A0A075B5T3_MOUSE Loading...

Immunoglobulin heavy variable 6-6

AlphaFold DB , UniProt , Accession A0A075B5T3, Species MOUSE (Mus musculus, Mouse), Gene Ighv6-6, Length 119 aa.

						>A0A075B5T3_MOUSE|A0A075B5T3|Ighv6-6
MYLGLNCVFIVFLLKGVQSEVKLEESGGGLVQPGGSMKLSCAASGFTFSDAWMDWVRQSPEKGLEWVAEIRNKANNHATYYAESVKGRFTISRDDSKSSVYLQMNSLRAEDTGIYYCTR
					

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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	42.9	Very low	60.1	Low	244 Å²	244	148.2 Å²	148.2	100%	1.202	79%	0.791	S	S	*	*				0	120	0	-150.6	154.6	65.4	0	0	106.6
2	Y	43.5	Very low	60.6	Low	214 Å²	214	149.8 Å²	149.8	84%	0.839	79%	0.786	S	S	*	*			trans	-81.3	147.9	-152.1	-80.9	-87.9	0	0	0	115.5
3	L	49.1	Very low	61	Low	155 Å²	155	148.9 Å²	148.9	81%	0.812	78%	0.781	S	S	*	*			trans	51.3	118.9	138.3	-63.9	153.1	0	0	0	117.3
4	G	55.6	Low	61.2	Low	67 Å²	67	150.1 Å²	150.1	69%	0.691	79%	0.788	S	S	*	*				81.3	99.5	53.2	0	0	0	0	0	109.7
5	L	65	Low	61.2	Low	166 Å²	166	151.9 Å²	151.9	87%	0.869	79%	0.786	S	S	*	*			trans	-139.7	95.6	169.7	-147.9	76.1	0	0	0	110.4
6	N	57.7	Low	61.2	Low	158 Å²	158	146.6 Å²	146.6	85%	0.845	78%	0.78	S	S	*	*			trans	-78.2	121.5	162.3	-99.5	-63.2	0	0	0	107.9	V8	N6-V8 PolarHBondContact O-N 3.14Å
7	C	69.1	Low	61.6	Low	93 Å²	93	146.1 Å²	146.1	63%	0.628	78%	0.784	S	S	*	*			trans	-78.4	102.9	169.2	-75.1	0	0	0	0	109.5	F9	C7-F9 HydrophobicContact CB-CD2 4.23Å; C7-F9 HydrophobicContact CB-CE2 3.81Å; C7-F9 HydrophobicContact CB-CZ 4.46Å
8	V	73.3	Confident	61.8	Low	116 Å²	116	147.8 Å²	147.8	70%	0.703	79%	0.786	S	S	*	*			trans	-87.6	109.9	162.8	-176.8	0	0	0	0	107.4	N6 I10	N6-V8 PolarHBondContact O-N 3.14Å; V8-I10 HydrophobicContact CG1-CD1 4.46Å; V8-I10 HydrophobicContact CG1-CG1 3.85Å; V8-I10 PolarHBondContact O-N 3.04Å
9	F	61.3	Low	62.8	Low	185 Å²	185	144.2 Å²	144.2	81%	0.811	77%	0.774	S	S	*	*			trans	-86.3	102.6	169.8	-73.2	-83	0	0	0	109	C7	C7-F9 HydrophobicContact CB-CD2 4.23Å; C7-F9 HydrophobicContact CB-CE2 3.81Å; C7-F9 HydrophobicContact CB-CZ 4.46Å
10	I	72.3	Confident	64.3	Low	114 Å²	114	143.6 Å²	143.6	59%	0.585	77%	0.766	S	S	*	*			trans	-90	111.4	169.8	-56.9	179.3	0	0	0	107.9	V8 F12	V8-I10 HydrophobicContact CG1-CD1 4.46Å; V8-I10 HydrophobicContact CG1-CG1 3.85Å; V8-I10 PolarHBondContact O-N 3.04Å; I10-F12 HydrophobicContact CB-CD2 4.46Å; I10-F12 HydrophobicContact CB-CE2 4.08Å; I10-F12 HydrophobicContact CG2-CD2 3.74Å; I10-F12 HydrophobicContact CG2-CE1 4.29Å; I10-F12 HydrophobicContact CG2-CE2 3.41Å; I10-F12 VanDerWaalsContact CG2-CE2 3.41Å; I10-F12 HydrophobicContact CG2-CG 4.32Å; I10-F12 HydrophobicContact CG2-CZ 3.72Å; I10-F12 PolarHBondContact O-N 3.36Å
11	V	70.8	Confident	65.7	Low	118 Å²	118	139.6 Å²	139.6	72%	0.715	75%	0.747	S	S	*	*			trans	-85.9	104.8	170.3	-178.8	0	0	0	0	108.2	L13	V11-L13 HydrophobicContact CG1-CD2 4.15Å; V11-L13 HydrophobicContact CG1-CG 4.25Å; V11-L13 PolarHBondContact O-N 2.89Å
12	F	66.2	Low	68.3	Low	168 Å²	168	132.5 Å²	132.5	74%	0.737	71%	0.709	S	S	*	*			trans	-81.2	103.1	169.2	-74.4	-82	0	0	0	109.6	I10 L14	I10-F12 HydrophobicContact CB-CD2 4.46Å; I10-F12 HydrophobicContact CB-CE2 4.08Å; I10-F12 HydrophobicContact CG2-CD2 3.74Å; I10-F12 HydrophobicContact CG2-CE1 4.29Å; I10-F12 HydrophobicContact CG2-CE2 3.41Å; I10-F12 VanDerWaalsContact CG2-CE2 3.41Å; I10-F12 HydrophobicContact CG2-CG 4.32Å; I10-F12 HydrophobicContact CG2-CZ 3.72Å; I10-F12 PolarHBondContact O-N 3.36Å; F12-L14 PolarHBondContact O-N 3.38Å
13	L	66.3	Low	70.9	Confident	138 Å²	138	124.6 Å²	124.6	72%	0.723	68%	0.681	S	S	*	*			trans	-81	92.6	166.9	-66.8	176.9	0	0	0	108.9	V11 K15	V11-L13 HydrophobicContact CG1-CD2 4.15Å; V11-L13 HydrophobicContact CG1-CG 4.25Å; V11-L13 PolarHBondContact O-N 2.89Å; L13-K15 PolarHBondContact O-N 2.96Å
14	L	64.4	Low	73.2	Confident	166 Å²	166	122.9 Å²	122.9	87%	0.869	67%	0.669	S	S	*	*			trans	-73	77.9	166.1	-66.1	175.8	0	0	0	109	F12 G16	F12-L14 PolarHBondContact O-N 3.38Å; L14-G16 PolarHBondContact O-N 2.81Å
15	K	60.7	Low	75.3	Confident	176 Å²	176	123.3 Å²	123.3	77%	0.765	65%	0.653	S	S	*	*			trans	-75.5	106.6	161.4	-66.5	-154.6	177.2	-170.4	0	106.8	L13 V17	L13-K15 PolarHBondContact O-N 2.96Å; K15-V17 PolarHBondContact O-N 3.41Å; K15-V17 VanDerWaalsContact O-N 3.12Å
16	G	61.7	Low	76.8	Confident	67 Å²	67	118.2 Å²	118.2	69%	0.691	63%	0.632	S	S	*	*			trans	-53.6	119.3	173	0	0	0	0	0	109.5	L14 Q18	L14-G16 PolarHBondContact O-N 2.81Å; G16-Q18 PolarHBondContact O-N 3.27Å
17	V	67.4	Low	78.7	Confident	139 Å²	139	113.8 Å²	113.8	84%	0.842	62%	0.623	S	S	*	*			trans	-74.7	95.8	173.4	-179.3	0	0	0	0	106.5	K15 S19	K15-V17 PolarHBondContact O-N 3.41Å; K15-V17 VanDerWaalsContact O-N 3.12Å; V17-S19 PolarHBondContact O-N 3.06Å
18	Q	66.2	Low	79.8	Confident	176 Å²	176	111.3 Å²	111.3	82%	0.822	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-73.7	119.7	164.9	-66.3	-66	-46.3	0	0	106.7	G16	G16-Q18 PolarHBondContact O-N 3.27Å
19	S	80.1	Confident	80.8	Confident	79 Å²	79	109 Å²	109	55%	0.552	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-69.8	139.9	175	-171.2	0	0	0	0	109.1	V17 V21	V17-S19 PolarHBondContact O-N 3.06Å; S19-V21 PolarHBondContact O-N 3.05Å
20	E	91.9	Very high	82.4	Confident	133 Å²	133	109 Å²	109	62%	0.621	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-65.8	127.4	174.8	-176.1	-178.8	-156.5	0	0	109.5	K22 G45	E20-K22 HydrophobicContact CG-CG 4.44Å; E20-K22 PolarHBondContact O-N 2.78Å; E20-K22 WeakPolarHBondContact OE2-CE 3.38Å; E20-K22 IonicContact OE2-NZ 3.88Å; E20-K22 PolarHBondContact OE2-NZ 2.91Å; E20-G45 WeakPolarHBondContact O-CA 3.49Å
21	V	94.4	Very high	83.5	Confident	60 Å²	60	106.4 Å²	106.4	36%	0.364	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-71	126.1	176.1	171.5	0	0	0	0	109	S19 S44 F46	S19-V21 PolarHBondContact O-N 3.05Å; V21-S44 WeakPolarHBondContact CA-O 3.24Å; V21-F46 HydrophobicContact CG1-CD1 3.99Å; V21-F46 HydrophobicContact CG1-CE1 4.17Å; V21-F46 HydrophobicContact CG2-CD1 4.32Å
22	K	97.4	Very high	84.6	Confident	95 Å²	95	108.2 Å²	108.2	41%	0.413	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	140.9	176.3	-58.9	-178.2	179.7	-175.2	0	110.8	E20 A43 S44	E20-K22 HydrophobicContact CG-CG 4.44Å; E20-K22 PolarHBondContact O-N 2.78Å; E20-K22 WeakPolarHBondContact OE2-CE 3.38Å; E20-K22 IonicContact OE2-NZ 3.88Å; E20-K22 PolarHBondContact OE2-NZ 2.91Å; K22-A43 WeakPolarHBondContact O-CA 3.3Å; K22-S44 PolarHBondContact N-O 2.87Å; K22-S44 PolarHBondContact O-N 2.79Å
23	L	98.1	Very high	86	Confident	47 Å²	47	105.5 Å²	105.5	25%	0.246	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.4	122	174	-64.8	-177.8	0	0	0	106.4	A42 A43 F46 M53 C117	L23-A42 WeakPolarHBondContact CA-O 3.13Å; L23-A43 HydrophobicContact CD2-CB 3.59Å; L23-F46 HydrophobicContact CD2-CE1 4.07Å; L23-F46 HydrophobicContact CD2-CZ 4.21Å; L23-M53 HydrophobicContact CD2-CE 3.97Å; L23-C117 VanDerWaalsContact CD1-O 3.25Å; L23-C117 WeakPolarHBondContact CD1-O 3.48Å
24	E	98.2	Very high	87.4	Confident	119 Å²	119	101.3 Å²	101.3	56%	0.556	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.5	92.9	-171.7	-64.4	-179.4	120.5	0	0	109.7	C41 A42	E24-C41 WeakPolarHBondContact O-CA 3.43Å; E24-A42 HydrophobicContact CB-CB 4.44Å; E24-A42 PolarHBondContact N-O 2.98Å; E24-A42 PolarHBondContact O-N 2.79Å
25	E	98.5	Very high	89	Confident	77 Å²	77	94.5 Å²	94.5	36%	0.36	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.6	142.2	176.5	-61.1	88.1	163.3	0	0	112.3	S40 C41 W55 Y116 C117	E25-S40 CarbonylContact C-O 3.58Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.38Å; E25-C41 HydrophobicContact CG-CB 4.32Å; E25-W55 HydrophobicContact CG-CH2 4.13Å; E25-W55 HydrophobicContact CG-CZ3 3.99Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.24Å; E25-C117 VanDerWaalsContact CD-SG 3.56Å; E25-C117 HydrophobicContact CG-CB 4.47Å; E25-C117 PolarHBondContact OE1-N 3.35Å; E25-C117 PolarHBondContact OE1-SG 3.46Å
26	S	98	Very high	90.8	Very high	59 Å²	59	89.3 Å²	89.3	41%	0.413	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.8	163.1	177.5	48.3	0	0	0	0	111.4	S40	S26-S40 PolarHBondContact N-O 3.1Å; S26-S40 PolarHBondContact O-N 2.69Å; S26-S40 PolarHBondContact O-OG 3.26Å; S26-S40 PolarHBondContact OG-O 3.49Å; S26-S40 PolarHBondContact OG-OG 3.49Å
27	G	95.7	Very high	92.4	Very high	64 Å²	64	87.6 Å²	87.6	66%	0.66	53%	0.53	S	S	*	.			trans	94	-157.9	-165.4	0	0	0	0	0	110.7
28	G	93.3	Very high	93.9	Very high	42 Å²	42	86.1 Å²	86.1	43%	0.433	51%	0.512	S	S	.	.			trans	93.4	-170.8	-173.3	0	0	0	0	0	112.7	M37 L39	G28-M37 VanDerWaalsContact C-CE 3.47Å; G28-M37 WeakPolarHBondContact CA-SD 3.14Å; G28-M37 WeakPolarHBondContact O-CE 3.39Å; G28-L39 VanDerWaalsContact N-CD2 3.29Å
29	G	94.7	Very high	95.4	Very high	68 Å²	68	78.4 Å²	78.4	70%	0.701	48%	0.476	S	S	*	.			trans	117.4	-171.5	179.8	0	0	0	0	0	113.1	M37	G29-M37 WeakPolarHBondContact O-CE 3.43Å
30	L	95.2	Very high	96.3	Very high	185 Å²	185	76.1 Å²	76.1	97%	0.969	46%	0.46	S	S	*	.			trans	-85.7	136.2	177.4	-65.7	171.1	0	0	0	110
31	V	94.9	Very high	96.7	Very high	59 Å²	59	69.8 Å²	69.8	36%	0.358	43%	0.431	S	S	.	.			trans	-137	142.5	178.4	64.3	0	0	0	0	109	M37 L107	V31-M37 HydrophobicContact CB-CE 4.08Å; V31-M37 HydrophobicContact CG1-CE 4.31Å; V31-L107 HydrophobicContact CB-CD1 4.47Å; V31-L107 HydrophobicContact CG1-CB 4.39Å; V31-L107 HydrophobicContact CG1-CD1 3.66Å; V31-L107 HydrophobicContact CG2-CD1 4.24Å
32	Q	94.2	Very high	96.8	Very high	155 Å²	155	68.7 Å²	68.7	72%	0.724	43%	0.428	S	S	*	.			trans	-69.5	148.9	175	-63.4	-61.6	-28	0	0	110.2	G34 G35	Q32-G34 PolarHBondContact O-N 2.71Å; Q32-G35 WeakPolarHBondContact O-CA 3.48Å; Q32-G35 PolarHBondContact O-N 2.79Å
33	P	94.4	Very high	96.9	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	134.7	172.5	-26.5	35	0	0	0	111.9	G35	P33-G35 PolarHBondContact O-N 3.07Å
34	G	96.8	Very high	96.8	Very high	50 Å²	50	64.8 Å²	64.8	52%	0.515	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-7.2	-174.5	0	0	0	0	0	114.8	Q32 L107	Q32-G34 PolarHBondContact O-N 2.71Å; G34-L107 PolarHBondContact N-O 2.93Å
35	G	97.5	Very high	96.7	Very high	22 Å²	22	60.3 Å²	60.3	23%	0.227	40%	0.403	C	S	.	.			trans	-68	-178	175.5	0	0	0	0	0	113.4	Q32 P33 S106 L107	Q32-G35 WeakPolarHBondContact O-CA 3.48Å; Q32-G35 PolarHBondContact O-N 2.79Å; P33-G35 PolarHBondContact O-N 3.07Å; G35-S106 PolarHBondContact O-N 3.44Å; G35-S106 VanDerWaalsContact O-N 3.14Å; G35-L107 PolarHBondContact O-N 2.99Å
36	S	97.4	Very high	96.5	Very high	67 Å²	67	58.8 Å²	58.8	47%	0.469	40%	0.395	S	S	.	.			trans	-130.9	151.9	-179.1	-55.4	0	0	0	0	111	M104 N105	S36-M104 CarbonylContact C-O 3.56Å; S36-M104 WeakPolarHBondContact CA-O 3.45Å; S36-M104 WeakPolarHBondContact CB-O 3.42Å; S36-N105 PolarHBondContact OG-OD1 3Å
37	M	97	Very high	96.4	Very high	31 Å²	31	60.2 Å²	60.2	15%	0.153	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	-179.9	-179.5	173.7	-73.6	0	0	109.7	G28 G29 V31 L39 M104 L107	G28-M37 VanDerWaalsContact C-CE 3.47Å; G28-M37 WeakPolarHBondContact CA-SD 3.14Å; G28-M37 WeakPolarHBondContact O-CE 3.39Å; G29-M37 WeakPolarHBondContact O-CE 3.43Å; V31-M37 HydrophobicContact CB-CE 4.08Å; V31-M37 HydrophobicContact CG1-CE 4.31Å; M37-L39 HydrophobicContact CG-CD2 4.26Å; M37-L39 HydrophobicContact SD-CD2 4.03Å; M37-M104 HydrophobicContact CB-CE 3.82Å; M37-M104 HydrophobicContact CG-CE 3.86Å; M37-M104 PolarHBondContact N-O 2.92Å; M37-M104 PolarHBondContact O-N 3.14Å; M37-M104 HydrophobicContact SD-CE 3.88Å; M37-L107 HydrophobicContact CB-CD1 3.78Å
38	K	98.1	Very high	96.4	Very high	109 Å²	109	57.4 Å²	57.4	47%	0.474	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.6	172	-172	177	177.9	-176.2	0	109.5	L102	K38-L102 WeakPolarHBondContact CA-O 3.45Å
39	L	98.6	Very high	96.6	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	151.3	167.5	-52.6	-177.9	0	0	0	109.7	G28 M37 W55 Y101 L102 M104 Y115	G28-L39 VanDerWaalsContact N-CD2 3.29Å; M37-L39 HydrophobicContact CG-CD2 4.26Å; M37-L39 HydrophobicContact SD-CD2 4.03Å; L39-W55 HydrophobicContact CB-CH2 3.77Å; L39-W55 HydrophobicContact CB-CZ2 4.12Å; L39-W55 HydrophobicContact CB-CZ3 4.24Å; L39-W55 HydrophobicContact CD1-CE3 4.49Å; L39-W55 HydrophobicContact CD1-CH2 4.48Å; L39-W55 HydrophobicContact CD1-CZ3 4.11Å; L39-Y101 VanDerWaalsContact O-CA 3.25Å; L39-Y101 WeakPolarHBondContact O-CA 3.25Å; L39-L102 HydrophobicContact CB-CB 4.32Å; L39-L102 HydrophobicContact CD1-CD2 4.48Å; L39-L102 PolarHBondContact N-O 2.89Å; L39-L102 PolarHBondContact O-N 2.81Å; L39-M104 HydrophobicContact CD1-CE 3.86Å; L39-M104 HydrophobicContact CD1-SD 4.22Å; L39-M104 HydrophobicContact CD2-CE 4.07Å; L39-M104 HydrophobicContact CG-CE 3.68Å; L39-M104 HydrophobicContact CG-SD 4.49Å; L39-Y115 VanDerWaalsContact CD1-CB 3.47Å; L39-Y115 HydrophobicContact CD1-CD1 3.83Å; L39-Y115 HydrophobicContact CD1-CD2 4.15Å; L39-Y115 HydrophobicContact CD1-CG 3.57Å
40	S	98.7	Very high	96.6	Very high	31 Å²	31	59.5 Å²	59.5	22%	0.217	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.3	172	32.7	0	0	0	0	110.1	E25 S26 V100	E25-S40 CarbonylContact C-O 3.58Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.38Å; S26-S40 PolarHBondContact N-O 3.1Å; S26-S40 PolarHBondContact O-N 2.69Å; S26-S40 PolarHBondContact O-OG 3.26Å; S26-S40 PolarHBondContact OG-O 3.49Å; S26-S40 PolarHBondContact OG-OG 3.49Å; S40-V100 CarbonylContact C-O 3.49Å; S40-V100 WeakPolarHBondContact CA-O 3.41Å
41	C	98.7	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.5	169.7	161.1	0	0	0	0	108.7	E24 E25 W55 S99 V100 C117	E24-C41 WeakPolarHBondContact O-CA 3.43Å; E25-C41 HydrophobicContact CG-CB 4.32Å; C41-W55 HydrophobicContact CB-CH2 3.81Å; C41-W55 HydrophobicContact CB-CZ2 3.78Å; C41-S99 VanDerWaalsContact O-CA 3.26Å; C41-S99 WeakPolarHBondContact O-CA 3.17Å; C41-V100 HydrophobicContact CB-CG1 3.68Å; C41-V100 PolarHBondContact N-O 3.13Å; C41-V100 PolarHBondContact O-N 2.78Å; C41-C117 HydrophobicContact CB-CB 3.43Å; C41-C117 VanDerWaalsContact CB-CB 3.43Å; C41-C117 WeakPolarHBondContact CB-SG 3.27Å; C41-C117 WeakPolarHBondContact SG-CB 3.34Å; C41-C117 CovalentContact SG-SG 2.01Å; C41-C117 PolarHBondContact SG-SG 3.47Å
42	A	98.5	Very high	96.8	Very high	37 Å²	37	52.9 Å²	52.9	31%	0.306	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131	173.8	0	0	0	0	0	109.2	L23 E24	L23-A42 WeakPolarHBondContact CA-O 3.13Å; E24-A42 HydrophobicContact CB-CB 4.44Å; E24-A42 PolarHBondContact N-O 2.98Å; E24-A42 PolarHBondContact O-N 2.79Å
43	A	98.1	Very high	97	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.7	-175.2	0	0	0	0	0	111.5	K22 L23 F46 F48 S98	K22-A43 WeakPolarHBondContact O-CA 3.3Å; L23-A43 HydrophobicContact CD2-CB 3.59Å; A43-F46 HydrophobicContact CB-CE1 3.78Å; A43-F46 HydrophobicContact CB-CZ 3.59Å; A43-F48 HydrophobicContact CB-CD2 3.62Å; A43-F48 HydrophobicContact CB-CE2 3.94Å; A43-S98 WeakPolarHBondContact CB-O 3.42Å; A43-S98 PolarHBondContact N-O 3.23Å; A43-S98 WeakPolarHBondContact O-CB 3.22Å
44	S	97	Very high	97.2	Very high	51 Å²	51	41.3 Å²	41.3	36%	0.357	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	166.2	176.2	62.4	0	0	0	0	111.8	V21 K22 F46	V21-S44 WeakPolarHBondContact CA-O 3.24Å; K22-S44 PolarHBondContact N-O 2.87Å; K22-S44 PolarHBondContact O-N 2.79Å; S44-F46 WeakPolarHBondContact O-CD1 3.2Å
45	G	95.1	Very high	97.3	Very high	25 Å²	25	39 Å²	39	26%	0.258	23%	0.232	S	C	.	.	S	Bend	trans	85.7	6.3	-179.8	0	0	0	0	0	115.5	E20	E20-G45 WeakPolarHBondContact O-CA 3.49Å
46	F	94.3	Very high	97.4	Very high	46 Å²	46	39.2 Å²	39.2	20%	0.202	23%	0.229	C	C	.	.	S	Bend	trans	-153.4	166.3	174.8	63.6	-80.2	0	0	0	111.5	V21 L23 A43 S44 F48 A51 M53 R119	V21-F46 HydrophobicContact CG1-CD1 3.99Å; V21-F46 HydrophobicContact CG1-CE1 4.17Å; V21-F46 HydrophobicContact CG2-CD1 4.32Å; L23-F46 HydrophobicContact CD2-CE1 4.07Å; L23-F46 HydrophobicContact CD2-CZ 4.21Å; A43-F46 HydrophobicContact CB-CE1 3.78Å; A43-F46 HydrophobicContact CB-CZ 3.59Å; S44-F46 WeakPolarHBondContact O-CD1 3.2Å; F46-F48 HydrophobicContact CE2-CB 4.33Å; F46-F48 HydrophobicContact CE2-CD2 4.11Å; F46-F48 HydrophobicContact CZ-CD2 4.12Å; F46-F48 PolarHBondContact O-N 3.23Å; F46-A51 HydrophobicContact CD2-CB 3.9Å; F46-A51 HydrophobicContact CE2-CB 3.49Å; F46-A51 VanDerWaalsContact CE2-CB 3.49Å; F46-M53 HydrophobicContact CE2-SD 4.32Å; F46-M53 HydrophobicContact CZ-SD 4.15Å; F46-R119 HydrophobicContact CZ-CB 4.35Å; F46-R119 VanDerWaalsContact CZ-CD 3.44Å; F46-R119 HydrophobicContact CZ-CG 4.46Å
47	T	95.2	Very high	97.4	Very high	88 Å²	88	36.3 Å²	36.3	54%	0.54	21%	0.207	S	C	.	.			trans	-72.4	90.5	174	-52.5	0	0	0	0	110	S49 D50	T47-S49 VanDerWaalsContact C-N 3.26Å; T47-S49 WeakPolarHBondContact CG2-OG 3.25Å; T47-S49 PolarHBondContact O-N 2.96Å; T47-D50 HydrophobicContact CG2-CB 4.22Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.22Å; T47-D50 PolarHBondContact O-N 2.76Å; T47-D50 VanDerWaalsContact O-N 3.12Å
48	F	97.1	Very high	97.4	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.022	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-55.4	-39.3	-175.2	180	-97	0	0	0	113.5	A43 F46 D50 A51 M53 R93 D95 V100	A43-F48 HydrophobicContact CB-CD2 3.62Å; A43-F48 HydrophobicContact CB-CE2 3.94Å; F46-F48 HydrophobicContact CE2-CB 4.33Å; F46-F48 HydrophobicContact CE2-CD2 4.11Å; F46-F48 HydrophobicContact CZ-CD2 4.12Å; F46-F48 PolarHBondContact O-N 3.23Å; F48-D50 PolarHBondContact O-N 3.05Å; F48-A51 PolarHBondContact O-N 3.32Å; F48-A51 VanDerWaalsContact O-N 3.13Å; F48-M53 HydrophobicContact CD2-CG 4.49Å; F48-M53 HydrophobicContact CD2-SD 4.15Å; F48-M53 HydrophobicContact CE2-CE 4.3Å; F48-M53 HydrophobicContact CE2-CG 3.69Å; F48-M53 HydrophobicContact CE2-SD 3.78Å; F48-M53 HydrophobicContact CZ-CG 4.08Å; F48-R93 HydrophobicContact CE1-CB 4.35Å; F48-R93 HydrophobicContact CZ-CB 4.31Å; F48-R93 PolarHBondContact O-NH2 2.91Å; F48-D95 HydrophobicContact CD1-CB 4.48Å; F48-D95 WeakPolarHBondContact CD1-OD1 2.97Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.43Å; F48-V100 HydrophobicContact CZ-CB 4.48Å
49	S	96.7	Very high	97.2	Very high	47 Å²	47	34.1 Å²	34.1	33%	0.329	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-58.7	-22.8	-179	59.5	0	0	0	0	114	T47 N72	T47-S49 VanDerWaalsContact C-N 3.26Å; T47-S49 WeakPolarHBondContact CG2-OG 3.25Å; T47-S49 PolarHBondContact O-N 2.96Å; S49-N72 VanDerWaalsContact O-CB 3.3Å; S49-N72 WeakPolarHBondContact O-CB 3.38Å
50	D	95.8	Very high	96.9	Very high	107 Å²	107	38.7 Å²	38.7	57%	0.572	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-99.8	-14.8	-175.1	-60.8	-7.8	0	0	0	111.9	T47 F48 N72	T47-D50 HydrophobicContact CG2-CB 4.22Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.22Å; T47-D50 PolarHBondContact O-N 2.76Å; T47-D50 VanDerWaalsContact O-N 3.12Å; F48-D50 PolarHBondContact O-N 3.05Å; D50-N72 PolarHBondContact O-ND2 2.99Å
51	A	96.5	Very high	96.5	Very high	14 Å²	14	45.6 Å²	45.6	12%	0.116	26%	0.259	C	S	.	.			trans	-84.5	146.6	-178.9	0	0	0	0	0	112.3	F46 F48 M53 R93	F46-A51 HydrophobicContact CD2-CB 3.9Å; F46-A51 HydrophobicContact CE2-CB 3.49Å; F46-A51 VanDerWaalsContact CE2-CB 3.49Å; F48-A51 PolarHBondContact O-N 3.32Å; F48-A51 VanDerWaalsContact O-N 3.13Å; A51-M53 HydrophobicContact CB-SD 4.29Å; A51-R93 PolarHBondContact O-NH1 3.26Å
52	W	97.9	Very high	96	Very high	92 Å²	92	51.7 Å²	51.7	35%	0.348	29%	0.285	S	S	.	.			trans	-82.2	151.4	159.7	-60.4	1.8	0	0	0	107.9	R71 N75 R119	W52-R71 HydrophobicContact CD2-CB 4.33Å; W52-R71 HydrophobicContact CD2-CG 3.81Å; W52-R71 HydrophobicContact CE3-CG 4.24Å; W52-R71 HydrophobicContact CG-CB 4.16Å; W52-R71 HydrophobicContact CG-CG 4.04Å; W52-R71 HydrophobicContact CZ2-CG 4.39Å; W52-N75 WeakPolarHBondContact CZ2-OD1 3.26Å; W52-N75 PolarHBondContact NE1-OD1 3.14Å; W52-R119 WeakPolarHBondContact O-CA 3.43Å
53	M	98.4	Very high	95.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.1	180	-60.7	-59.1	-54.4	0	0	109.5	L23 F46 F48 A51 E69 I70 V100 T118 R119	L23-M53 HydrophobicContact CD2-CE 3.97Å; F46-M53 HydrophobicContact CE2-SD 4.32Å; F46-M53 HydrophobicContact CZ-SD 4.15Å; F48-M53 HydrophobicContact CD2-CG 4.49Å; F48-M53 HydrophobicContact CD2-SD 4.15Å; F48-M53 HydrophobicContact CE2-CE 4.3Å; F48-M53 HydrophobicContact CE2-CG 3.69Å; F48-M53 HydrophobicContact CE2-SD 3.78Å; F48-M53 HydrophobicContact CZ-CG 4.08Å; A51-M53 HydrophobicContact CB-SD 4.29Å; M53-E69 CarbonylContact O-C 3.51Å; M53-E69 WeakPolarHBondContact O-CA 3.35Å; M53-I70 HydrophobicContact CB-CG2 4.01Å; M53-I70 PolarHBondContact N-O 3.19Å; M53-I70 PolarHBondContact O-N 3.18Å; M53-V100 HydrophobicContact CB-CB 4.25Å; M53-V100 HydrophobicContact CB-CG1 4.37Å; M53-V100 HydrophobicContact CB-CG2 4.11Å; M53-V100 HydrophobicContact CE-CG1 4.27Å; M53-V100 HydrophobicContact CG-CB 4.47Å; M53-T118 WeakPolarHBondContact CA-O 3.44Å; M53-T118 WeakPolarHBondContact CE-O 3.46Å; M53-R119 HydrophobicContact CE-CB 4.17Å; M53-R119 HydrophobicContact SD-CB 3.79Å
54	D	98.6	Very high	95.6	Very high	24 Å²	24	56.7 Å²	56.7	13%	0.128	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.3	179.2	-65.4	-88	0	0	0	110.9	W66 A68 E69 C117 T118	D54-W66 PolarHBondContact OD1-NE1 2.93Å; D54-A68 CarbonylContact C-O 3.5Å; D54-A68 VanDerWaalsContact CA-O 3.27Å; D54-A68 WeakPolarHBondContact CA-O 3.38Å; D54-E69 VanDerWaalsContact OD1-CB 3.25Å; D54-E69 WeakPolarHBondContact OD1-CB 3.48Å; D54-E69 WeakPolarHBondContact OD1-CG 2.95Å; D54-C117 CarbonylContact O-C 3.55Å; D54-C117 VanDerWaalsContact O-CA 3.23Å; D54-C117 WeakPolarHBondContact O-CA 3.42Å; D54-T118 WeakPolarHBondContact CB-OG1 3.39Å; D54-T118 PolarHBondContact N-O 2.85Å; D54-T118 PolarHBondContact O-N 3.27Å
55	W	98.7	Very high	95.6	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.3	160.6	-76.5	92.7	0	0	0	109.5	E25 L39 C41 V67 A68 V100 L102 Y116 C117	E25-W55 HydrophobicContact CG-CH2 4.13Å; E25-W55 HydrophobicContact CG-CZ3 3.99Å; L39-W55 HydrophobicContact CB-CH2 3.77Å; L39-W55 HydrophobicContact CB-CZ2 4.12Å; L39-W55 HydrophobicContact CB-CZ3 4.24Å; L39-W55 HydrophobicContact CD1-CE3 4.49Å; L39-W55 HydrophobicContact CD1-CH2 4.48Å; L39-W55 HydrophobicContact CD1-CZ3 4.11Å; C41-W55 HydrophobicContact CB-CH2 3.81Å; C41-W55 HydrophobicContact CB-CZ2 3.78Å; W55-V67 HydrophobicContact CB-CB 4.2Å; W55-V67 VanDerWaalsContact O-CB 3.32Å; W55-V67 WeakPolarHBondContact O-CB 3.44Å; W55-V67 PolarHBondContact O-N 2.75Å; W55-A68 PolarHBondContact N-O 2.92Å; W55-A68 PolarHBondContact O-N 3.48Å; W55-V100 HydrophobicContact CZ2-CG1 4.25Å; W55-L102 HydrophobicContact CB-CD2 4.19Å; W55-L102 HydrophobicContact CD2-CB 4.14Å; W55-L102 HydrophobicContact CD2-CD2 4.24Å; W55-L102 HydrophobicContact CG-CB 4.19Å; W55-L102 HydrophobicContact CG-CD1 4.49Å; W55-L102 HydrophobicContact CG-CD2 4Å; W55-L102 HydrophobicContact CG-CG 4.47Å; W55-L102 HydrophobicContact CZ2-CB 4.36Å; W55-Y116 WeakPolarHBondContact CA-O 3.31Å; W55-C117 HydrophobicContact CD2-CB 4.38Å; W55-C117 HydrophobicContact CE3-CB 4.31Å; W55-C117 HydrophobicContact CH2-CB 4.28Å; W55-C117 HydrophobicContact CZ2-CB 4.33Å; W55-C117 HydrophobicContact CZ3-CB 4.26Å
56	V	98.3	Very high	95.7	Very high	27 Å²	27	60 Å²	60	16%	0.164	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.3	175.1	-179.3	0	0	0	0	108.1	L64 E65 Y115 Y116 T118	V56-L64 HydrophobicContact CG1-CB 4.29Å; V56-L64 HydrophobicContact CG1-CD2 3.97Å; V56-E65 CarbonylContact C-O 3.6Å; V56-E65 WeakPolarHBondContact CA-O 3.47Å; V56-E65 WeakPolarHBondContact CG1-O 3.35Å; V56-Y115 WeakPolarHBondContact O-CA 3.42Å; V56-Y116 PolarHBondContact N-O 3.26Å; V56-Y116 PolarHBondContact O-N 2.92Å; V56-T118 HydrophobicContact CG2-CG2 4.28Å
57	R	97.8	Very high	95.9	Very high	6 Å²	6	57.9 Å²	57.9	2%	0.023	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.3	176.1	175.6	178.2	67.4	-160.9	10.9	109.9	L64 E65 V67 D111 I114 Y115	R57-L64 CarbonylContact O-C 3.55Å; R57-L64 WeakPolarHBondContact O-CA 3.45Å; R57-E65 IonicContact CZ-OE2 3.1Å; R57-E65 PolarHBondContact N-O 3.12Å; R57-E65 IonicContact NE-OE2 2.76Å; R57-E65 PolarHBondContact NE-OE2 2.89Å; R57-E65 IonicContact NH2-OE2 2.69Å; R57-E65 PolarHBondContact NH2-OE2 2.84Å; R57-E65 PolarHBondContact O-N 2.81Å; R57-V67 HydrophobicContact CB-CG2 3.54Å; R57-D111 VanDerWaalsContact NH1-CA 3.28Å; R57-D111 IonicContact NH1-OD1 3.58Å; R57-D111 PolarHBondContact NH1-OD1 2.95Å; R57-D111 VanDerWaalsContact NH1-OD1 3.12Å; R57-I114 CarbonylContact C-O 3.5Å; R57-I114 WeakPolarHBondContact CA-O 3.4Å; R57-Y115 HydrophobicContact CB-CD1 4.2Å; R57-Y115 HydrophobicContact CB-CE1 4.06Å; R57-Y115 HydrophobicContact CB-CE2 4.43Å; R57-Y115 HydrophobicContact CB-CG 4.48Å; R57-Y115 WeakPolarHBondContact CD-OH 3.3Å; R57-Y115 HydrophobicContact CG-CD2 4.25Å; R57-Y115 HydrophobicContact CG-CE1 4.37Å; R57-Y115 HydrophobicContact CG-CE2 3.89Å; R57-Y115 PolarHBondContact NH1-OH 2.96Å
58	Q	97.6	Very high	96.1	Very high	81 Å²	81	53.7 Å²	53.7	38%	0.379	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.2	161.5	-168.6	175.3	16.1	0	0	109.5	G63 L64 G113 I114 Y116	Q58-G63 CarbonylContact C-O 3.54Å; Q58-G63 WeakPolarHBondContact CA-O 3.4Å; Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 4.14Å; Q58-G113 CarbonylContact O-C 3.59Å; Q58-G113 WeakPolarHBondContact O-CA 3.44Å; Q58-I114 HydrophobicContact CB-CB 4.39Å; Q58-I114 PolarHBondContact N-O 2.93Å; Q58-I114 PolarHBondContact O-N 3.21Å; Q58-Y116 HydrophobicContact CB-CE2 4Å; Q58-Y116 PolarHBondContact OE1-OH 3.23Å
59	S	93.7	Very high	96.2	Very high	12 Å²	12	54.7 Å²	54.7	8%	0.084	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.3	171.4	173.6	0	0	0	0	110.1	E61 K62 G63	S59-E61 PolarHBondContact O-N 3.29Å; S59-E61 PolarHBondContact OG-N 3.2Å; S59-K62 PolarHBondContact OG-N 3.04Å; S59-G63 PolarHBondContact N-O 2.83Å; S59-G63 PolarHBondContact O-N 2.7Å
60	P	91.6	Very high	96.3	Very high	109 Å²	109	52.8 Å²	52.8	71%	0.708	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30	173.3	-25.4	34.5	0	0	0	113.9	T112	P60-T112 VanDerWaalsContact CD-O 3.3Å; P60-T112 WeakPolarHBondContact CD-O 3.36Å
61	E	89.8	Confident	96.4	Very high	177 Å²	177	50.6 Å²	50.6	83%	0.827	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-35.2	-173.7	-63.7	-178.8	176.4	0	0	113.4	S59	S59-E61 PolarHBondContact O-N 3.29Å; S59-E61 PolarHBondContact OG-N 3.2Å
62	K	89	Confident	96.5	Very high	127 Å²	127	51 Å²	51	55%	0.552	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-10.1	-168.6	-62.6	178.1	-178.7	173.7	0	114.4	S59 E65	S59-K62 PolarHBondContact OG-N 3.04Å; K62-E65 HydrophobicContact CB-CG 4.47Å; K62-E65 WeakPolarHBondContact CD-OE1 3.49Å
63	G	92.5	Very high	96.4	Very high	30 Å²	30	53.4 Å²	53.4	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-144.7	-172.6	0	0	0	0	0	112	Q58 S59	Q58-G63 CarbonylContact C-O 3.54Å; Q58-G63 WeakPolarHBondContact CA-O 3.4Å; S59-G63 PolarHBondContact N-O 2.83Å; S59-G63 PolarHBondContact O-N 2.7Å
64	L	96.2	Very high	96.3	Very high	121 Å²	121	57.5 Å²	57.5	63%	0.634	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.9	-176	-68.1	170.1	0	0	0	111.8	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 4.29Å; V56-L64 HydrophobicContact CG1-CD2 3.97Å; R57-L64 CarbonylContact O-C 3.55Å; R57-L64 WeakPolarHBondContact O-CA 3.45Å; Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 4.14Å
65	E	96.8	Very high	96.3	Very high	43 Å²	43	59.3 Å²	59.3	20%	0.201	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.4	179.3	-61.1	-177.8	140.3	0	0	109.4	V56 R57 K62	V56-E65 CarbonylContact C-O 3.6Å; V56-E65 WeakPolarHBondContact CA-O 3.47Å; V56-E65 WeakPolarHBondContact CG1-O 3.35Å; R57-E65 IonicContact CZ-OE2 3.1Å; R57-E65 PolarHBondContact N-O 3.12Å; R57-E65 IonicContact NE-OE2 2.76Å; R57-E65 PolarHBondContact NE-OE2 2.89Å; R57-E65 IonicContact NH2-OE2 2.69Å; R57-E65 PolarHBondContact NH2-OE2 2.84Å; R57-E65 PolarHBondContact O-N 2.81Å; K62-E65 HydrophobicContact CB-CG 4.47Å; K62-E65 WeakPolarHBondContact CD-OE1 3.49Å
66	W	97.8	Very high	96.2	Very high	102 Å²	102	66.1 Å²	66.1	39%	0.386	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.9	169.5	177.1	88.4	0	0	0	110	D54 E69 A82	D54-W66 PolarHBondContact OD1-NE1 2.93Å; W66-E69 HydrophobicContact CZ2-CB 3.65Å; W66-A82 HydrophobicContact CE3-CB 3.89Å; W66-A82 HydrophobicContact CZ3-CB 4.01Å; W66-A82 VanDerWaalsContact O-CB 3.24Å; W66-A82 WeakPolarHBondContact O-CB 3.4Å
67	V	98.4	Very high	96.2	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-52.6	-172.7	179.3	0	0	0	0	111.9	W55 R57 A82 V85 F89 L102 Y115	W55-V67 HydrophobicContact CB-CB 4.2Å; W55-V67 VanDerWaalsContact O-CB 3.32Å; W55-V67 WeakPolarHBondContact O-CB 3.44Å; W55-V67 PolarHBondContact O-N 2.75Å; R57-V67 HydrophobicContact CB-CG2 3.54Å; V67-A82 PolarHBondContact O-N 2.82Å; V67-V85 HydrophobicContact CG1-CG1 4.42Å; V67-V85 HydrophobicContact CG1-CG2 3.99Å; V67-F89 HydrophobicContact CG1-CD2 3.83Å; V67-F89 HydrophobicContact CG1-CE2 4.15Å; V67-L102 HydrophobicContact CG1-CD2 4.14Å; V67-Y115 HydrophobicContact CG1-CE1 4.39Å; V67-Y115 HydrophobicContact CG2-CE1 4.18Å
68	A	98.7	Very high	96.2	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	151.5	-177.6	0	0	0	0	0	111.6	D54 W55 Y80 Y81 I91 L102	D54-A68 CarbonylContact C-O 3.5Å; D54-A68 VanDerWaalsContact CA-O 3.27Å; D54-A68 WeakPolarHBondContact CA-O 3.38Å; W55-A68 PolarHBondContact N-O 2.92Å; W55-A68 PolarHBondContact O-N 3.48Å; A68-Y80 CarbonylContact C-O 3.54Å; A68-Y80 WeakPolarHBondContact CA-O 3.24Å; A68-Y80 WeakPolarHBondContact CB-O 3.38Å; A68-Y81 HydrophobicContact CB-CD1 3.75Å; A68-Y81 HydrophobicContact CB-CE1 4.07Å; A68-I91 HydrophobicContact CB-CB 4.04Å; A68-I91 HydrophobicContact CB-CD1 4.1Å; A68-I91 HydrophobicContact CB-CG2 4.13Å; A68-L102 HydrophobicContact CB-CD1 4.28Å
69	E	98.8	Very high	96.3	Very high	27 Å²	27	68.6 Å²	68.6	13%	0.126	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.3	173.7	-179.2	-173.1	97	0	0	108.9	M53 D54 W66 R71 T79 Y80	M53-E69 CarbonylContact O-C 3.51Å; M53-E69 WeakPolarHBondContact O-CA 3.35Å; D54-E69 VanDerWaalsContact OD1-CB 3.25Å; D54-E69 WeakPolarHBondContact OD1-CB 3.48Å; D54-E69 WeakPolarHBondContact OD1-CG 2.95Å; W66-E69 HydrophobicContact CZ2-CB 3.65Å; E69-R71 HydrophobicContact CG-CG 4.44Å; E69-R71 VanDerWaalsContact OE1-CG 3.24Å; E69-R71 WeakPolarHBondContact OE1-CG 3.45Å; E69-R71 IonicContact OE1-CZ 3.7Å; E69-R71 IonicContact OE1-NE 2.85Å; E69-R71 PolarHBondContact OE1-NE 3.48Å; E69-R71 IonicContact OE1-NH2 3.63Å; E69-T79 CarbonylContact O-C 3.53Å; E69-T79 VanDerWaalsContact O-CA 3.26Å; E69-T79 WeakPolarHBondContact O-CA 3.32Å; E69-Y80 HydrophobicContact CB-CD2 4.45Å; E69-Y80 PolarHBondContact N-O 3.33Å; E69-Y80 PolarHBondContact O-N 3.32Å; E69-Y80 WeakPolarHBondContact OE1-CD2 3.38Å
70	I	98.8	Very high	96.5	Very high	6 Å²	6	73 Å²	73	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.2	163.7	-171.7	162.8	0	0	0	109.8	M53 H77 T79 I91 R93 V100	M53-I70 HydrophobicContact CB-CG2 4.01Å; M53-I70 PolarHBondContact N-O 3.19Å; M53-I70 PolarHBondContact O-N 3.18Å; I70-H77 HydrophobicContact CG1-CB 4.49Å; I70-T79 HydrophobicContact CB-CG2 4.33Å; I70-T79 HydrophobicContact CD1-CG2 4.01Å; I70-T79 HydrophobicContact CG1-CG2 3.97Å; I70-I91 HydrophobicContact CB-CD1 3.84Å; I70-I91 HydrophobicContact CB-CG1 4.03Å; I70-I91 HydrophobicContact CB-CG2 4Å; I70-I91 HydrophobicContact CG2-CD1 3.57Å; I70-I91 HydrophobicContact CG2-CG1 3.84Å; I70-R93 HydrophobicContact CD1-CB 4.1Å; I70-R93 HydrophobicContact CD1-CG 3.63Å; I70-R93 HydrophobicContact CG1-CG 4.23Å; I70-R93 HydrophobicContact CG2-CB 4.38Å; I70-V100 HydrophobicContact CG2-CG2 3.81Å
71	R	98.3	Very high	96.8	Very high	62 Å²	62	70.1 Å²	70.1	23%	0.234	35%	0.354	C	S	.	.			trans	-76.1	170.8	179.5	-60.8	-168.6	176.9	174.4	-2.1	112.2	W52 E69 N75 A78 Y80 R93	W52-R71 HydrophobicContact CD2-CB 4.33Å; W52-R71 HydrophobicContact CD2-CG 3.81Å; W52-R71 HydrophobicContact CE3-CG 4.24Å; W52-R71 HydrophobicContact CG-CB 4.16Å; W52-R71 HydrophobicContact CG-CG 4.04Å; W52-R71 HydrophobicContact CZ2-CG 4.39Å; E69-R71 HydrophobicContact CG-CG 4.44Å; E69-R71 VanDerWaalsContact OE1-CG 3.24Å; E69-R71 WeakPolarHBondContact OE1-CG 3.45Å; E69-R71 IonicContact OE1-CZ 3.7Å; E69-R71 IonicContact OE1-NE 2.85Å; E69-R71 PolarHBondContact OE1-NE 3.48Å; E69-R71 IonicContact OE1-NH2 3.63Å; R71-N75 HydrophobicContact CB-CB 3.71Å; R71-N75 HydrophobicContact CG-CB 4.43Å; R71-A78 HydrophobicContact CG-CB 4.5Å; R71-A78 PolarHBondContact N-O 3.07Å; R71-Y80 HydrophobicContact CG-CE2 4.45Å; R71-R93 PolarHBondContact O-NH1 3.37Å; R71-R93 VanDerWaalsContact O-NH1 3.13Å
72	N	97.8	Very high	97.2	Very high	21 Å²	21	62.4 Å²	62.4	11%	0.112	32%	0.32	C	S	.	.			trans	-69.8	174.2	175.6	68.2	20.4	0	0	0	112.4	S49 D50 A74 N75 H77	S49-N72 VanDerWaalsContact O-CB 3.3Å; S49-N72 WeakPolarHBondContact O-CB 3.38Å; D50-N72 PolarHBondContact O-ND2 2.99Å; N72-A74 VanDerWaalsContact C-N 3.3Å; N72-A74 PolarHBondContact O-N 3Å; N72-A74 PolarHBondContact OD1-N 3.12Å; N72-N75 CarbonylContact O-C 3.57Å; N72-N75 PolarHBondContact O-N 2.59Å; N72-N75 VanDerWaalsContact O-N 3.15Å; N72-N75 PolarHBondContact OD1-N 3.11Å; N72-N75 PolarHBondContact OD1-OD1 3.1Å; N72-H77 PolarHBondContact O-N 2.84Å; N72-H77 VanDerWaalsContact O-N 3.11Å
73	K	95.9	Very high	97.6	Very high	143 Å²	143	63.2 Å²	63.2	62%	0.622	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-60.8	-36.4	179.5	-174.9	174.3	-179.8	179.1	0	113.3	N75 N76 H77	K73-N75 PolarHBondContact O-N 3.27Å; K73-N76 PolarHBondContact O-N 3.49Å; K73-H77 WeakPolarHBondContact CA-NE2 3.4Å
74	A	96.9	Very high	97.8	Very high	86 Å²	86	65 Å²	65	71%	0.711	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.1	-24.5	178.9	0	0	0	0	0	112.7	N72	N72-A74 VanDerWaalsContact C-N 3.3Å; N72-A74 PolarHBondContact O-N 3Å; N72-A74 PolarHBondContact OD1-N 3.12Å
75	N	98	Very high	97.8	Very high	62 Å²	62	59.2 Å²	59.2	33%	0.332	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-100.1	27.5	173.3	-59.8	124.1	0	0	0	112.8	W52 R71 N72 K73 H77 A78	W52-N75 WeakPolarHBondContact CZ2-OD1 3.26Å; W52-N75 PolarHBondContact NE1-OD1 3.14Å; R71-N75 HydrophobicContact CB-CB 3.71Å; R71-N75 HydrophobicContact CG-CB 4.43Å; N72-N75 CarbonylContact O-C 3.57Å; N72-N75 PolarHBondContact O-N 2.59Å; N72-N75 VanDerWaalsContact O-N 3.15Å; N72-N75 PolarHBondContact OD1-N 3.11Å; N72-N75 PolarHBondContact OD1-OD1 3.1Å; K73-N75 PolarHBondContact O-N 3.27Å; N75-H77 PolarHBondContact O-N 2.93Å; N75-H77 VanDerWaalsContact O-N 3.15Å; N75-A78 WeakPolarHBondContact O-CB 3.17Å; N75-A78 PolarHBondContact O-N 2.85Å; N75-A78 VanDerWaalsContact O-N 3.09Å
76	N	97.5	Very high	97.9	Very high	144 Å²	144	62.9 Å²	62.9	77%	0.77	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	26.6	177.6	-61.7	-35.4	0	0	0	114.6	K73 A78	K73-N76 PolarHBondContact O-N 3.49Å; N76-A78 PolarHBondContact O-N 3.03Å
77	H	97.9	Very high	97.9	Very high	74 Å²	74	61.9 Å²	61.9	34%	0.343	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	34.8	-173.9	-46.6	109.5	0	0	0	113	I70 N72 K73 N75 T79	I70-H77 HydrophobicContact CG1-CB 4.49Å; N72-H77 PolarHBondContact O-N 2.84Å; N72-H77 VanDerWaalsContact O-N 3.11Å; K73-H77 WeakPolarHBondContact CA-NE2 3.4Å; N75-H77 PolarHBondContact O-N 2.93Å; N75-H77 VanDerWaalsContact O-N 3.15Å; H77-T79 WeakPolarHBondContact O-CG2 3.44Å; H77-T79 PolarHBondContact O-N 2.78Å
78	A	98.5	Very high	97.9	Very high	32 Å²	32	63 Å²	63	26%	0.264	34%	0.344	S	S	.	.			trans	-53.6	133.3	178.1	0	0	0	0	0	110.6	R71 N75 N76 Y80	R71-A78 HydrophobicContact CG-CB 4.5Å; R71-A78 PolarHBondContact N-O 3.07Å; N75-A78 WeakPolarHBondContact O-CB 3.17Å; N75-A78 PolarHBondContact O-N 2.85Å; N75-A78 VanDerWaalsContact O-N 3.09Å; N76-A78 PolarHBondContact O-N 3.03Å; A78-Y80 HydrophobicContact CB-CE2 4.05Å
79	T	98.8	Very high	97.9	Very high	60 Å²	60	63.1 Å²	63.1	37%	0.368	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.4	-177.8	60.4	0	0	0	0	111.3	E69 I70 H77 I91	E69-T79 CarbonylContact O-C 3.53Å; E69-T79 VanDerWaalsContact O-CA 3.26Å; E69-T79 WeakPolarHBondContact O-CA 3.32Å; I70-T79 HydrophobicContact CB-CG2 4.33Å; I70-T79 HydrophobicContact CD1-CG2 4.01Å; I70-T79 HydrophobicContact CG1-CG2 3.97Å; H77-T79 WeakPolarHBondContact O-CG2 3.44Å; H77-T79 PolarHBondContact O-N 2.78Å; T79-I91 HydrophobicContact CG2-CG2 3.76Å
80	Y	98.6	Very high	97.9	Very high	104 Å²	104	65.1 Å²	65.1	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.1	174.7	-57.6	-91.5	0	0	0	109.5	A68 E69 R71 A78	A68-Y80 CarbonylContact C-O 3.54Å; A68-Y80 WeakPolarHBondContact CA-O 3.24Å; A68-Y80 WeakPolarHBondContact CB-O 3.38Å; E69-Y80 HydrophobicContact CB-CD2 4.45Å; E69-Y80 PolarHBondContact N-O 3.33Å; E69-Y80 PolarHBondContact O-N 3.32Å; E69-Y80 WeakPolarHBondContact OE1-CD2 3.38Å; R71-Y80 HydrophobicContact CG-CE2 4.45Å; A78-Y80 HydrophobicContact CB-CE2 4.05Å
81	Y	98.7	Very high	97.9	Very high	50 Å²	50	65.1 Å²	65.1	20%	0.196	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.4	-176.6	-60.4	-86.8	0	0	0	110.6	A68 F89 T90 I91	A68-Y81 HydrophobicContact CB-CD1 3.75Å; A68-Y81 HydrophobicContact CB-CE1 4.07Å; Y81-F89 WeakPolarHBondContact CE1-O 3.34Å; Y81-T90 WeakPolarHBondContact OH-CA 3.44Å; Y81-I91 HydrophobicContact CE1-CB 4.28Å; Y81-I91 HydrophobicContact CE1-CG2 3.89Å; Y81-I91 PolarHBondContact OH-N 3.12Å
82	A	98	Very high	97.9	Very high	14 Å²	14	64.4 Å²	64.4	12%	0.116	36%	0.363	C	S	.	.			trans	-67.2	144.7	169.6	0	0	0	0	0	110.3	W66 V67 S84 V85 K86	W66-A82 HydrophobicContact CE3-CB 3.89Å; W66-A82 HydrophobicContact CZ3-CB 4.01Å; W66-A82 VanDerWaalsContact O-CB 3.24Å; W66-A82 WeakPolarHBondContact O-CB 3.4Å; V67-A82 PolarHBondContact O-N 2.82Å; A82-S84 PolarHBondContact O-N 3.43Å; A82-S84 VanDerWaalsContact O-N 3.12Å; A82-V85 HydrophobicContact CB-CG2 4.22Å; A82-V85 WeakPolarHBondContact O-CG2 3.46Å; A82-V85 PolarHBondContact O-N 3.15Å; A82-K86 PolarHBondContact O-N 2.96Å
83	E	97.5	Very high	97.9	Very high	145 Å²	145	64.9 Å²	64.9	68%	0.678	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.6	-176.8	-68.7	-60.8	134.4	0	0	112.7	V85 K86	E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 3.39Å; E83-K86 WeakPolarHBondContact OE1-CD 3.04Å; E83-K86 IonicContact OE1-NZ 2.92Å; E83-K86 PolarHBondContact OE1-NZ 2.81Å; E83-K86 IonicContact OE2-NZ 3.89Å
84	S	95.4	Very high	98	Very high	66 Å²	66	60 Å²	60	46%	0.462	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.4	177	56.4	0	0	0	0	114.5	A82 R88	A82-S84 PolarHBondContact O-N 3.43Å; A82-S84 VanDerWaalsContact O-N 3.12Å; S84-R88 PolarHBondContact O-NH2 2.89Å
85	V	97.6	Very high	98	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-7.4	-174.6	-58.1	0	0	0	0	113.6	V67 A82 E83 G87 R88 F89	V67-V85 HydrophobicContact CG1-CG1 4.42Å; V67-V85 HydrophobicContact CG1-CG2 3.99Å; A82-V85 HydrophobicContact CB-CG2 4.22Å; A82-V85 WeakPolarHBondContact O-CG2 3.46Å; A82-V85 PolarHBondContact O-N 3.15Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 3.39Å; V85-G87 PolarHBondContact O-N 2.83Å; V85-R88 WeakPolarHBondContact O-CB 3.25Å; V85-R88 PolarHBondContact O-N 3.44Å; V85-F89 HydrophobicContact CB-CB 4.12Å; V85-F89 HydrophobicContact CB-CD1 4.23Å; V85-F89 HydrophobicContact CB-CD2 3.54Å; V85-F89 HydrophobicContact CB-CE2 3.9Å; V85-F89 HydrophobicContact CB-CG 3.71Å; V85-F89 HydrophobicContact CB-CZ 4.38Å; V85-F89 HydrophobicContact CG1-CD2 3.62Å; V85-F89 HydrophobicContact CG1-CE1 4.44Å; V85-F89 HydrophobicContact CG1-CE2 3.44Å; V85-F89 VanDerWaalsContact CG1-CE2 3.44Å; V85-F89 HydrophobicContact CG1-CG 4.21Å; V85-F89 HydrophobicContact CG1-CZ 3.88Å; V85-F89 HydrophobicContact CG2-CB 4.31Å; V85-F89 HydrophobicContact CG2-CD2 3.97Å; V85-F89 HydrophobicContact CG2-CG 4.3Å; V85-F89 PolarHBondContact O-N 2.84Å
86	K	97.6	Very high	98	Very high	121 Å²	121	60.2 Å²	60.2	53%	0.526	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	130.3	-179	-166.6	176	-170.4	173.2	0	111.2	A82 E83 R88	A82-K86 PolarHBondContact O-N 2.96Å; E83-K86 WeakPolarHBondContact OE1-CD 3.04Å; E83-K86 IonicContact OE1-NZ 2.92Å; E83-K86 PolarHBondContact OE1-NZ 2.81Å; E83-K86 IonicContact OE2-NZ 3.89Å; K86-R88 PolarHBondContact O-N 2.87Å
87	G	97.9	Very high	98	Very high	80 Å²	80	59.4 Å²	59.4	83%	0.825	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-8.1	-177.4	0	0	0	0	0	115.4	V85	V85-G87 PolarHBondContact O-N 2.83Å
88	R	98.2	Very high	98	Very high	26 Å²	26	57.9 Å²	57.9	10%	0.098	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-38.4	175.4	-61.5	-171.1	-58.8	110.9	-1.9	112.3	S84 V85 K86 N105 S106 D111	S84-R88 PolarHBondContact O-NH2 2.89Å; V85-R88 WeakPolarHBondContact O-CB 3.25Å; V85-R88 PolarHBondContact O-N 3.44Å; K86-R88 PolarHBondContact O-N 2.87Å; R88-N105 WeakPolarHBondContact O-CB 3.27Å; R88-N105 PolarHBondContact O-N 3.39Å; R88-N105 PolarHBondContact O-ND2 3.26Å; R88-S106 PolarHBondContact NH1-O 3.09Å; R88-D111 IonicContact CZ-OD1 3.2Å; R88-D111 IonicContact CZ-OD2 3.12Å; R88-D111 VanDerWaalsContact CZ-OD2 3.32Å; R88-D111 IonicContact NH1-OD1 2.78Å; R88-D111 IonicContact NH1-OD2 2.7Å; R88-D111 PolarHBondContact NH1-OD2 2.91Å; R88-D111 IonicContact NH2-OD1 3.34Å; R88-D111 PolarHBondContact NH2-OD1 2.85Å; R88-D111 IonicContact NH2-OD2 3.36Å; R88-D111 PolarHBondContact NH2-OD2 3.12Å; R88-D111 VanDerWaalsContact NH2-OD2 3.1Å
89	F	98.4	Very high	98	Very high	3 Å²	3	57 Å²	57	1%	0.013	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	154.2	-179.3	-67.5	10.9	0	0	0	110.7	V67 Y81 V85 L102 Q103 M104 L107 D111 Y115	V67-F89 HydrophobicContact CG1-CD2 3.83Å; V67-F89 HydrophobicContact CG1-CE2 4.15Å; Y81-F89 WeakPolarHBondContact CE1-O 3.34Å; V85-F89 HydrophobicContact CB-CB 4.12Å; V85-F89 HydrophobicContact CB-CD1 4.23Å; V85-F89 HydrophobicContact CB-CD2 3.54Å; V85-F89 HydrophobicContact CB-CE2 3.9Å; V85-F89 HydrophobicContact CB-CG 3.71Å; V85-F89 HydrophobicContact CB-CZ 4.38Å; V85-F89 HydrophobicContact CG1-CD2 3.62Å; V85-F89 HydrophobicContact CG1-CE1 4.44Å; V85-F89 HydrophobicContact CG1-CE2 3.44Å; V85-F89 VanDerWaalsContact CG1-CE2 3.44Å; V85-F89 HydrophobicContact CG1-CG 4.21Å; V85-F89 HydrophobicContact CG1-CZ 3.88Å; V85-F89 HydrophobicContact CG2-CB 4.31Å; V85-F89 HydrophobicContact CG2-CD2 3.97Å; V85-F89 HydrophobicContact CG2-CG 4.3Å; V85-F89 PolarHBondContact O-N 2.84Å; F89-L102 HydrophobicContact CB-CD1 4.31Å; F89-L102 HydrophobicContact CD2-CD1 4.45Å; F89-L102 HydrophobicContact CD2-CD2 4.2Å; F89-L102 HydrophobicContact CD2-CG 4.46Å; F89-Q103 CarbonylContact C-O 3.59Å; F89-Q103 VanDerWaalsContact CA-O 3.24Å; F89-Q103 WeakPolarHBondContact CA-O 3.23Å; F89-M104 HydrophobicContact CD1-CB 3.74Å; F89-M104 HydrophobicContact CD1-CG 3.95Å; F89-M104 HydrophobicContact CD2-CG 3.83Å; F89-M104 HydrophobicContact CD2-SD 4.31Å; F89-M104 HydrophobicContact CE1-CB 3.59Å; F89-M104 HydrophobicContact CE1-CG 3.9Å; F89-M104 HydrophobicContact CE1-SD 4.47Å; F89-M104 HydrophobicContact CE2-CB 4.39Å; F89-M104 HydrophobicContact CE2-CG 3.78Å; F89-M104 HydrophobicContact CE2-SD 3.73Å; F89-M104 HydrophobicContact CG-CB 4.24Å; F89-M104 HydrophobicContact CG-CG 3.94Å; F89-M104 HydrophobicContact CZ-CB 3.94Å; F89-M104 HydrophobicContact CZ-CG 3.82Å; F89-M104 HydrophobicContact CZ-SD 3.84Å; F89-L107 HydrophobicContact CE1-CD2 3.8Å; F89-L107 HydrophobicContact CZ-CD2 3.72Å; F89-D111 HydrophobicContact CZ-CB 4.18Å; F89-Y115 HydrophobicContact CE2-CE1 4.28Å
90	T	98.7	Very high	98	Very high	69 Å²	69	54.1 Å²	54.1	42%	0.423	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	117.5	177.6	-55	0	0	0	0	109.3	Y81 Q103	Y81-T90 WeakPolarHBondContact OH-CA 3.44Å; T90-Q103 PolarHBondContact N-O 2.01Å; T90-Q103 PolarHBondContact O-N 2.98Å
91	I	98.8	Very high	98	Very high	5 Å²	5	51 Å²	51	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.7	173.9	-168	173.2	0	0	0	109.1	A68 I70 T79 Y81 V100 Y101 L102	A68-I91 HydrophobicContact CB-CB 4.04Å; A68-I91 HydrophobicContact CB-CD1 4.1Å; A68-I91 HydrophobicContact CB-CG2 4.13Å; I70-I91 HydrophobicContact CB-CD1 3.84Å; I70-I91 HydrophobicContact CB-CG1 4.03Å; I70-I91 HydrophobicContact CB-CG2 4Å; I70-I91 HydrophobicContact CG2-CD1 3.57Å; I70-I91 HydrophobicContact CG2-CG1 3.84Å; T79-I91 HydrophobicContact CG2-CG2 3.76Å; Y81-I91 HydrophobicContact CE1-CB 4.28Å; Y81-I91 HydrophobicContact CE1-CG2 3.89Å; Y81-I91 PolarHBondContact OH-N 3.12Å; I91-V100 HydrophobicContact CD1-CG2 4Å; I91-V100 HydrophobicContact CG1-CG2 3.87Å; I91-Y101 WeakPolarHBondContact CA-O 3.4Å; I91-L102 HydrophobicContact CB-CD1 4.23Å
92	S	98.6	Very high	98	Very high	47 Å²	47	48.6 Å²	48.6	33%	0.329	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.8	176.9	58.9	0	0	0	0	110.3	V100 Y101	S92-V100 CarbonylContact O-C 3.47Å; S92-V100 WeakPolarHBondContact O-CA 3.41Å; S92-V100 WeakPolarHBondContact O-CG2 3.45Å; S92-Y101 PolarHBondContact N-O 2.97Å; S92-Y101 PolarHBondContact O-N 3.07Å
93	R	98.4	Very high	98	Very high	32 Å²	32	50.7 Å²	50.7	12%	0.121	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.8	179.2	64.3	-170.5	-77.8	154.9	7.3	111.5	F48 A51 I70 R71 D95 S99	F48-R93 HydrophobicContact CE1-CB 4.35Å; F48-R93 HydrophobicContact CZ-CB 4.31Å; F48-R93 PolarHBondContact O-NH2 2.91Å; A51-R93 PolarHBondContact O-NH1 3.26Å; I70-R93 HydrophobicContact CD1-CB 4.1Å; I70-R93 HydrophobicContact CD1-CG 3.63Å; I70-R93 HydrophobicContact CG1-CG 4.23Å; I70-R93 HydrophobicContact CG2-CB 4.38Å; R71-R93 PolarHBondContact O-NH1 3.37Å; R71-R93 VanDerWaalsContact O-NH1 3.13Å; R93-D95 IonicContact CZ-OD1 3.24Å; R93-D95 VanDerWaalsContact CZ-OD1 3.24Å; R93-D95 IonicContact NE-OD1 2.79Å; R93-D95 PolarHBondContact NE-OD1 3.46Å; R93-D95 IonicContact NH2-OD1 2.8Å; R93-D95 PolarHBondContact NH2-OD1 3.34Å; R93-S99 CarbonylContact C-O 3.55Å; R93-S99 WeakPolarHBondContact CA-O 2.99Å
94	D	97.9	Very high	98	Very high	39 Å²	39	44 Å²	44	21%	0.209	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	97.2	172.9	-175.5	-16.1	0	0	0	108.3	S96 K97 S98 S99 Y101	D94-S96 PolarHBondContact O-N 3.33Å; D94-S96 WeakPolarHBondContact OD1-CB 3.49Å; D94-S96 PolarHBondContact OD1-N 2.78Å; D94-S96 VanDerWaalsContact OD1-N 3.1Å; D94-S96 PolarHBondContact OD1-OG 2.79Å; D94-K97 HydrophobicContact CB-CB 4.38Å; D94-K97 CarbonylContact O-C 3.55Å; D94-K97 PolarHBondContact O-N 2.84Å; D94-K97 VanDerWaalsContact O-N 3.11Å; D94-K97 PolarHBondContact OD1-N 2.93Å; D94-K97 VanDerWaalsContact OD2-CD 3.22Å; D94-K97 WeakPolarHBondContact OD2-CD 3.26Å; D94-K97 WeakPolarHBondContact OD2-CE 3.48Å; D94-K97 IonicContact OD2-NZ 3.32Å; D94-K97 PolarHBondContact OD2-NZ 2.81Å; D94-S98 PolarHBondContact O-N 2.78Å; D94-S98 VanDerWaalsContact O-N 3.12Å; D94-S99 PolarHBondContact N-O 2.86Å; D94-S99 PolarHBondContact O-N 2.77Å; D94-S99 VanDerWaalsContact O-N 3.14Å; D94-Y101 HydrophobicContact CB-CE2 3.84Å
95	D	97.3	Very high	98.2	Very high	50 Å²	50	43.3 Å²	43.3	27%	0.267	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-64.4	-25.1	-177.3	-71.4	-12.1	0	0	0	112.6	F48 R93 K97 S98	F48-D95 HydrophobicContact CD1-CB 4.48Å; F48-D95 WeakPolarHBondContact CD1-OD1 2.97Å; F48-D95 WeakPolarHBondContact CE1-OD1 3.43Å; R93-D95 IonicContact CZ-OD1 3.24Å; R93-D95 VanDerWaalsContact CZ-OD1 3.24Å; R93-D95 IonicContact NE-OD1 2.79Å; R93-D95 PolarHBondContact NE-OD1 3.46Å; R93-D95 IonicContact NH2-OD1 2.8Å; R93-D95 PolarHBondContact NH2-OD1 3.34Å; D95-K97 PolarHBondContact O-N 2.8Å; D95-S98 PolarHBondContact O-N 2.93Å
96	S	96.8	Very high	98.2	Very high	104 Å²	104	46.5 Å²	46.5	73%	0.727	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-71.2	-21.4	177.2	75.6	0	0	0	0	112.9	D94	D94-S96 PolarHBondContact O-N 3.33Å; D94-S96 WeakPolarHBondContact OD1-CB 3.49Å; D94-S96 PolarHBondContact OD1-N 2.78Å; D94-S96 VanDerWaalsContact OD1-N 3.1Å; D94-S96 PolarHBondContact OD1-OG 2.79Å
97	K	97.6	Very high	98.2	Very high	127 Å²	127	41.3 Å²	41.3	55%	0.552	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-110.8	4.6	179	-61.6	-177.8	-168.1	132.8	0	112.9	D94 D95 S99	D94-K97 HydrophobicContact CB-CB 4.38Å; D94-K97 CarbonylContact O-C 3.55Å; D94-K97 PolarHBondContact O-N 2.84Å; D94-K97 VanDerWaalsContact O-N 3.11Å; D94-K97 PolarHBondContact OD1-N 2.93Å; D94-K97 VanDerWaalsContact OD2-CD 3.22Å; D94-K97 WeakPolarHBondContact OD2-CD 3.26Å; D94-K97 WeakPolarHBondContact OD2-CE 3.48Å; D94-K97 IonicContact OD2-NZ 3.32Å; D94-K97 PolarHBondContact OD2-NZ 2.81Å; D95-K97 PolarHBondContact O-N 2.8Å; K97-S99 PolarHBondContact O-N 2.97Å; K97-S99 VanDerWaalsContact O-N 3.15Å; K97-S99 PolarHBondContact O-OG 2.78Å
98	S	97.9	Very high	98.1	Very high	41 Å²	41	44.1 Å²	44.1	29%	0.287	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	45.1	-171.4	-57.5	0	0	0	0	112.3	A43 D94 D95	A43-S98 WeakPolarHBondContact CB-O 3.42Å; A43-S98 PolarHBondContact N-O 3.23Å; A43-S98 WeakPolarHBondContact O-CB 3.22Å; D94-S98 PolarHBondContact O-N 2.78Å; D94-S98 VanDerWaalsContact O-N 3.12Å; D95-S98 PolarHBondContact O-N 2.93Å
99	S	98.5	Very high	97.9	Very high	13 Å²	13	47 Å²	47	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.1	-170.2	-66.3	0	0	0	0	112.3	C41 R93 D94 K97	C41-S99 VanDerWaalsContact O-CA 3.26Å; C41-S99 WeakPolarHBondContact O-CA 3.17Å; R93-S99 CarbonylContact C-O 3.55Å; R93-S99 WeakPolarHBondContact CA-O 2.99Å; D94-S99 PolarHBondContact N-O 2.86Å; D94-S99 PolarHBondContact O-N 2.77Å; D94-S99 VanDerWaalsContact O-N 3.14Å; K97-S99 PolarHBondContact O-N 2.97Å; K97-S99 VanDerWaalsContact O-N 3.15Å; K97-S99 PolarHBondContact O-OG 2.78Å
100	V	98.7	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.7	169.7	67.4	0	0	0	0	109.8	S40 C41 F48 M53 W55 I70 I91 S92 C117	S40-V100 CarbonylContact C-O 3.49Å; S40-V100 WeakPolarHBondContact CA-O 3.41Å; C41-V100 HydrophobicContact CB-CG1 3.68Å; C41-V100 PolarHBondContact N-O 3.13Å; C41-V100 PolarHBondContact O-N 2.78Å; F48-V100 HydrophobicContact CZ-CB 4.48Å; M53-V100 HydrophobicContact CB-CB 4.25Å; M53-V100 HydrophobicContact CB-CG1 4.37Å; M53-V100 HydrophobicContact CB-CG2 4.11Å; M53-V100 HydrophobicContact CE-CG1 4.27Å; M53-V100 HydrophobicContact CG-CB 4.47Å; W55-V100 HydrophobicContact CZ2-CG1 4.25Å; I70-V100 HydrophobicContact CG2-CG2 3.81Å; I91-V100 HydrophobicContact CD1-CG2 4Å; I91-V100 HydrophobicContact CG1-CG2 3.87Å; S92-V100 CarbonylContact O-C 3.47Å; S92-V100 WeakPolarHBondContact O-CA 3.41Å; S92-V100 WeakPolarHBondContact O-CG2 3.45Å; V100-C117 HydrophobicContact CG1-CB 4.25Å
101	Y	98.7	Very high	97.6	Very high	38 Å²	38	50.1 Å²	50.1	15%	0.149	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.1	-178.6	-51.3	-87.1	0	0	0	110.7	L39 I91 S92 D94	L39-Y101 VanDerWaalsContact O-CA 3.25Å; L39-Y101 WeakPolarHBondContact O-CA 3.25Å; I91-Y101 WeakPolarHBondContact CA-O 3.4Å; S92-Y101 PolarHBondContact N-O 2.97Å; S92-Y101 PolarHBondContact O-N 3.07Å; D94-Y101 HydrophobicContact CB-CE2 3.84Å
102	L	98.8	Very high	97.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	105.1	170.9	-171	67.9	0	0	0	108.9	K38 L39 W55 V67 A68 F89 I91 M104 Y115	K38-L102 WeakPolarHBondContact CA-O 3.45Å; L39-L102 HydrophobicContact CB-CB 4.32Å; L39-L102 HydrophobicContact CD1-CD2 4.48Å; L39-L102 PolarHBondContact N-O 2.89Å; L39-L102 PolarHBondContact O-N 2.81Å; W55-L102 HydrophobicContact CB-CD2 4.19Å; W55-L102 HydrophobicContact CD2-CB 4.14Å; W55-L102 HydrophobicContact CD2-CD2 4.24Å; W55-L102 HydrophobicContact CG-CB 4.19Å; W55-L102 HydrophobicContact CG-CD1 4.49Å; W55-L102 HydrophobicContact CG-CD2 4Å; W55-L102 HydrophobicContact CG-CG 4.47Å; W55-L102 HydrophobicContact CZ2-CB 4.36Å; V67-L102 HydrophobicContact CG1-CD2 4.14Å; A68-L102 HydrophobicContact CB-CD1 4.28Å; F89-L102 HydrophobicContact CB-CD1 4.31Å; F89-L102 HydrophobicContact CD2-CD1 4.45Å; F89-L102 HydrophobicContact CD2-CD2 4.2Å; F89-L102 HydrophobicContact CD2-CG 4.46Å; I91-L102 HydrophobicContact CB-CD1 4.23Å; L102-M104 HydrophobicContact CD2-CG 3.99Å; L102-M104 HydrophobicContact CD2-SD 3.92Å; L102-M104 HydrophobicContact CG-CG 3.88Å; L102-M104 HydrophobicContact CG-SD 4.44Å; L102-Y115 HydrophobicContact CD2-CD1 3.92Å; L102-Y115 HydrophobicContact CD2-CE1 3.89Å
103	Q	98.5	Very high	97.4	Very high	59 Å²	59	53.2 Å²	53.2	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.9	169.4	179.6	62.4	39.5	0	0	108.3	F89 T90 N105	F89-Q103 CarbonylContact C-O 3.59Å; F89-Q103 VanDerWaalsContact CA-O 3.24Å; F89-Q103 WeakPolarHBondContact CA-O 3.23Å; T90-Q103 PolarHBondContact N-O 2.01Å; T90-Q103 PolarHBondContact O-N 2.98Å; Q103-N105 PolarHBondContact NE2-OD1 3.2Å
104	M	98.3	Very high	97.3	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.02	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.1	-178.8	-58	-176.8	-62.5	0	0	108.9	S36 M37 L39 F89 L102 L107 Y115	S36-M104 CarbonylContact C-O 3.56Å; S36-M104 WeakPolarHBondContact CA-O 3.45Å; S36-M104 WeakPolarHBondContact CB-O 3.42Å; M37-M104 HydrophobicContact CB-CE 3.82Å; M37-M104 HydrophobicContact CG-CE 3.86Å; M37-M104 PolarHBondContact N-O 2.92Å; M37-M104 PolarHBondContact O-N 3.14Å; M37-M104 HydrophobicContact SD-CE 3.88Å; L39-M104 HydrophobicContact CD1-CE 3.86Å; L39-M104 HydrophobicContact CD1-SD 4.22Å; L39-M104 HydrophobicContact CD2-CE 4.07Å; L39-M104 HydrophobicContact CG-CE 3.68Å; L39-M104 HydrophobicContact CG-SD 4.49Å; F89-M104 HydrophobicContact CD1-CB 3.74Å; F89-M104 HydrophobicContact CD1-CG 3.95Å; F89-M104 HydrophobicContact CD2-CG 3.83Å; F89-M104 HydrophobicContact CD2-SD 4.31Å; F89-M104 HydrophobicContact CE1-CB 3.59Å; F89-M104 HydrophobicContact CE1-CG 3.9Å; F89-M104 HydrophobicContact CE1-SD 4.47Å; F89-M104 HydrophobicContact CE2-CB 4.39Å; F89-M104 HydrophobicContact CE2-CG 3.78Å; F89-M104 HydrophobicContact CE2-SD 3.73Å; F89-M104 HydrophobicContact CG-CB 4.24Å; F89-M104 HydrophobicContact CG-CG 3.94Å; F89-M104 HydrophobicContact CZ-CB 3.94Å; F89-M104 HydrophobicContact CZ-CG 3.82Å; F89-M104 HydrophobicContact CZ-SD 3.84Å; L102-M104 HydrophobicContact CD2-CG 3.99Å; L102-M104 HydrophobicContact CD2-SD 3.92Å; L102-M104 HydrophobicContact CG-CG 3.88Å; L102-M104 HydrophobicContact CG-SD 4.44Å; M104-L107 HydrophobicContact CB-CD1 4.22Å; M104-L107 HydrophobicContact CB-CD2 3.86Å; M104-L107 HydrophobicContact CB-CG 4.13Å; M104-L107 HydrophobicContact CE-CD1 4.46Å; M104-L107 HydrophobicContact CE-CD2 4.47Å; M104-L107 HydrophobicContact SD-CD2 4.25Å; M104-Y115 HydrophobicContact SD-CE1 3.84Å; M104-Y115 HydrophobicContact SD-CE2 4.49Å
105	N	98	Very high	97.3	Very high	51 Å²	51	55.5 Å²	55.5	27%	0.273	31%	0.309	S	S	.	.			trans	-114.2	158.2	177.4	-49.9	-59.6	0	0	0	110.5	S36 R88 Q103 L107	S36-N105 PolarHBondContact OG-OD1 3Å; R88-N105 WeakPolarHBondContact O-CB 3.27Å; R88-N105 PolarHBondContact O-N 3.39Å; R88-N105 PolarHBondContact O-ND2 3.26Å; Q103-N105 PolarHBondContact NE2-OD1 3.2Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 3.46Å
106	S	97.7	Very high	97.4	Very high	67 Å²	67	57.3 Å²	57.3	47%	0.469	31%	0.312	S	S	.	.	S	Bend	trans	50.2	49.4	177.6	-54.3	0	0	0	0	112.3	G35 R88	G35-S106 PolarHBondContact O-N 3.44Å; G35-S106 VanDerWaalsContact O-N 3.14Å; R88-S106 PolarHBondContact NH1-O 3.09Å
107	L	97.7	Very high	97.4	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.068	28%	0.279	C	S	.	.			trans	-62.1	137.9	-176.7	-79.4	165	0	0	0	111.7	V31 G34 G35 M37 F89 M104 N105 D111	V31-L107 HydrophobicContact CB-CD1 4.47Å; V31-L107 HydrophobicContact CG1-CB 4.39Å; V31-L107 HydrophobicContact CG1-CD1 3.66Å; V31-L107 HydrophobicContact CG2-CD1 4.24Å; G34-L107 PolarHBondContact N-O 2.93Å; G35-L107 PolarHBondContact O-N 2.99Å; M37-L107 HydrophobicContact CB-CD1 3.78Å; F89-L107 HydrophobicContact CE1-CD2 3.8Å; F89-L107 HydrophobicContact CZ-CD2 3.72Å; M104-L107 HydrophobicContact CB-CD1 4.22Å; M104-L107 HydrophobicContact CB-CD2 3.86Å; M104-L107 HydrophobicContact CB-CG 4.13Å; M104-L107 HydrophobicContact CE-CD1 4.46Å; M104-L107 HydrophobicContact CE-CD2 4.47Å; M104-L107 HydrophobicContact SD-CD2 4.25Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 3.46Å; L107-D111 HydrophobicContact CD2-CB 3.7Å
108	R	96.1	Very high	97.4	Very high	139 Å²	139	49.1 Å²	49.1	53%	0.525	27%	0.269	S	S	.	.			trans	-112.7	164	179	-59.2	177.2	-177.2	173.3	0.3	109.9	E110 D111	R108-E110 PolarHBondContact O-N 3.15Å; R108-D111 PolarHBondContact N-OD2 3.06Å; R108-D111 WeakPolarHBondContact O-CB 3.4Å; R108-D111 PolarHBondContact O-N 3.11Å
109	A	94.6	Very high	97.2	Very high	87 Å²	87	54.5 Å²	54.5	72%	0.719	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-56.5	-38.3	175.2	0	0	0	0	0	111.9	D111 T112	A109-D111 PolarHBondContact O-N 3.15Å; A109-D111 VanDerWaalsContact O-N 3.14Å; A109-T112 VanDerWaalsContact O-CB 3.27Å; A109-T112 WeakPolarHBondContact O-CB 3.49Å; A109-T112 PolarHBondContact O-N 3.12Å; A109-T112 PolarHBondContact O-OG1 3.03Å
110	E	94.8	Very high	97.1	Very high	128 Å²	128	56.6 Å²	56.6	60%	0.598	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.5	-17	175.2	-60.8	170.2	-113.6	0	0	113.9	R108 T112	R108-E110 PolarHBondContact O-N 3.15Å; E110-T112 VanDerWaalsContact C-N 3.27Å
111	D	96.1	Very high	97.1	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.043	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-83.5	-4.8	176.9	-61.2	-48.8	0	0	0	113.7	R57 R88 F89 L107 R108 A109 G113 Y115	R57-D111 VanDerWaalsContact NH1-CA 3.28Å; R57-D111 IonicContact NH1-OD1 3.58Å; R57-D111 PolarHBondContact NH1-OD1 2.95Å; R57-D111 VanDerWaalsContact NH1-OD1 3.12Å; R88-D111 IonicContact CZ-OD1 3.2Å; R88-D111 IonicContact CZ-OD2 3.12Å; R88-D111 VanDerWaalsContact CZ-OD2 3.32Å; R88-D111 IonicContact NH1-OD1 2.78Å; R88-D111 IonicContact NH1-OD2 2.7Å; R88-D111 PolarHBondContact NH1-OD2 2.91Å; R88-D111 IonicContact NH2-OD1 3.34Å; R88-D111 PolarHBondContact NH2-OD1 2.85Å; R88-D111 IonicContact NH2-OD2 3.36Å; R88-D111 PolarHBondContact NH2-OD2 3.12Å; R88-D111 VanDerWaalsContact NH2-OD2 3.1Å; F89-D111 HydrophobicContact CZ-CB 4.18Å; L107-D111 HydrophobicContact CD2-CB 3.7Å; R108-D111 PolarHBondContact N-OD2 3.06Å; R108-D111 WeakPolarHBondContact O-CB 3.4Å; R108-D111 PolarHBondContact O-N 3.11Å; A109-D111 PolarHBondContact O-N 3.15Å; A109-D111 VanDerWaalsContact O-N 3.14Å; D111-G113 PolarHBondContact O-N 3.37Å; D111-Y115 WeakPolarHBondContact O-CE2 3.33Å; D111-Y115 PolarHBondContact O-OH 3.13Å
112	T	96.1	Very high	97	Very high	90 Å²	90	60.8 Å²	60.8	55%	0.552	32%	0.317	S	S	*	.			trans	-67.5	129.6	179.6	-53.4	0	0	0	0	110.8	P60 A109 E110	P60-T112 VanDerWaalsContact CD-O 3.3Å; P60-T112 WeakPolarHBondContact CD-O 3.36Å; A109-T112 VanDerWaalsContact O-CB 3.27Å; A109-T112 WeakPolarHBondContact O-CB 3.49Å; A109-T112 PolarHBondContact O-N 3.12Å; A109-T112 PolarHBondContact O-OG1 3.03Å; E110-T112 VanDerWaalsContact C-N 3.27Å
113	G	96.2	Very high	96.9	Very high	28 Å²	28	64.4 Å²	64.4	29%	0.289	34%	0.335	S	S	.	.	S	Bend	trans	173.2	-179.6	176.6	0	0	0	0	0	112.2	Q58 D111	Q58-G113 CarbonylContact O-C 3.59Å; Q58-G113 WeakPolarHBondContact O-CA 3.44Å; D111-G113 PolarHBondContact O-N 3.37Å
114	I	97.2	Very high	96.8	Very high	93 Å²	93	64.7 Å²	64.7	48%	0.477	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.1	169.2	-54.3	174	0	0	0	107.5	R57 Q58 Y116	R57-I114 CarbonylContact C-O 3.5Å; R57-I114 WeakPolarHBondContact CA-O 3.4Å; Q58-I114 HydrophobicContact CB-CB 4.39Å; Q58-I114 PolarHBondContact N-O 2.93Å; Q58-I114 PolarHBondContact O-N 3.21Å; I114-Y116 HydrophobicContact CB-CE2 4.02Å; I114-Y116 HydrophobicContact CG2-CD2 4.36Å; I114-Y116 HydrophobicContact CG2-CE1 3.91Å; I114-Y116 HydrophobicContact CG2-CE2 3.66Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.41Å; I114-Y116 WeakPolarHBondContact CG2-OH 3.41Å
115	Y	98.2	Very high	96.7	Very high	26 Å²	26	68.7 Å²	68.7	10%	0.102	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.7	-179.6	-77	-108.8	0	0	0	109.2	L39 V56 R57 V67 F89 L102 M104 D111	L39-Y115 VanDerWaalsContact CD1-CB 3.47Å; L39-Y115 HydrophobicContact CD1-CD1 3.83Å; L39-Y115 HydrophobicContact CD1-CD2 4.15Å; L39-Y115 HydrophobicContact CD1-CG 3.57Å; V56-Y115 WeakPolarHBondContact O-CA 3.42Å; R57-Y115 HydrophobicContact CB-CD1 4.2Å; R57-Y115 HydrophobicContact CB-CE1 4.06Å; R57-Y115 HydrophobicContact CB-CE2 4.43Å; R57-Y115 HydrophobicContact CB-CG 4.48Å; R57-Y115 WeakPolarHBondContact CD-OH 3.3Å; R57-Y115 HydrophobicContact CG-CD2 4.25Å; R57-Y115 HydrophobicContact CG-CE1 4.37Å; R57-Y115 HydrophobicContact CG-CE2 3.89Å; R57-Y115 PolarHBondContact NH1-OH 2.96Å; V67-Y115 HydrophobicContact CG1-CE1 4.39Å; V67-Y115 HydrophobicContact CG2-CE1 4.18Å; F89-Y115 HydrophobicContact CE2-CE1 4.28Å; L102-Y115 HydrophobicContact CD2-CD1 3.92Å; L102-Y115 HydrophobicContact CD2-CE1 3.89Å; M104-Y115 HydrophobicContact SD-CE1 3.84Å; M104-Y115 HydrophobicContact SD-CE2 4.49Å; D111-Y115 WeakPolarHBondContact O-CE2 3.33Å; D111-Y115 PolarHBondContact O-OH 3.13Å
116	Y	98.3	Very high	96.6	Very high	88 Å²	88	70 Å²	70	35%	0.345	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.4	178.1	-59.6	-77.3	0	0	0	109.1	E25 W55 V56 Q58 I114	E25-Y116 WeakPolarHBondContact OE1-CA 3.24Å; W55-Y116 WeakPolarHBondContact CA-O 3.31Å; V56-Y116 PolarHBondContact N-O 3.26Å; V56-Y116 PolarHBondContact O-N 2.92Å; Q58-Y116 HydrophobicContact CB-CE2 4Å; Q58-Y116 PolarHBondContact OE1-OH 3.23Å; I114-Y116 HydrophobicContact CB-CE2 4.02Å; I114-Y116 HydrophobicContact CG2-CD2 4.36Å; I114-Y116 HydrophobicContact CG2-CE1 3.91Å; I114-Y116 HydrophobicContact CG2-CE2 3.66Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.41Å; I114-Y116 WeakPolarHBondContact CG2-OH 3.41Å
117	C	98.2	Very high	96.5	Very high	4 Å²	4	70.2 Å²	70.2	3%	0.027	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	145.4	164.6	57.1	0	0	0	0	109.8	L23 E25 C41 D54 W55 V100	L23-C117 VanDerWaalsContact CD1-O 3.25Å; L23-C117 WeakPolarHBondContact CD1-O 3.48Å; E25-C117 VanDerWaalsContact CD-SG 3.56Å; E25-C117 HydrophobicContact CG-CB 4.47Å; E25-C117 PolarHBondContact OE1-N 3.35Å; E25-C117 PolarHBondContact OE1-SG 3.46Å; C41-C117 HydrophobicContact CB-CB 3.43Å; C41-C117 VanDerWaalsContact CB-CB 3.43Å; C41-C117 WeakPolarHBondContact CB-SG 3.27Å; C41-C117 WeakPolarHBondContact SG-CB 3.34Å; C41-C117 CovalentContact SG-SG 2.01Å; C41-C117 PolarHBondContact SG-SG 3.47Å; D54-C117 CarbonylContact O-C 3.55Å; D54-C117 VanDerWaalsContact O-CA 3.23Å; D54-C117 WeakPolarHBondContact O-CA 3.42Å; W55-C117 HydrophobicContact CD2-CB 4.38Å; W55-C117 HydrophobicContact CE3-CB 4.31Å; W55-C117 HydrophobicContact CH2-CB 4.28Å; W55-C117 HydrophobicContact CZ2-CB 4.33Å; W55-C117 HydrophobicContact CZ3-CB 4.26Å; V100-C117 HydrophobicContact CG1-CB 4.25Å
118	T	97.7	Very high	96.4	Very high	54 Å²	54	75 Å²	75	33%	0.331	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163.8	176.5	68.4	0	0	0	0	110.9	M53 D54 V56	M53-T118 WeakPolarHBondContact CA-O 3.44Å; M53-T118 WeakPolarHBondContact CE-O 3.46Å; D54-T118 WeakPolarHBondContact CB-OG1 3.39Å; D54-T118 PolarHBondContact N-O 2.85Å; D54-T118 PolarHBondContact O-N 3.27Å; V56-T118 HydrophobicContact CG2-CG2 4.28Å
119	R	93	Very high	96.4	Very high	155 Å²	155	69.2 Å²	69.2	59%	0.585	37%	0.37	S	S	*	.			trans	-132.9	0	178	74.1	171.1	-171.3	77	3.1	111.5	F46 W52 M53	F46-R119 HydrophobicContact CZ-CB 4.35Å; F46-R119 VanDerWaalsContact CZ-CD 3.44Å; F46-R119 HydrophobicContact CZ-CG 4.46Å; W52-R119 WeakPolarHBondContact O-CA 3.43Å; M53-R119 HydrophobicContact CE-CB 4.17Å; M53-R119 HydrophobicContact SD-CB 3.79Å

Retrieved 119 of 119 residues in 144.9 ms (Link to these results)

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