarHBondContact OG-OD1 3.42Å; S71-S74 PolarHBondContact O-N 2.83Å; S71-G75 PolarHBondContact OG-N 2.97Å; S71-Y76 PolarHBondContact N-O 2.93Å; S71-Y76 WeakPolarHBondContact OG-CA 3.49Å; S71-Y76 PolarHBondContact OG-N 3.07Å; S71-Y76 PolarHBondContact OG-O 3.07Å; S71-R91 VanDerWaalsContact O-CD 3.25Å; S71-R91 WeakPolarHBondContact O-CD 3.31Å; S71-R91 PolarHBondContact O-NH1 2.79Å
72	G	97.7	Very high	97.9	Very high	13 Å²	13	62.5 Å²	62.5	13%	0.134	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-51.7	177.8	0	0	0	0	0	113.9	S49 R91 N93	S49-G72 CarbonylContact O-C 3.55Å; S49-G72 WeakPolarHBondContact O-CA 3.5Å; G72-R91 PolarHBondContact O-NE 3.38Å; G72-R91 PolarHBondContact O-NH1 2.79Å; G72-N93 PolarHBondContact O-ND2 2.96Å; G72-N93 VanDerWaalsContact O-ND2 3.13Å
73	D	96.1	Very high	97.9	Very high	129 Å²	129	55.5 Å²	55.5	69%	0.69	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	0.4	-179.4	61.9	-2.6	0	0	0	113.6	S71 G75	S71-D73 VanDerWaalsContact C-N 3.27Å; S71-D73 PolarHBondContact O-N 3.15Å; S71-D73 PolarHBondContact OG-OD1 3.42Å; D73-G75 PolarHBondContact O-N 2.92Å; D73-G75 PolarHBondContact OD1-N 3.34Å
74	S	97.4	Very high	98	Very high	54 Å²	54	58.9 Å²	58.9	38%	0.378	32%	0.316	S	S	.	.	S	Bend	trans	62.8	11.6	-172.1	-42	0	0	0	0	115.2	S71 Y76 R91	S71-S74 PolarHBondContact O-N 2.83Å; S74-Y76 VanDerWaalsContact C-N 3.3Å; S74-Y76 PolarHBondContact O-N 3.2Å; S74-R91 VanDerWaalsContact OG-CD 3.23Å; S74-R91 WeakPolarHBondContact OG-CD 2.98Å; S74-R91 WeakPolarHBondContact OG-CG 3.3Å
75	G	97.4	Very high	98	Very high	70 Å²	70	57.1 Å²	57.1	72%	0.722	33%	0.325	S	S	*	.			trans	-73.5	-21.3	-176.4	0	0	0	0	0	114.1	S71 D73	S71-G75 PolarHBondContact OG-N 2.97Å; D73-G75 PolarHBondContact O-N 2.92Å; D73-G75 PolarHBondContact OD1-N 3.34Å
76	Y	97.9	Very high	98	Very high	129 Å²	129	54.8 Å²	54.8	51%	0.506	31%	0.314	S	S	.	.			trans	-129.6	131.1	178	-177.6	-91.8	0	0	0	111.4	Y69 S71 S74 N78	Y69-Y76 AromaticContact CD1-CD1 3.79Å; Y69-Y76 HydrophobicContact CD1-CD1 3.79Å; Y69-Y76 AromaticContact CD1-CE1 3.88Å; Y69-Y76 HydrophobicContact CD1-CE1 3.88Å; Y69-Y76 AromaticContact CE1-CD1 3.64Å; Y69-Y76 HydrophobicContact CE1-CD1 3.64Å; Y69-Y76 AromaticContact CE1-CE1 3.89Å; Y69-Y76 HydrophobicContact CE1-CE1 3.89Å; S71-Y76 PolarHBondContact N-O 2.93Å; S71-Y76 WeakPolarHBondContact OG-CA 3.49Å; S71-Y76 PolarHBondContact OG-N 3.07Å; S71-Y76 PolarHBondContact OG-O 3.07Å; S74-Y76 VanDerWaalsContact C-N 3.3Å; S74-Y76 PolarHBondContact O-N 3.2Å; Y76-N78 HydrophobicContact CE1-CB 4.02Å
77	T	98.6	Very high	98	Very high	57 Å²	57	50.3 Å²	50.3	35%	0.35	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.5	171	60.3	0	0	0	0	110.6	Y69 I70 I89	Y69-T77 WeakPolarHBondContact O-CA 3.4Å; I70-T77 HydrophobicContact CB-CG2 4.18Å; I70-T77 HydrophobicContact CD1-CG2 4.01Å; I70-T77 HydrophobicContact CG1-CG2 3.84Å; T77-I89 HydrophobicContact CG2-CG2 3.91Å
78	N	98.4	Very high	98	Very high	63 Å²	63	53.6 Å²	53.6	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	159.4	171.8	-158.9	2.3	0	0	0	110.8	W66 S68 Y69 Y76	W66-N78 HydrophobicContact CH2-CB 3.89Å; W66-N78 HydrophobicContact CZ2-CB 4.27Å; S68-N78 CarbonylContact C-O 3.47Å; S68-N78 WeakPolarHBondContact CA-O 3.39Å; S68-N78 WeakPolarHBondContact CB-O 3.36Å; Y69-N78 PolarHBondContact N-O 3.27Å; Y69-N78 PolarHBondContact O-N 2.96Å; Y76-N78 HydrophobicContact CE1-CB 4.02Å
79	Y	98.7	Very high	98	Very high	39 Å²	39	53.9 Å²	53.9	15%	0.153	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.4	-174.6	-59.2	-87.6	0	0	0	110.9	V67 F87 I89	V67-Y79 WeakPolarHBondContact O-CA 3.45Å; Y79-F87 WeakPolarHBondContact CE1-O 2.9Å; Y79-I89 HydrophobicContact CE1-CB 4.3Å; Y79-I89 HydrophobicContact CE1-CG2 3.92Å; Y79-I89 PolarHBondContact OH-N 2.88Å
80	A	98.3	Very high	98	Very high	13 Å²	13	53.4 Å²	53.4	11%	0.107	32%	0.323	C	S	.	.			trans	-67.2	144.7	169.2	0	0	0	0	0	110.3	W66 V67 S82 V83 K84	W66-A80 HydrophobicContact CE3-CB 3.86Å; W66-A80 HydrophobicContact CZ3-CB 3.98Å; W66-A80 VanDerWaalsContact O-CB 3.23Å; W66-A80 WeakPolarHBondContact O-CB 3.49Å; V67-A80 PolarHBondContact O-N 3.11Å; A80-S82 PolarHBondContact O-N 2.81Å; A80-S82 VanDerWaalsContact O-N 3.12Å; A80-V83 HydrophobicContact CB-CG2 4.25Å; A80-V83 WeakPolarHBondContact O-CG2 3.23Å; A80-V83 PolarHBondContact O-N 2.85Å; A80-K84 PolarHBondContact O-N 2.89Å
81	D	98	Very high	98	Very high	141 Å²	141	54.4 Å²	54.4	75%	0.754	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	-177.2	-68.6	-31.5	0	0	0	112.5	V83	D81-V83 PolarHBondContact O-N 3.24Å
82	S	96.9	Very high	97.9	Very high	49 Å²	49	56.6 Å²	56.6	34%	0.343	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.1	178.4	59.2	0	0	0	0	114.1	R57 E65 A80 R86	R57-S82 PolarHBondContact NH2-OG 2.94Å; E65-S82 PolarHBondContact OE1-OG 2.77Å; A80-S82 PolarHBondContact O-N 2.81Å; A80-S82 VanDerWaalsContact O-N 3.12Å; S82-R86 PolarHBondContact O-NH2 3.04Å
83	V	98	Very high	97.9	Very high	0 Å²	0	59 Å²	59	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-8.4	-175.4	-58.7	0	0	0	0	113.8	V67 A80 D81 G85 R86 F87	V67-V83 HydrophobicContact CG1-CG1 4.46Å; V67-V83 HydrophobicContact CG1-CG2 3.93Å; A80-V83 HydrophobicContact CB-CG2 4.25Å; A80-V83 WeakPolarHBondContact O-CG2 3.23Å; A80-V83 PolarHBondContact O-N 2.85Å; D81-V83 PolarHBondContact O-N 3.24Å; V83-G85 PolarHBondContact O-N 3.03Å; V83-R86 PolarHBondContact O-N 3.35Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.28Å; V83-F87 HydrophobicContact CB-CD2 3.58Å; V83-F87 HydrophobicContact CB-CE2 3.98Å; V83-F87 HydrophobicContact CB-CG 3.74Å; V83-F87 HydrophobicContact CB-CZ 4.47Å; V83-F87 HydrophobicContact CG1-CD2 3.64Å; V83-F87 HydrophobicContact CG1-CE1 4.49Å; V83-F87 HydrophobicContact CG1-CE2 3.5Å; V83-F87 HydrophobicContact CG1-CG 4.21Å; V83-F87 HydrophobicContact CG1-CZ 3.95Å; V83-F87 HydrophobicContact CG2-CB 4.31Å; V83-F87 HydrophobicContact CG2-CD2 4.02Å; V83-F87 HydrophobicContact CG2-CG 4.33Å; V83-F87 PolarHBondContact O-N 3.13Å
84	K	97.6	Very high	97.9	Very high	129 Å²	129	57 Å²	57	56%	0.561	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.3	-178.2	-168.6	171.5	-175.2	173.2	0	110.9	A80 R86	A80-K84 PolarHBondContact O-N 2.89Å; K84-R86 VanDerWaalsContact C-N 3.28Å; K84-R86 PolarHBondContact O-N 3.12Å
85	G	97.8	Very high	97.9	Very high	80 Å²	80	59.3 Å²	59.3	83%	0.825	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-7.4	-176.9	0	0	0	0	0	115.3	V83	V83-G85 PolarHBondContact O-N 3.03Å
86	R	98.2	Very high	97.9	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.098	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-38.4	174.2	-60.9	-171.3	-58.7	111	-2.1	112.3	S82 V83 K84 N103 S104 D109	S82-R86 PolarHBondContact O-NH2 3.04Å; V83-R86 PolarHBondContact O-N 3.35Å; K84-R86 VanDerWaalsContact C-N 3.28Å; K84-R86 PolarHBondContact O-N 3.12Å; R86-N103 WeakPolarHBondContact O-CB 3.36Å; R86-N103 PolarHBondContact O-N 2.94Å; R86-N103 PolarHBondContact O-ND2 2.79Å; R86-S104 PolarHBondContact NH1-O 3.07Å; R86-S104 VanDerWaalsContact NH1-O 3.13Å; R86-D109 IonicContact CZ-OD1 3.15Å; R86-D109 IonicContact CZ-OD2 3.28Å; R86-D109 IonicContact NH1-OD1 3.36Å; R86-D109 IonicContact NH1-OD2 2.84Å; R86-D109 PolarHBondContact NH1-OD2 2.77Å; R86-D109 IonicContact NH2-OD1 2.83Å; R86-D109 PolarHBondContact NH2-OD1 2.98Å; R86-D109 IonicContact NH2-OD2 3.98Å; R86-D109 PolarHBondContact NH2-OD2 3.26Å
87	F	98.4	Very high	97.9	Very high	3 Å²	3	53 Å²	53	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152.1	-179.7	-66.9	10.1	0	0	0	110.7	V67 Y79 V83 L100 Q101 M102 L105 D109 Y113	V67-F87 HydrophobicContact CG1-CD2 3.83Å; V67-F87 HydrophobicContact CG1-CE2 4.23Å; Y79-F87 WeakPolarHBondContact CE1-O 2.9Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.28Å; V83-F87 HydrophobicContact CB-CD2 3.58Å; V83-F87 HydrophobicContact CB-CE2 3.98Å; V83-F87 HydrophobicContact CB-CG 3.74Å; V83-F87 HydrophobicContact CB-CZ 4.47Å; V83-F87 HydrophobicContact CG1-CD2 3.64Å; V83-F87 HydrophobicContact CG1-CE1 4.49Å; V83-F87 HydrophobicContact CG1-CE2 3.5Å; V83-F87 HydrophobicContact CG1-CG 4.21Å; V83-F87 HydrophobicContact CG1-CZ 3.95Å; V83-F87 HydrophobicContact CG2-CB 4.31Å; V83-F87 HydrophobicContact CG2-CD2 4.02Å; V83-F87 HydrophobicContact CG2-CG 4.33Å; V83-F87 PolarHBondContact O-N 3.13Å; F87-L100 HydrophobicContact CB-CD1 4.25Å; F87-L100 HydrophobicContact CD2-CD1 4.47Å; F87-L100 HydrophobicContact CD2-CD2 4.1Å; F87-L100 HydrophobicContact CD2-CG 4.43Å; F87-Q101 CarbonylContact C-O 3.58Å; F87-Q101 VanDerWaalsContact CA-O 3.24Å; F87-Q101 WeakPolarHBondContact CA-O 3.19Å; F87-M102 HydrophobicContact CD1-CB 3.78Å; F87-M102 HydrophobicContact CD1-CG 3.96Å; F87-M102 HydrophobicContact CD2-CG 3.9Å; F87-M102 HydrophobicContact CD2-SD 4.31Å; F87-M102 HydrophobicContact CE1-CB 3.65Å; F87-M102 HydrophobicContact CE1-CG 3.93Å; F87-M102 HydrophobicContact CE1-SD 4.45Å; F87-M102 HydrophobicContact CE2-CB 4.47Å; F87-M102 HydrophobicContact CE2-CG 3.85Å; F87-M102 HydrophobicContact CE2-SD 3.75Å; F87-M102 HydrophobicContact CG-CB 4.3Å; F87-M102 HydrophobicContact CG-CG 3.97Å; F87-M102 HydrophobicContact CZ-CB 4.02Å; F87-M102 HydrophobicContact CZ-CG 3.88Å; F87-M102 HydrophobicContact CZ-SD 3.84Å; F87-L105 HydrophobicContact CE1-CD2 3.78Å; F87-L105 HydrophobicContact CZ-CD2 3.72Å; F87-D109 HydrophobicContact CZ-CB 4.18Å; F87-Y113 HydrophobicContact CE2-CE1 4.13Å
88	T	98.6	Very high	97.8	Very high	68 Å²	68	50.2 Å²	50.2	42%	0.417	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	117.4	178.3	-53.9	0	0	0	0	109.4	Q101	T88-Q101 PolarHBondContact N-O 3.47Å; T88-Q101 PolarHBondContact O-N 2.75Å
89	I	98.7	Very high	97.8	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.2	172.8	-168.4	173.6	0	0	0	108.7	Y69 I70 T77 Y79 Y99 L100	Y69-I89 WeakPolarHBondContact O-CG2 3.32Å; I70-I89 HydrophobicContact CB-CD1 3.78Å; I70-I89 HydrophobicContact CB-CG1 4.05Å; I70-I89 HydrophobicContact CB-CG2 4.05Å; I70-I89 HydrophobicContact CG2-CD1 3.5Å; I70-I89 HydrophobicContact CG2-CG1 3.89Å; T77-I89 HydrophobicContact CG2-CG2 3.91Å; Y79-I89 HydrophobicContact CE1-CB 4.3Å; Y79-I89 HydrophobicContact CE1-CG2 3.92Å; Y79-I89 PolarHBondContact OH-N 2.88Å; I89-Y99 WeakPolarHBondContact CA-O 3.33Å; I89-L100 HydrophobicContact CB-CD1 4.29Å
90	S	98.5	Very high	97.9	Very high	43 Å²	43	47.3 Å²	47.3	30%	0.301	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	168.2	174.3	56.2	0	0	0	0	109.4	P98 Y99	S90-P98 CarbonylContact O-C 3.55Å; S90-P98 WeakPolarHBondContact O-CA 3.38Å; S90-Y99 PolarHBondContact N-O 2.92Å; S90-Y99 PolarHBondContact O-N 3.01Å
91	R	98.2	Very high	97.9	Very high	26 Å²	26	49.4 Å²	49.4	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.2	177.7	64.3	-175.7	-70.6	160.7	5.4	111.3	F48 H51 I70 S71 G72 S74 N93 S97	F48-R91 HydrophobicContact CE1-CB 4.28Å; F48-R91 HydrophobicContact CZ-CB 4.21Å; F48-R91 PolarHBondContact O-NH2 2.94Å; H51-R91 PolarHBondContact O-NH1 2.86Å; I70-R91 HydrophobicContact CD1-CB 4.2Å; I70-R91 HydrophobicContact CD1-CG 3.73Å; I70-R91 HydrophobicContact CG1-CG 4.34Å; S71-R91 VanDerWaalsContact O-CD 3.25Å; S71-R91 WeakPolarHBondContact O-CD 3.31Å; S71-R91 PolarHBondContact O-NH1 2.79Å; G72-R91 PolarHBondContact O-NE 3.38Å; G72-R91 PolarHBondContact O-NH1 2.79Å; S74-R91 VanDerWaalsContact OG-CD 3.23Å; S74-R91 WeakPolarHBondContact OG-CD 2.98Å; S74-R91 WeakPolarHBondContact OG-CG 3.3Å; R91-N93 PolarHBondContact NE-OD1 2Å; R91-N93 PolarHBondContact NH2-OD1 3.15Å; R91-S97 CarbonylContact C-O 3.53Å; R91-S97 WeakPolarHBondContact CA-O 3.24Å
92	D	97.6	Very high	97.9	Very high	50 Å²	50	42.9 Å²	42.9	27%	0.267	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.6	170.2	-176.8	-12.9	0	0	0	108.6	A94 N95 N96 S97 Y99	D92-A94 VanDerWaalsContact C-N 3.32Å; D92-A94 WeakPolarHBondContact OD1-CB 3.39Å; D92-A94 PolarHBondContact OD1-N 2.95Å; D92-N95 HydrophobicContact CB-CB 4.37Å; D92-N95 PolarHBondContact O-N 2.9Å; D92-N95 PolarHBondContact OD1-N 3.17Å; D92-N95 PolarHBondContact OD2-ND2 2.86Å; D92-N96 PolarHBondContact O-N 2.91Å; D92-S97 PolarHBondContact N-O 2.82Å; D92-S97 PolarHBondContact O-N 3.24Å; D92-Y99 HydrophobicContact CB-CE2 3.82Å
93	N	97.2	Very high	97.9	Very high	64 Å²	64	43 Å²	43	34%	0.342	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.4	180	-78.1	-15.4	0	0	0	113.3	F48 G72 R91 N96	F48-N93 WeakPolarHBondContact CD1-OD1 3.35Å; F48-N93 VanDerWaalsContact CE1-OD1 3.24Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.05Å; G72-N93 PolarHBondContact O-ND2 2.96Å; G72-N93 VanDerWaalsContact O-ND2 3.13Å; R91-N93 PolarHBondContact NE-OD1 2Å; R91-N93 PolarHBondContact NH2-OD1 3.15Å; N93-N96 PolarHBondContact O-OD1 3.45Å
94	A	96.5	Very high	97.9	Very high	88 Å²	88	46.3 Å²	46.3	73%	0.727	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-32.9	175.7	0	0	0	0	0	111.2	D92	D92-A94 VanDerWaalsContact C-N 3.32Å; D92-A94 WeakPolarHBondContact OD1-CB 3.39Å; D92-A94 PolarHBondContact OD1-N 2.95Å
95	N	96.4	Very high	98	Very high	102 Å²	102	40.8 Å²	40.8	55%	0.545	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11.7	-179.7	-68.4	-57.6	0	0	0	114	D92 S97	D92-N95 HydrophobicContact CB-CB 4.37Å; D92-N95 PolarHBondContact O-N 2.9Å; D92-N95 PolarHBondContact OD1-N 3.17Å; D92-N95 PolarHBondContact OD2-ND2 2.86Å; N95-S97 PolarHBondContact O-N 2.84Å; N95-S97 VanDerWaalsContact O-N 3.13Å; N95-S97 PolarHBondContact O-OG 3.14Å
96	N	97.1	Very high	97.9	Very high	60 Å²	60	43.3 Å²	43.3	32%	0.321	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	42.2	-178.5	-60.7	-28.3	0	0	0	114	A43 F48 D92 N93	A43-N96 HydrophobicContact CB-CB 4.48Å; A43-N96 VanDerWaalsContact CB-O 3.3Å; A43-N96 WeakPolarHBondContact CB-O 3.41Å; A43-N96 PolarHBondContact N-O 2.93Å; A43-N96 VanDerWaalsContact O-CB 3.24Å; A43-N96 WeakPolarHBondContact O-CB 3.29Å; F48-N96 HydrophobicContact CB-CB 3.9Å; F48-N96 WeakPolarHBondContact CB-OD1 3.41Å; F48-N96 HydrophobicContact CD1-CB 4.27Å; F48-N96 HydrophobicContact CG-CB 4Å; D92-N96 PolarHBondContact O-N 2.91Å; N93-N96 PolarHBondContact O-OD1 3.45Å
97	S	97.7	Very high	97.8	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.2	-168.6	-67.6	0	0	0	0	111.4	P42 R91 D92 N95 Y99	P42-S97 WeakPolarHBondContact CA-OG 3.49Å; R91-S97 CarbonylContact C-O 3.53Å; R91-S97 WeakPolarHBondContact CA-O 3.24Å; D92-S97 PolarHBondContact N-O 2.82Å; D92-S97 PolarHBondContact O-N 3.24Å; N95-S97 PolarHBondContact O-N 2.84Å; N95-S97 VanDerWaalsContact O-N 3.13Å; N95-S97 PolarHBondContact O-OG 3.14Å; S97-Y99 WeakPolarHBondContact CB-OH 3.25Å; S97-Y99 WeakPolarHBondContact O-CE2 3.23Å
98	P	98	Very high	97.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.2	160.1	31	-18.1	0	0	0	110.1	C41 F48 M53 S90	C41-P98 HydrophobicContact CB-CG 4.15Å; C41-P98 PolarHBondContact N-O 3.12Å; C41-P98 VanDerWaalsContact N-O 3.11Å; C41-P98 WeakPolarHBondContact O-CD 3.19Å; F48-P98 HydrophobicContact CE2-CG 4.1Å; F48-P98 HydrophobicContact CZ-CB 4.3Å; F48-P98 HydrophobicContact CZ-CG 4.23Å; M53-P98 HydrophobicContact CB-CB 4.03Å; M53-P98 HydrophobicContact CB-CG 4.16Å; M53-P98 HydrophobicContact CE-CG 4.01Å; M53-P98 HydrophobicContact CG-CB 4.14Å; M53-P98 HydrophobicContact CG-CG 4.01Å; S90-P98 CarbonylContact O-C 3.55Å; S90-P98 WeakPolarHBondContact O-CA 3.38Å
99	Y	98.6	Very high	97.7	Very high	40 Å²	40	49.4 Å²	49.4	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147	178	-57.5	-87	0	0	0	110.2	R38 L39 S40 I89 S90 D92 S97	R38-Y99 VanDerWaalsContact NH2-CG 3.34Å; L39-Y99 VanDerWaalsContact O-CA 3.23Å; L39-Y99 WeakPolarHBondContact O-CA 3.24Å; S40-Y99 VanDerWaalsContact CB-CD1 3.45Å; S40-Y99 VanDerWaalsContact CB-CE1 3.44Å; I89-Y99 WeakPolarHBondContact CA-O 3.33Å; S90-Y99 PolarHBondContact N-O 2.92Å; S90-Y99 PolarHBondContact O-N 3.01Å; D92-Y99 HydrophobicContact CB-CE2 3.82Å; S97-Y99 WeakPolarHBondContact CB-OH 3.25Å; S97-Y99 WeakPolarHBondContact O-CE2 3.23Å
100	L	98.8	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.4	169.2	-169.8	67	0	0	0	108.8	R38 L39 W55 V67 S68 F87 I89 M102 Y113	R38-L100 WeakPolarHBondContact CA-O 3.33Å; L39-L100 HydrophobicContact CB-CB 4.23Å; L39-L100 HydrophobicContact CD1-CD2 4.34Å; L39-L100 PolarHBondContact N-O 2.74Å; L39-L100 PolarHBondContact O-N 3.42Å; W55-L100 HydrophobicContact CB-CD2 4.14Å; W55-L100 HydrophobicContact CD2-CB 4.03Å; W55-L100 HydrophobicContact CD2-CD2 4.15Å; W55-L100 HydrophobicContact CG-CB 4.15Å; W55-L100 HydrophobicContact CG-CD1 4.35Å; W55-L100 HydrophobicContact CG-CD2 3.94Å; W55-L100 HydrophobicContact CG-CG 4.38Å; W55-L100 HydrophobicContact CZ2-CB 4.2Å; V67-L100 HydrophobicContact CG1-CD2 4.18Å; S68-L100 WeakPolarHBondContact OG-CD1 3.14Å; F87-L100 HydrophobicContact CB-CD1 4.25Å; F87-L100 HydrophobicContact CD2-CD1 4.47Å; F87-L100 HydrophobicContact CD2-CD2 4.1Å; F87-L100 HydrophobicContact CD2-CG 4.43Å; I89-L100 HydrophobicContact CB-CD1 4.29Å; L100-M102 HydrophobicContact CD2-CG 3.93Å; L100-M102 HydrophobicContact CD2-SD 3.87Å; L100-M102 HydrophobicContact CG-CG 3.84Å; L100-M102 HydrophobicContact CG-SD 4.41Å; L100-Y113 HydrophobicContact CD2-CD1 3.99Å; L100-Y113 HydrophobicContact CD2-CE1 4.06Å
101	Q	98.6	Very high	97.6	Very high	57 Å²	57	53 Å²	53	27%	0.266	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.9	168.5	-179.7	62.9	37.8	0	0	108.1	F87 T88 N103	F87-Q101 CarbonylContact C-O 3.58Å; F87-Q101 VanDerWaalsContact CA-O 3.24Å; F87-Q101 WeakPolarHBondContact CA-O 3.19Å; T88-Q101 PolarHBondContact N-O 3.47Å; T88-Q101 PolarHBondContact O-N 2.75Å; Q101-N103 PolarHBondContact NE2-OD1 3.13Å
102	M	98.5	Very high	97.6	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.8	-179.3	-59	-175	-60.4	0	0	108.6	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.55Å; S36-M102 WeakPolarHBondContact CA-O 3.4Å; S36-M102 WeakPolarHBondContact CB-O 3.42Å; L37-M102 HydrophobicContact CB-CE 3.55Å; L37-M102 HydrophobicContact CD1-CE 4.01Å; L37-M102 HydrophobicContact CG-CE 4.42Å; L37-M102 PolarHBondContact N-O 3.34Å; L37-M102 PolarHBondContact O-N 3.11Å; L39-M102 HydrophobicContact CD1-CE 3.88Å; L39-M102 HydrophobicContact CD1-SD 4.13Å; L39-M102 HydrophobicContact CD2-CE 3.88Å; L39-M102 HydrophobicContact CG-CE 3.66Å; L39-M102 HydrophobicContact CG-SD 4.35Å; F87-M102 HydrophobicContact CD1-CB 3.78Å; F87-M102 HydrophobicContact CD1-CG 3.96Å; F87-M102 HydrophobicContact CD2-CG 3.9Å; F87-M102 HydrophobicContact CD2-SD 4.31Å; F87-M102 HydrophobicContact CE1-CB 3.65Å; F87-M102 HydrophobicContact CE1-CG 3.93Å; F87-M102 HydrophobicContact CE1-SD 4.45Å; F87-M102 HydrophobicContact CE2-CB 4.47Å; F87-M102 HydrophobicContact CE2-CG 3.85Å; F87-M102 HydrophobicContact CE2-SD 3.75Å; F87-M102 HydrophobicContact CG-CB 4.3Å; F87-M102 HydrophobicContact CG-CG 3.97Å; F87-M102 HydrophobicContact CZ-CB 4.02Å; F87-M102 HydrophobicContact CZ-CG 3.88Å; F87-M102 HydrophobicContact CZ-SD 3.84Å; L100-M102 HydrophobicContact CD2-CG 3.93Å; L100-M102 HydrophobicContact CD2-SD 3.87Å; L100-M102 HydrophobicContact CG-CG 3.84Å; L100-M102 HydrophobicContact CG-SD 4.41Å; M102-L105 HydrophobicContact CB-CD1 4.13Å; M102-L105 HydrophobicContact CB-CD2 3.93Å; M102-L105 HydrophobicContact CB-CG 4.11Å; M102-L105 HydrophobicContact CE-CD1 4.4Å; M102-L105 HydrophobicContact CE-CD2 4.49Å; M102-L105 HydrophobicContact SD-CD2 4.32Å; M102-Y113 HydrophobicContact SD-CE1 3.99Å
103	N	98.2	Very high	97.6	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.283	31%	0.308	S	S	.	.			trans	-110.5	158.9	177.6	-51	-58.3	0	0	0	110.5	S36 R86 Q101 L105	S36-N103 PolarHBondContact OG-OD1 2.87Å; R86-N103 WeakPolarHBondContact O-CB 3.36Å; R86-N103 PolarHBondContact O-N 2.94Å; R86-N103 PolarHBondContact O-ND2 2.79Å; Q101-N103 PolarHBondContact NE2-OD1 3.13Å; N103-L105 VanDerWaalsContact C-N 3.27Å; N103-L105 PolarHBondContact O-N 3.3Å
104	S	97.8	Very high	97.7	Very high	68 Å²	68	55.5 Å²	55.5	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	50.7	48.3	176.1	-55.6	0	0	0	0	112.2	G35 R86	G35-S104 PolarHBondContact O-N 2.94Å; R86-S104 PolarHBondContact NH1-O 3.07Å; R86-S104 VanDerWaalsContact NH1-O 3.13Å
105	L	98.1	Very high	97.8	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.068	28%	0.276	C	S	.	.			trans	-62.8	136.5	-176.2	-81.1	164.1	0	0	0	111.4	V31 G34 G35 L37 F87 M102 N103 D109	V31-L105 HydrophobicContact CG2-CB 4.41Å; V31-L105 HydrophobicContact CG2-CD1 3.69Å; G34-L105 PolarHBondContact N-O 2.8Å; G35-L105 PolarHBondContact O-N 2.69Å; L37-L105 HydrophobicContact CB-CD1 3.97Å; L37-L105 HydrophobicContact CD1-CD1 3.99Å; L37-L105 HydrophobicContact CG-CD1 3.9Å; F87-L105 HydrophobicContact CE1-CD2 3.78Å; F87-L105 HydrophobicContact CZ-CD2 3.72Å; M102-L105 HydrophobicContact CB-CD1 4.13Å; M102-L105 HydrophobicContact CB-CD2 3.93Å; M102-L105 HydrophobicContact CB-CG 4.11Å; M102-L105 HydrophobicContact CE-CD1 4.4Å; M102-L105 HydrophobicContact CE-CD2 4.49Å; M102-L105 HydrophobicContact SD-CD2 4.32Å; N103-L105 VanDerWaalsContact C-N 3.27Å; N103-L105 PolarHBondContact O-N 3.3Å; L105-D109 HydrophobicContact CD2-CB 3.67Å
106	R	97.2	Very high	97.7	Very high	133 Å²	133	51.7 Å²	51.7	50%	0.502	28%	0.28	S	S	.	.			trans	-109.8	163	178.5	-59.4	178.1	-177.3	172.8	0.1	109.9	E108 D109	R106-E108 PolarHBondContact O-N 3.43Å; R106-D109 PolarHBondContact N-OD2 3.02Å; R106-D109 WeakPolarHBondContact O-CB 3.35Å; R106-D109 PolarHBondContact O-N 3.25Å
107	A	96.1	Very high	97.8	Very high	78 Å²	78	51.3 Å²	51.3	65%	0.645	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-55.7	-35.7	174.5	0	0	0	0	0	112	D109 T110	A107-D109 PolarHBondContact O-N 2.84Å; A107-T110 VanDerWaalsContact O-CB 3.31Å; A107-T110 WeakPolarHBondContact O-CB 3.46Å; A107-T110 PolarHBondContact O-N 2.75Å; A107-T110 VanDerWaalsContact O-N 3.12Å; A107-T110 PolarHBondContact O-OG1 2.8Å
108	E	96	Very high	97.8	Very high	139 Å²	139	53.7 Å²	53.7	65%	0.65	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-61.9	-20.9	176.2	-61.9	144.6	-119	0	0	114.2	R106 T110	R106-E108 PolarHBondContact O-N 3.43Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 PolarHBondContact O-N 3.27Å
109	D	97.5	Very high	97.8	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.043	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-84.4	0.4	178	-59.1	-48.7	0	0	0	112.6	R57 R86 F87 L105 R106 A107 A111 Y113	R57-D109 IonicContact NH1-OD1 3.98Å; R57-D109 PolarHBondContact NH1-OD1 3.13Å; R86-D109 IonicContact CZ-OD1 3.15Å; R86-D109 IonicContact CZ-OD2 3.28Å; R86-D109 IonicContact NH1-OD1 3.36Å; R86-D109 IonicContact NH1-OD2 2.84Å; R86-D109 PolarHBondContact NH1-OD2 2.77Å; R86-D109 IonicContact NH2-OD1 2.83Å; R86-D109 PolarHBondContact NH2-OD1 2.98Å; R86-D109 IonicContact NH2-OD2 3.98Å; R86-D109 PolarHBondContact NH2-OD2 3.26Å; F87-D109 HydrophobicContact CZ-CB 4.18Å; L105-D109 HydrophobicContact CD2-CB 3.67Å; R106-D109 PolarHBondContact N-OD2 3.02Å; R106-D109 WeakPolarHBondContact O-CB 3.35Å; R106-D109 PolarHBondContact O-N 3.25Å; A107-D109 PolarHBondContact O-N 2.84Å; D109-A111 PolarHBondContact O-N 2.91Å; D109-A111 VanDerWaalsContact O-N 3.08Å; D109-Y113 WeakPolarHBondContact O-CE2 3.45Å; D109-Y113 PolarHBondContact O-OH 3.11Å; D109-Y113 VanDerWaalsContact O-OH 3.11Å
110	T	97.5	Very high	97.7	Very high	96 Å²	96	57.6 Å²	57.6	59%	0.589	32%	0.316	S	S	*	.			trans	-68.8	106.9	176.4	-53.3	0	0	0	0	110	P60 A107 E108	P60-T110 WeakPolarHBondContact CD-O 3.35Å; A107-T110 VanDerWaalsContact O-CB 3.31Å; A107-T110 WeakPolarHBondContact O-CB 3.46Å; A107-T110 PolarHBondContact O-N 2.75Å; A107-T110 VanDerWaalsContact O-N 3.12Å; A107-T110 PolarHBondContact O-OG1 2.8Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 PolarHBondContact O-N 3.27Å
111	A	98.1	Very high	97.6	Very high	28 Å²	28	61.3 Å²	61.3	23%	0.231	34%	0.335	C	S	.	.	S	Bend	trans	-157.8	165.1	-176.7	0	0	0	0	0	111	R57 Q58 A59 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.88Å; R57-A111 HydrophobicContact CG-CB 4.29Å; Q58-A111 WeakPolarHBondContact O-CA 3.2Å; Q58-A111 VanDerWaalsContact O-CB 3.32Å; Q58-A111 WeakPolarHBondContact O-CB 3.45Å; A59-A111 HydrophobicContact CB-CB 4.32Å; D109-A111 PolarHBondContact O-N 2.91Å; D109-A111 VanDerWaalsContact O-N 3.08Å; A111-Y113 HydrophobicContact CB-CD2 4.21Å; A111-Y113 HydrophobicContact CB-CE2 3.75Å; A111-Y113 WeakPolarHBondContact O-CD2 3.49Å
112	V	98	Very high	97.6	Very high	79 Å²	79	61.5 Å²	61.5	48%	0.479	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.8	159.2	-175.3	0	0	0	0	107.7	R57 Q58 Y114	R57-V112 CarbonylContact C-O 3.48Å; R57-V112 VanDerWaalsContact CA-O 3.23Å; R57-V112 WeakPolarHBondContact CA-O 3.37Å; Q58-V112 PolarHBondContact N-O 2.94Å; Q58-V112 PolarHBondContact O-N 3.19Å; V112-Y114 HydrophobicContact CB-CE2 4.14Å; V112-Y114 HydrophobicContact CG1-CD2 4.46Å; V112-Y114 HydrophobicContact CG1-CE1 3.96Å; V112-Y114 HydrophobicContact CG1-CE2 3.76Å; V112-Y114 VanDerWaalsContact CG1-CZ 3.48Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.47Å
113	Y	98.4	Very high	97.5	Very high	25 Å²	25	65.6 Å²	65.6	10%	0.098	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.2	179.9	-76.4	-105.8	0	0	0	109.3	L39 V56 R57 V67 F87 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.5Å; L39-Y113 HydrophobicContact CD1-CD1 3.97Å; L39-Y113 HydrophobicContact CD1-CD2 4.28Å; L39-Y113 HydrophobicContact CD1-CG 3.67Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.33Å; R57-Y113 HydrophobicContact CB-CD1 3.86Å; R57-Y113 HydrophobicContact CB-CD2 4.34Å; R57-Y113 HydrophobicContact CB-CE1 3.75Å; R57-Y113 HydrophobicContact CB-CE2 4.22Å; R57-Y113 HydrophobicContact CB-CG 4.15Å; R57-Y113 HydrophobicContact CG-CE1 4.49Å; V67-Y113 HydrophobicContact CG1-CE1 4.43Å; V67-Y113 HydrophobicContact CG2-CE1 4.13Å; F87-Y113 HydrophobicContact CE2-CE1 4.13Å; L100-Y113 HydrophobicContact CD2-CD1 3.99Å; L100-Y113 HydrophobicContact CD2-CE1 4.06Å; M102-Y113 HydrophobicContact SD-CE1 3.99Å; D109-Y113 WeakPolarHBondContact O-CE2 3.45Å; D109-Y113 PolarHBondContact O-OH 3.11Å; D109-Y113 VanDerWaalsContact O-OH 3.11Å; A111-Y113 HydrophobicContact CB-CD2 4.21Å; A111-Y113 HydrophobicContact CB-CE2 3.75Å; A111-Y113 WeakPolarHBondContact O-CD2 3.49Å
114	Y	98.4	Very high	97.5	Very high	90 Å²	90	66.6 Å²	66.6	35%	0.353	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.1	179.2	-58.6	-79.4	0	0	0	109.4	E25 W55 V56 Q58 L64 V112	E25-Y114 VanDerWaalsContact OE1-CA 3.29Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.41Å; W55-Y114 WeakPolarHBondContact CA-O 3.38Å; V56-Y114 PolarHBondContact N-O 3.25Å; V56-Y114 PolarHBondContact O-N 3.18Å; Q58-Y114 HydrophobicContact CB-CE2 4.19Å; L64-Y114 HydrophobicContact CD2-CD2 4.38Å; L64-Y114 HydrophobicContact CD2-CE2 4.39Å; V112-Y114 HydrophobicContact CB-CE2 4.14Å; V112-Y114 HydrophobicContact CG1-CD2 4.46Å; V112-Y114 HydrophobicContact CG1-CE1 3.96Å; V112-Y114 HydrophobicContact CG1-CE2 3.76Å; V112-Y114 VanDerWaalsContact CG1-CZ 3.48Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.47Å
115	C	98.1	Very high	97.4	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.027	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.3	163	49.7	0	0	0	0	109	L23 E25 C41 S54 W55	L23-C115 WeakPolarHBondContact CD1-O 2.97Å; E25-C115 VanDerWaalsContact CG-SG 3.55Å; E25-C115 PolarHBondContact OE1-N 2.83Å; E25-C115 PolarHBondContact OE1-SG 3Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.5Å; C41-C115 WeakPolarHBondContact SG-CB 3.2Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.12Å; S54-C115 WeakPolarHBondContact O-CA 3.43Å; W55-C115 HydrophobicContact CE3-CB 4.37Å; W55-C115 HydrophobicContact CH2-CB 4.19Å; W55-C115 HydrophobicContact CZ2-CB 4.34Å; W55-C115 HydrophobicContact CZ3-CB 4.2Å
116	V	96.1	Very high	97.4	Very high	105 Å²	105	71.4 Å²	71.4	64%	0.636	39%	0.387	S	S	*	.			trans	-136.9	0	179.3	-59.1	0	0	0	0	112	M53 S54 V56	M53-V116 CarbonylContact C-O 3.57Å; M53-V116 WeakPolarHBondContact CA-O 3.21Å; M53-V116 WeakPolarHBondContact CE-O 2.7Å; S54-V116 PolarHBondContact N-O 2.8Å; S54-V116 PolarHBondContact O-N 2.95Å; V56-V116 HydrophobicContact CG2-CG2 3.88Å

Retrieved 116 of 116 residues in 90.5 ms (Link to these results)

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