A0A075B5S2_MOUSE Loading...

Immunoglobulin heavy variable 7-1

AlphaFold DB , UniProt , Accession A0A075B5S2, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-1, Length 121 aa.

						>A0A075B5S2_MOUSE|A0A075B5S2|Ighv7-1
MKLWLNWVFLLTLLHGIQCEVKLVESGGGLVQSGRSLRLSCATSGFTFSDFYMEWVRQAPGKGLEWIAASRNKANDYTTEYSASVKGRFIVSRDTSQSILYLQMNALRAEDTAIYYCARDA
					

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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	53.9	Low	60.5	Low	229 Å²	229	149.5 Å²	149.5	100%	1.128	70%	0.703	S	S	*	*				0	14.3	0	-105.8	162	66.9	0	0	115.2
2	K	61	Low	60.6	Low	200 Å²	200	145.3 Å²	145.3	87%	0.87	70%	0.695	S	S	*	*			trans	-98.8	-5.7	-176.8	-79.3	-175.9	173.9	-176.9	0	115.6
3	L	59	Low	60.6	Low	151 Å²	151	145.1 Å²	145.1	79%	0.791	70%	0.699	S	S	*	*	S	Bend	trans	-87.7	-24.1	-179.8	-72.2	163.3	0	0	0	113.6
4	W	59.2	Low	60.7	Low	203 Å²	203	144.8 Å²	144.8	77%	0.769	70%	0.702	S	S	*	*	H	α-helix	trans	-62.8	-47.3	177.1	179.5	-41.1	0	0	0	111.3	N6 W7 V8	W4-N6 PolarHBondContact O-N 3.18Å; W4-N6 VanDerWaalsContact O-N 3.11Å; W4-W7 PolarHBondContact O-N 3.22Å; W4-V8 PolarHBondContact O-N 3.21Å
5	L	59.8	Low	60.7	Low	109 Å²	109	146.1 Å²	146.1	57%	0.571	71%	0.706	S	S	*	*	H	α-helix	trans	-55.9	-37	-173	-96.4	82.2	0	0	0	112	W7 V8 F9	L5-W7 VanDerWaalsContact C-N 3.28Å; L5-W7 PolarHBondContact O-N 2.83Å; L5-V8 PolarHBondContact O-N 3.03Å; L5-F9 HydrophobicContact CB-CE2 4.36Å; L5-F9 HydrophobicContact CD2-CE2 4.42Å; L5-F9 WeakPolarHBondContact O-CD2 3.37Å; L5-F9 PolarHBondContact O-N 3.47Å
6	N	59.6	Low	60.9	Low	105 Å²	105	141.3 Å²	141.3	56%	0.561	71%	0.706	S	S	*	*	H	α-helix	trans	-65.9	-29.5	-178.8	-151.3	27.5	0	0	0	113	W4 L10	W4-N6 PolarHBondContact O-N 3.18Å; W4-N6 VanDerWaalsContact O-N 3.11Å; N6-L10 PolarHBondContact O-N 2.77Å
7	W	62.1	Low	61.3	Low	198 Å²	198	141.6 Å²	141.6	75%	0.75	71%	0.709	S	S	*	*	H	α-helix	trans	-75.4	-29	176.4	-73.6	14.9	0	0	0	112.5	W4 L5 L10 L11	W4-W7 PolarHBondContact O-N 3.22Å; L5-W7 VanDerWaalsContact C-N 3.28Å; L5-W7 PolarHBondContact O-N 2.83Å; W7-L10 PolarHBondContact O-N 3.49Å; W7-L11 PolarHBondContact O-N 3.44Å
8	V	65.5	Low	61.4	Low	68 Å²	68	141.4 Å²	141.4	41%	0.412	71%	0.705	S	S	.	*	H	α-helix	trans	-69.5	-39.4	175	-179.3	0	0	0	0	110.9	W4 L5 L10 L11 T12	W4-V8 PolarHBondContact O-N 3.21Å; L5-V8 PolarHBondContact O-N 3.03Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 PolarHBondContact O-N 2.98Å; V8-L11 PolarHBondContact O-N 2.81Å; V8-T12 PolarHBondContact O-N 2.86Å
9	F	61.3	Low	62.2	Low	135 Å²	135	139.8 Å²	139.8	59%	0.592	71%	0.707	S	S	*	*	H	α-helix	trans	-67.6	-27.3	176.2	-71.1	-72.2	0	0	0	113.6	L5 T12	L5-F9 HydrophobicContact CB-CE2 4.36Å; L5-F9 HydrophobicContact CD2-CE2 4.42Å; L5-F9 WeakPolarHBondContact O-CD2 3.37Å; L5-F9 PolarHBondContact O-N 3.47Å; F9-T12 PolarHBondContact O-OG1 3.47Å
10	L	63.5	Low	63.6	Low	117 Å²	117	138.7 Å²	138.7	61%	0.613	70%	0.699	S	S	*	*	H	α-helix	trans	-73	-26.2	173	-88.6	152.5	0	0	0	112.9	N6 W7 V8	N6-L10 PolarHBondContact O-N 2.77Å; W7-L10 PolarHBondContact O-N 3.49Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 PolarHBondContact O-N 2.98Å
11	L	60.7	Low	65.1	Low	130 Å²	130	134.9 Å²	134.9	68%	0.681	68%	0.683	S	S	*	*	H	α-helix	trans	-82.1	-23.5	-180	-75	163.4	0	0	0	113.7	W7 V8	W7-L11 PolarHBondContact O-N 3.44Å; V8-L11 PolarHBondContact O-N 2.81Å
12	T	62.2	Low	67.1	Low	98 Å²	98	127 Å²	127	60%	0.601	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-13	-175.7	52.9	0	0	0	0	114.7	V8 F9 L14	V8-T12 PolarHBondContact O-N 2.86Å; F9-T12 PolarHBondContact O-OG1 3.47Å; T12-L14 PolarHBondContact O-N 2.7Å
13	L	60.1	Low	68.9	Low	143 Å²	143	119.6 Å²	119.6	75%	0.749	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-0.6	-172.6	-75.5	174.2	0	0	0	115.9
14	L	61.8	Low	70.8	Confident	141 Å²	141	116.4 Å²	116.4	74%	0.738	60%	0.599	S	S	*	*	S	Bend	trans	-117.2	12.5	-165.9	-70.1	173.9	0	0	0	117	T12	T12-L14 PolarHBondContact O-N 2.7Å
15	H	60.4	Low	72.6	Confident	165 Å²	165	110.2 Å²	110.2	76%	0.764	58%	0.579	S	S	*	*			trans	-123.9	54.6	174.6	-55.4	97.1	0	0	0	112.3	I17	H15-I17 PolarHBondContact O-N 3.25Å
16	G	65.1	Low	74.5	Confident	68 Å²	68	108.1 Å²	108.1	70%	0.701	57%	0.573	S	S	*	*			trans	-65.3	110.9	155.9	0	0	0	0	0	108	Q18	G16-Q18 PolarHBondContact O-N 3.02Å
17	I	67.6	Low	76.2	Confident	148 Å²	148	104.9 Å²	104.9	76%	0.759	56%	0.564	S	S	*	*			trans	-63.4	108	169.3	-61.7	175.4	0	0	0	106.3	H15 C19	H15-I17 PolarHBondContact O-N 3.25Å; I17-C19 VanDerWaalsContact CG2-SG 3.59Å; I17-C19 PolarHBondContact O-N 3.16Å; I17-C19 VanDerWaalsContact O-N 3.1Å
18	Q	61.6	Low	77.8	Confident	137 Å²	137	98.2 Å²	98.2	64%	0.64	56%	0.557	S	S	*	*			trans	-77.9	94	171.9	-67.4	-159	-34.8	0	0	108.4	G16 E20	G16-Q18 PolarHBondContact O-N 3.02Å; Q18-E20 PolarHBondContact O-N 3.16Å
19	C	77.1	Confident	79.1	Confident	111 Å²	111	97.8 Å²	97.8	75%	0.75	57%	0.567	S	S	*	*			trans	-78.4	17.5	170.4	-67.8	0	0	0	0	113	I17	I17-C19 VanDerWaalsContact CG2-SG 3.59Å; I17-C19 PolarHBondContact O-N 3.16Å; I17-C19 VanDerWaalsContact O-N 3.1Å
20	E	91.4	Very high	80.7	Confident	117 Å²	117	100 Å²	100	55%	0.547	58%	0.583	S	S	.	*			trans	-84.3	127.9	-177.3	-173	-180	-159	0	0	110.4	Q18 K22 G45	Q18-E20 PolarHBondContact O-N 3.16Å; E20-K22 HydrophobicContact CG-CG 4.25Å; E20-K22 PolarHBondContact O-N 2.77Å; E20-K22 WeakPolarHBondContact OE2-CE 3.24Å; E20-K22 IonicContact OE2-NZ 2.89Å; E20-G45 WeakPolarHBondContact O-CA 3.4Å
21	V	93.8	Very high	82.2	Confident	59 Å²	59	97 Å²	97	36%	0.358	57%	0.57	S	S	.	*			trans	-71.6	124.1	169.7	171.5	0	0	0	0	108.5	L23 S44 F46	V21-L23 HydrophobicContact CG1-CD1 3.71Å; V21-S44 WeakPolarHBondContact CA-O 3.31Å; V21-F46 HydrophobicContact CG1-CD1 3.78Å; V21-F46 HydrophobicContact CG1-CE1 3.95Å; V21-F46 HydrophobicContact CG2-CD1 4.25Å
22	K	96.6	Very high	83.7	Confident	63 Å²	63	98.2 Å²	98.2	27%	0.274	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	137	177.5	-54.4	-178.4	-178	175.7	0	110.6	E20 V24 T43 S44	E20-K22 HydrophobicContact CG-CG 4.25Å; E20-K22 PolarHBondContact O-N 2.77Å; E20-K22 WeakPolarHBondContact OE2-CE 3.24Å; E20-K22 IonicContact OE2-NZ 2.89Å; K22-V24 HydrophobicContact CB-CG2 4.5Å; K22-T43 CarbonylContact O-C 3.44Å; K22-T43 VanDerWaalsContact O-CA 3.26Å; K22-T43 WeakPolarHBondContact O-CA 3.25Å; K22-S44 WeakPolarHBondContact CB-OG 3.34Å; K22-S44 PolarHBondContact N-O 2.9Å; K22-S44 PolarHBondContact O-N 3.23Å
23	L	98.3	Very high	85.2	Confident	46 Å²	46	97.9 Å²	97.9	24%	0.241	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.3	122.3	170.7	-80.5	74.5	0	0	0	105.3	V21 A42 T43 F46 M53 C117 R119	V21-L23 HydrophobicContact CG1-CD1 3.71Å; L23-A42 WeakPolarHBondContact CA-O 3.5Å; L23-T43 HydrophobicContact CG-CG2 4.18Å; L23-F46 HydrophobicContact CD1-CE1 4.04Å; L23-M53 HydrophobicContact CD2-CE 4.3Å; L23-C117 HydrophobicContact CD2-CB 4.34Å; L23-C117 VanDerWaalsContact CD2-O 3.31Å; L23-C117 WeakPolarHBondContact CD2-O 3.27Å; L23-R119 HydrophobicContact CD2-CB 4.49Å
24	V	98.3	Very high	86.9	Confident	84 Å²	84	93.1 Å²	93.1	51%	0.509	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.6	103.7	-173.2	-176	0	0	0	0	109.6	K22 C41 A42	K22-V24 HydrophobicContact CB-CG2 4.5Å; V24-C41 WeakPolarHBondContact O-CA 3.48Å; V24-A42 PolarHBondContact N-O 3.4Å; V24-A42 PolarHBondContact O-N 2.86Å
25	E	98.6	Very high	88.5	Confident	73 Å²	73	94.1 Å²	94.1	34%	0.341	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79	141.5	179.3	-59.8	86.7	164.1	0	0	112.5	S40 W55 Y116 C117	E25-S40 CarbonylContact C-O 3.5Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.41Å; E25-W55 HydrophobicContact CG-CH2 4.16Å; E25-W55 HydrophobicContact CG-CZ3 3.97Å; E25-Y116 WeakPolarHBondContact OE1-CA 3.4Å; E25-C117 VanDerWaalsContact CD-SG 3.55Å; E25-C117 HydrophobicContact CG-CB 4.43Å; E25-C117 PolarHBondContact OE1-N 2.8Å; E25-C117 PolarHBondContact OE1-SG 3.06Å
26	S	98.3	Very high	90.3	Very high	64 Å²	64	89.3 Å²	89.3	45%	0.448	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	174.1	174.2	72.4	0	0	0	0	112	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.28Å; S26-S40 PolarHBondContact N-O 3.05Å; S26-S40 PolarHBondContact O-N 2.83Å; S26-S40 PolarHBondContact OG-OG 2.89Å
27	G	96.7	Very high	91.8	Very high	37 Å²	37	87.8 Å²	87.8	38%	0.381	51%	0.514	S	S	.	.			trans	86	6.3	-178.7	0	0	0	0	0	114.6	L37 L39	G27-L37 VanDerWaalsContact O-CD1 3.28Å; G27-L37 WeakPolarHBondContact O-CD1 3.02Å; G27-L37 WeakPolarHBondContact O-CG 3.43Å; G27-L39 WeakPolarHBondContact O-CD2 3.34Å
28	G	94	Very high	93.3	Very high	59 Å²	59	86.6 Å²	86.6	61%	0.608	50%	0.5	S	S	*	.			trans	-64.9	167.3	169.8	0	0	0	0	0	112.5
29	G	94.5	Very high	95	Very high	59 Å²	59	80.6 Å²	80.6	61%	0.608	47%	0.472	S	S	*	.			trans	160.3	168.9	177.1	0	0	0	0	0	112.5
30	L	94.1	Very high	96.1	Very high	180 Å²	180	76.3 Å²	76.3	94%	0.942	44%	0.444	S	S	*	.			trans	-82.8	124	172.9	-176.3	65.3	0	0	0	109.4
31	V	94.1	Very high	96.4	Very high	55 Å²	55	70.8 Å²	70.8	33%	0.333	42%	0.418	S	S	.	.			trans	-131.9	149.8	174.9	-64.5	0	0	0	0	110.2	L37 L107	V31-L37 HydrophobicContact CG1-CD1 4.02Å; V31-L37 HydrophobicContact CG2-CB 4.42Å; V31-L107 HydrophobicContact CG2-CD1 3.36Å
32	Q	92.6	Very high	96.6	Very high	155 Å²	155	70 Å²	70	72%	0.724	42%	0.417	S	S	*	.			trans	-68.1	149.5	175.2	-67.4	176.4	-8	0	0	110.8	R35	Q32-R35 HydrophobicContact CB-CG 4.06Å; Q32-R35 VanDerWaalsContact O-CB 3.24Å; Q32-R35 WeakPolarHBondContact O-CB 3.3Å; Q32-R35 WeakPolarHBondContact O-CG 3.11Å; Q32-R35 PolarHBondContact O-N 3.33Å
33	S	93.2	Very high	96.7	Very high	91 Å²	91	67.6 Å²	67.6	64%	0.636	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	145.3	172.6	-172.7	0	0	0	0	111.7	R35 L107	S33-R35 PolarHBondContact O-N 2.89Å; S33-L107 CarbonylContact C-O 3.53Å; S33-L107 WeakPolarHBondContact CA-O 3.46Å; S33-L107 PolarHBondContact OG-O 2.97Å
34	G	95.9	Very high	96.6	Very high	43 Å²	43	68.1 Å²	68.1	44%	0.443	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-9	-176.5	0	0	0	0	0	114.9	L107	G34-L107 PolarHBondContact N-O 3.22Å
35	R	96.9	Very high	96.4	Very high	162 Å²	162	66.2 Å²	66.2	61%	0.611	41%	0.413	S	S	*	.			trans	-78.4	177.8	170	-59.5	-69.8	99.8	159.2	5.4	110.4	Q32 S33 A106 L107	Q32-R35 HydrophobicContact CB-CG 4.06Å; Q32-R35 VanDerWaalsContact O-CB 3.24Å; Q32-R35 WeakPolarHBondContact O-CB 3.3Å; Q32-R35 WeakPolarHBondContact O-CG 3.11Å; Q32-R35 PolarHBondContact O-N 3.33Å; S33-R35 PolarHBondContact O-N 2.89Å; R35-A106 PolarHBondContact O-N 2.67Å; R35-L107 PolarHBondContact O-N 3.08Å
36	S	96.9	Very high	96.2	Very high	64 Å²	64	64.4 Å²	64.4	45%	0.448	40%	0.404	S	S	.	.			trans	-120	151.9	177.2	-52.1	0	0	0	0	110.5	M104 N105	S36-M104 CarbonylContact C-O 3.58Å; S36-M104 WeakPolarHBondContact CA-O 3.49Å; S36-M104 VanDerWaalsContact CB-O 3.3Å; S36-M104 WeakPolarHBondContact CB-O 3.42Å; S36-N105 PolarHBondContact OG-OD1 3.31Å
37	L	97.3	Very high	96	Very high	36 Å²	36	65.2 Å²	65.2	19%	0.188	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.4	176	-173.9	65.8	0	0	0	108.4	G27 V31 L39 M104 L107	G27-L37 VanDerWaalsContact O-CD1 3.28Å; G27-L37 WeakPolarHBondContact O-CD1 3.02Å; G27-L37 WeakPolarHBondContact O-CG 3.43Å; V31-L37 HydrophobicContact CG1-CD1 4.02Å; V31-L37 HydrophobicContact CG2-CB 4.42Å; L37-L39 HydrophobicContact CD2-CD2 4.06Å; L37-L39 HydrophobicContact CG-CD2 4.36Å; L37-M104 HydrophobicContact CB-CE 3.79Å; L37-M104 HydrophobicContact CD2-CE 3.64Å; L37-M104 HydrophobicContact CG-CE 3.92Å; L37-M104 PolarHBondContact N-O 3Å; L37-M104 WeakPolarHBondContact O-CB 3.48Å; L37-M104 PolarHBondContact O-N 3.17Å; L37-L107 HydrophobicContact CB-CD1 3.65Å
38	R	98.3	Very high	96	Very high	123 Å²	123	63.8 Å²	63.8	46%	0.464	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.9	175	-174.6	177.4	177.3	-179.6	0.1	109.6	Y101 L102	R38-Y101 HydrophobicContact CG-CD1 4.49Å; R38-Y101 VanDerWaalsContact NH2-CE1 3.29Å; R38-Y101 VanDerWaalsContact NH2-CE2 3.28Å; R38-Y101 VanDerWaalsContact NH2-CZ 3.34Å; R38-L102 WeakPolarHBondContact CA-O 3.48Å
39	L	98.7	Very high	96.2	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.058	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	154.1	168.7	-49.9	-176.9	0	0	0	109.9	S26 G27 L37 W55 Y101 L102 M104 Y115	S26-L39 WeakPolarHBondContact O-CA 3.28Å; G27-L39 WeakPolarHBondContact O-CD2 3.34Å; L37-L39 HydrophobicContact CD2-CD2 4.06Å; L37-L39 HydrophobicContact CG-CD2 4.36Å; L39-W55 HydrophobicContact CB-CH2 3.74Å; L39-W55 HydrophobicContact CB-CZ2 4.01Å; L39-W55 HydrophobicContact CB-CZ3 4.28Å; L39-W55 HydrophobicContact CD1-CE3 4.48Å; L39-W55 HydrophobicContact CD1-CH2 4.42Å; L39-W55 HydrophobicContact CD1-CZ3 4.12Å; L39-Y101 WeakPolarHBondContact O-CA 3.46Å; L39-L102 HydrophobicContact CB-CB 4.22Å; L39-L102 HydrophobicContact CD1-CD2 4.3Å; L39-L102 PolarHBondContact N-O 3Å; L39-L102 PolarHBondContact O-N 2.83Å; L39-M104 HydrophobicContact CD1-CE 3.83Å; L39-M104 HydrophobicContact CD1-SD 4.1Å; L39-M104 HydrophobicContact CD2-CE 3.81Å; L39-M104 HydrophobicContact CG-CE 3.55Å; L39-M104 HydrophobicContact CG-SD 4.3Å; L39-Y115 VanDerWaalsContact CD1-CB 3.47Å; L39-Y115 HydrophobicContact CD1-CD1 4Å; L39-Y115 HydrophobicContact CD1-CD2 4.05Å; L39-Y115 HydrophobicContact CD1-CG 3.58Å
40	S	98.8	Very high	96.3	Very high	22 Å²	22	63.3 Å²	63.3	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.7	169.9	69.8	0	0	0	0	110.4	E25 S26 L100	E25-S40 CarbonylContact C-O 3.5Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.41Å; S26-S40 PolarHBondContact N-O 3.05Å; S26-S40 PolarHBondContact O-N 2.83Å; S26-S40 PolarHBondContact OG-OG 2.89Å; S40-L100 CarbonylContact C-O 3.47Å; S40-L100 VanDerWaalsContact CA-O 3.31Å; S40-L100 WeakPolarHBondContact CA-O 3.29Å
41	C	98.8	Very high	96.5	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	105.9	174.5	166.7	0	0	0	0	108.2	V24 W55 I99 L100 C117	V24-C41 WeakPolarHBondContact O-CA 3.48Å; C41-W55 HydrophobicContact CB-CH2 3.82Å; C41-W55 HydrophobicContact CB-CZ2 3.79Å; C41-I99 WeakPolarHBondContact O-CA 3.49Å; C41-L100 HydrophobicContact CB-CB 4.28Å; C41-L100 PolarHBondContact N-O 3.18Å; C41-L100 PolarHBondContact O-N 3.25Å; C41-C117 HydrophobicContact CB-CB 3.4Å; C41-C117 WeakPolarHBondContact CB-SG 3.48Å; C41-C117 WeakPolarHBondContact SG-CB 3.28Å; C41-C117 CovalentContact SG-SG 2.01Å; C41-C117 PolarHBondContact SG-SG 3.12Å
42	A	98.5	Very high	96.7	Very high	42 Å²	42	56.6 Å²	56.6	35%	0.347	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.4	174.9	0	0	0	0	0	109.7	L23 V24 I99	L23-A42 WeakPolarHBondContact CA-O 3.5Å; V24-A42 PolarHBondContact N-O 3.4Å; V24-A42 PolarHBondContact O-N 2.86Å; A42-I99 HydrophobicContact CB-CG1 4.37Å
43	T	97.7	Very high	97	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.4	-173.9	68.7	0	0	0	0	112.5	K22 L23 F46 F48 M53 S98	K22-T43 CarbonylContact O-C 3.44Å; K22-T43 VanDerWaalsContact O-CA 3.26Å; K22-T43 WeakPolarHBondContact O-CA 3.25Å; L23-T43 HydrophobicContact CG-CG2 4.18Å; T43-F46 HydrophobicContact CG2-CZ 4.11Å; T43-F48 HydrophobicContact CG2-CD2 4.2Å; T43-F48 HydrophobicContact CG2-CE2 4.13Å; T43-F48 WeakPolarHBondContact OG1-CD2 3.47Å; T43-M53 HydrophobicContact CG2-CE 3.92Å; T43-S98 PolarHBondContact N-O 3.18Å; T43-S98 WeakPolarHBondContact O-CB 3.39Å; T43-S98 WeakPolarHBondContact OG1-CB 3.09Å; T43-S98 PolarHBondContact OG1-O 3.01Å
44	S	96	Very high	97.2	Very high	57 Å²	57	46.6 Å²	46.6	40%	0.399	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.4	176.3	67.2	0	0	0	0	111.8	V21 K22 F46	V21-S44 WeakPolarHBondContact CA-O 3.31Å; K22-S44 WeakPolarHBondContact CB-OG 3.34Å; K22-S44 PolarHBondContact N-O 2.9Å; K22-S44 PolarHBondContact O-N 3.23Å; S44-F46 WeakPolarHBondContact O-CD1 3.41Å
45	G	94.3	Very high	97.3	Very high	45 Å²	45	44.6 Å²	44.6	46%	0.464	24%	0.242	S	C	.	.	S	Bend	trans	85	8.8	177.4	0	0	0	0	0	114.8	E20	E20-G45 WeakPolarHBondContact O-CA 3.4Å
46	F	94.1	Very high	97.4	Very high	35 Å²	35	37.9 Å²	37.9	15%	0.154	22%	0.219	C	C	.	.	S	Bend	trans	-157.3	165.5	173.8	64	-80.3	0	0	0	111.1	V21 L23 T43 S44 F48 F51 M53 R119	V21-F46 HydrophobicContact CG1-CD1 3.78Å; V21-F46 HydrophobicContact CG1-CE1 3.95Å; V21-F46 HydrophobicContact CG2-CD1 4.25Å; L23-F46 HydrophobicContact CD1-CE1 4.04Å; T43-F46 HydrophobicContact CG2-CZ 4.11Å; S44-F46 WeakPolarHBondContact O-CD1 3.41Å; F46-F48 HydrophobicContact CE2-CB 4.48Å; F46-F48 HydrophobicContact CE2-CD2 4.33Å; F46-F48 HydrophobicContact CZ-CD2 4.43Å; F46-F48 PolarHBondContact O-N 2.98Å; F46-F51 HydrophobicContact CB-CE2 4.24Å; F46-F51 AromaticContact CD2-CD2 3.52Å; F46-F51 HydrophobicContact CD2-CD2 3.52Å; F46-F51 AromaticContact CD2-CE2 3.93Å; F46-F51 HydrophobicContact CD2-CE2 3.93Å; F46-F51 HydrophobicContact CD2-CG 4.18Å; F46-F51 HydrophobicContact CE2-CB 4.33Å; F46-F51 HydrophobicContact CE2-CD2 4.11Å; F46-F51 HydrophobicContact CE2-CG 4.4Å; F46-F51 HydrophobicContact CG-CD2 4.5Å; F46-M53 HydrophobicContact CE2-SD 3.92Å; F46-M53 HydrophobicContact CZ-CE 4.26Å; F46-M53 HydrophobicContact CZ-SD 3.99Å; F46-R119 VanDerWaalsContact CB-NH1 3.33Å; F46-R119 VanDerWaalsContact CE2-CD 3.41Å; F46-R119 HydrophobicContact CE2-CG 4.03Å; F46-R119 HydrophobicContact CZ-CG 4.28Å
47	T	95.5	Very high	97.5	Very high	80 Å²	80	35.6 Å²	35.6	49%	0.491	20%	0.2	S	C	.	.			trans	-74.6	94.6	174.1	-49.7	0	0	0	0	110	S49 D50 F51	T47-S49 WeakPolarHBondContact CG2-OG 3.18Å; T47-S49 PolarHBondContact O-N 2.9Å; T47-S49 VanDerWaalsContact O-N 3.08Å; T47-D50 VanDerWaalsContact CB-OD2 3.27Å; T47-D50 WeakPolarHBondContact CB-OD2 3.41Å; T47-D50 HydrophobicContact CG2-CB 4.35Å; T47-D50 VanDerWaalsContact CG2-CG 3.46Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.38Å; T47-D50 PolarHBondContact O-N 3.29Å; T47-F51 WeakPolarHBondContact O-CD2 3.29Å
48	F	96.8	Very high	97.5	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.031	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-47.9	-42.7	-175	177.1	-116.4	0	0	0	113.5	T43 F46 D50 F51 M53 R93 D94 T95 L100	T43-F48 HydrophobicContact CG2-CD2 4.2Å; T43-F48 HydrophobicContact CG2-CE2 4.13Å; T43-F48 WeakPolarHBondContact OG1-CD2 3.47Å; F46-F48 HydrophobicContact CE2-CB 4.48Å; F46-F48 HydrophobicContact CE2-CD2 4.33Å; F46-F48 HydrophobicContact CZ-CD2 4.43Å; F46-F48 PolarHBondContact O-N 2.98Å; F48-D50 PolarHBondContact O-N 2.76Å; F48-F51 PolarHBondContact O-N 3.43Å; F48-M53 HydrophobicContact CD2-CG 3.99Å; F48-M53 HydrophobicContact CD2-SD 4.04Å; F48-M53 HydrophobicContact CE2-CB 4.41Å; F48-M53 HydrophobicContact CE2-CE 4.23Å; F48-M53 HydrophobicContact CE2-CG 3.55Å; F48-M53 HydrophobicContact CE2-SD 4.02Å; F48-M53 HydrophobicContact CZ-CG 4.29Å; F48-R93 HydrophobicContact CE1-CB 4.03Å; F48-R93 HydrophobicContact CE1-CG 4.43Å; F48-R93 VanDerWaalsContact CE1-NE 3.27Å; F48-R93 HydrophobicContact CZ-CB 3.94Å; F48-R93 VanDerWaalsContact CZ-NH2 3.28Å; F48-R93 PolarHBondContact O-NH2 2.79Å; F48-D94 WeakPolarHBondContact CE1-O 3.48Å; F48-T95 HydrophobicContact CD1-CG2 4.31Å; F48-T95 HydrophobicContact CE1-CG2 4.33Å; F48-L100 HydrophobicContact CZ-CB 4.43Å
49	S	97.3	Very high	97.5	Very high	28 Å²	28	32.7 Å²	32.7	20%	0.196	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.3	-178	56.1	0	0	0	0	115.1	T47 N72 K73	T47-S49 WeakPolarHBondContact CG2-OG 3.18Å; T47-S49 PolarHBondContact O-N 2.9Å; T47-S49 VanDerWaalsContact O-N 3.08Å; S49-N72 WeakPolarHBondContact O-CA 3.45Å; S49-N72 WeakPolarHBondContact O-CB 3.33Å; S49-K73 WeakPolarHBondContact O-CB 3.36Å; S49-K73 PolarHBondContact O-N 3.18Å
50	D	96.8	Very high	97.4	Very high	80 Å²	80	37.6 Å²	37.6	43%	0.428	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-89.9	-11.4	-168.6	-61.2	-5.4	0	0	0	112.2	T47 F48 N72	T47-D50 VanDerWaalsContact CB-OD2 3.27Å; T47-D50 WeakPolarHBondContact CB-OD2 3.41Å; T47-D50 HydrophobicContact CG2-CB 4.35Å; T47-D50 VanDerWaalsContact CG2-CG 3.46Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.38Å; T47-D50 PolarHBondContact O-N 3.29Å; F48-D50 PolarHBondContact O-N 2.76Å; D50-N72 WeakPolarHBondContact O-CB 2.97Å; D50-N72 PolarHBondContact O-ND2 3.25Å
51	F	97.8	Very high	97.3	Very high	49 Å²	49	40.8 Å²	40.8	22%	0.215	26%	0.264	C	S	.	.	S	Bend	trans	-113.2	155.5	-176.3	-67.1	-94	0	0	0	112.9	F46 T47 F48 M53 R93 R119	F46-F51 HydrophobicContact CB-CE2 4.24Å; F46-F51 AromaticContact CD2-CD2 3.52Å; F46-F51 HydrophobicContact CD2-CD2 3.52Å; F46-F51 AromaticContact CD2-CE2 3.93Å; F46-F51 HydrophobicContact CD2-CE2 3.93Å; F46-F51 HydrophobicContact CD2-CG 4.18Å; F46-F51 HydrophobicContact CE2-CB 4.33Å; F46-F51 HydrophobicContact CE2-CD2 4.11Å; F46-F51 HydrophobicContact CE2-CG 4.4Å; F46-F51 HydrophobicContact CG-CD2 4.5Å; T47-F51 WeakPolarHBondContact O-CD2 3.29Å; F48-F51 PolarHBondContact O-N 3.43Å; F51-M53 HydrophobicContact CB-SD 4.31Å; F51-R93 PolarHBondContact O-NH1 3.02Å; F51-R119 HydrophobicContact CB-CG 3.53Å; F51-R119 HydrophobicContact CD1-CG 3.65Å; F51-R119 HydrophobicContact CG-CG 3.68Å
52	Y	98.1	Very high	97.2	Very high	46 Å²	46	47.9 Å²	47.9	18%	0.18	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.4	167.8	-74.5	30	0	0	0	107.4	R71 N72 N75 R119 D120	Y52-R71 HydrophobicContact CD1-CB 4.09Å; Y52-R71 HydrophobicContact CD2-CB 4.41Å; Y52-R71 HydrophobicContact CD2-CG 4.01Å; Y52-R71 HydrophobicContact CE1-CB 3.86Å; Y52-R71 HydrophobicContact CE1-CG 4.25Å; Y52-R71 HydrophobicContact CE2-CB 4.22Å; Y52-R71 HydrophobicContact CE2-CG 3.69Å; Y52-R71 HydrophobicContact CG-CB 4.35Å; Y52-R71 HydrophobicContact CG-CG 4.44Å; Y52-R71 PolarHBondContact OH-NH1 2.77Å; Y52-N72 HydrophobicContact CD1-CB 3.83Å; Y52-N72 HydrophobicContact CE1-CB 4.04Å; Y52-N72 WeakPolarHBondContact CE1-OD1 2.97Å; Y52-N75 PolarHBondContact OH-ND2 2.58Å; Y52-R119 WeakPolarHBondContact O-CA 3.21Å; Y52-D120 PolarHBondContact N-O 3.03Å; Y52-D120 PolarHBondContact O-N 2.77Å
53	M	98.5	Very high	97.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122	-176.4	-61.8	-58.5	-43.4	0	0	108.5	L23 T43 F46 F48 F51 A69 S70 L100 A118 R119	L23-M53 HydrophobicContact CD2-CE 4.3Å; T43-M53 HydrophobicContact CG2-CE 3.92Å; F46-M53 HydrophobicContact CE2-SD 3.92Å; F46-M53 HydrophobicContact CZ-CE 4.26Å; F46-M53 HydrophobicContact CZ-SD 3.99Å; F48-M53 HydrophobicContact CD2-CG 3.99Å; F48-M53 HydrophobicContact CD2-SD 4.04Å; F48-M53 HydrophobicContact CE2-CB 4.41Å; F48-M53 HydrophobicContact CE2-CE 4.23Å; F48-M53 HydrophobicContact CE2-CG 3.55Å; F48-M53 HydrophobicContact CE2-SD 4.02Å; F48-M53 HydrophobicContact CZ-CG 4.29Å; F51-M53 HydrophobicContact CB-SD 4.31Å; M53-A69 CarbonylContact O-C 3.54Å; M53-A69 WeakPolarHBondContact O-CA 3.09Å; M53-S70 PolarHBondContact N-O 3.01Å; M53-S70 PolarHBondContact O-N 3.11Å; M53-L100 HydrophobicContact CB-CD1 3.81Å; M53-L100 HydrophobicContact CB-CD2 3.9Å; M53-L100 HydrophobicContact CB-CG 4.3Å; M53-A118 WeakPolarHBondContact CE-O 3.43Å; M53-R119 HydrophobicContact CE-CB 4.21Å; M53-R119 HydrophobicContact SD-CB 4.09Å; M53-R119 HydrophobicContact SD-CG 3.93Å
54	E	98.5	Very high	97.2	Very high	35 Å²	35	53.7 Å²	53.7	16%	0.164	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.3	-168	-47	-159.2	131.1	0	0	111.8	W66 A68 A69 C117 A118	E54-W66 VanDerWaalsContact CD-NE1 3.3Å; E54-W66 PolarHBondContact OE1-NE1 2.91Å; E54-W66 VanDerWaalsContact OE2-CD1 3.31Å; E54-W66 PolarHBondContact OE2-NE1 3.45Å; E54-A68 CarbonylContact C-O 3.57Å; E54-A68 WeakPolarHBondContact CA-O 3.36Å; E54-A69 HydrophobicContact CB-CB 4.42Å; E54-A69 HydrophobicContact CG-CB 3.95Å; E54-C117 CarbonylContact O-C 3.59Å; E54-C117 WeakPolarHBondContact O-CA 3.16Å; E54-A118 HydrophobicContact CB-CB 4.39Å; E54-A118 PolarHBondContact N-O 3.33Å; E54-A118 PolarHBondContact O-N 2.83Å
55	W	98.8	Very high	97.3	Very high	1 Å²	1	54 Å²	54	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.1	163.5	-75.9	99.4	0	0	0	109.3	E25 L39 C41 I67 A68 L100 L102 Y116 C117	E25-W55 HydrophobicContact CG-CH2 4.16Å; E25-W55 HydrophobicContact CG-CZ3 3.97Å; L39-W55 HydrophobicContact CB-CH2 3.74Å; L39-W55 HydrophobicContact CB-CZ2 4.01Å; L39-W55 HydrophobicContact CB-CZ3 4.28Å; L39-W55 HydrophobicContact CD1-CE3 4.48Å; L39-W55 HydrophobicContact CD1-CH2 4.42Å; L39-W55 HydrophobicContact CD1-CZ3 4.12Å; C41-W55 HydrophobicContact CB-CH2 3.82Å; C41-W55 HydrophobicContact CB-CZ2 3.79Å; W55-I67 HydrophobicContact CB-CB 4.33Å; W55-I67 WeakPolarHBondContact O-CB 3.4Å; W55-I67 PolarHBondContact O-N 3.31Å; W55-A68 PolarHBondContact N-O 3.02Å; W55-A68 PolarHBondContact O-N 3.3Å; W55-L100 VanDerWaalsContact CD1-CD2 3.5Å; W55-L100 HydrophobicContact CG-CD2 4.3Å; W55-L102 HydrophobicContact CB-CD2 4.2Å; W55-L102 HydrophobicContact CD2-CB 4.07Å; W55-L102 HydrophobicContact CD2-CD2 4.18Å; W55-L102 HydrophobicContact CG-CB 4.11Å; W55-L102 HydrophobicContact CG-CD1 4.35Å; W55-L102 HydrophobicContact CG-CD2 3.96Å; W55-L102 HydrophobicContact CG-CG 4.38Å; W55-L102 HydrophobicContact CZ2-CB 4.25Å; W55-Y116 WeakPolarHBondContact CA-O 3.22Å; W55-C117 HydrophobicContact CE3-CB 4.32Å; W55-C117 HydrophobicContact CH2-CB 4.35Å; W55-C117 HydrophobicContact CZ3-CB 4.23Å
56	V	98.6	Very high	97.5	Very high	22 Å²	22	55.9 Å²	55.9	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.3	174.8	-177.6	0	0	0	0	107.3	L64 E65 Y115 Y116 A118	V56-L64 HydrophobicContact CG1-CB 3.82Å; V56-L64 HydrophobicContact CG1-CD1 4.48Å; V56-L64 HydrophobicContact CG1-CD2 3.98Å; V56-L64 HydrophobicContact CG1-CG 4.3Å; V56-E65 CarbonylContact C-O 3.58Å; V56-E65 WeakPolarHBondContact CA-O 3.44Å; V56-E65 WeakPolarHBondContact CG1-O 3.35Å; V56-Y115 WeakPolarHBondContact O-CA 3.48Å; V56-Y116 PolarHBondContact N-O 2.85Å; V56-Y116 PolarHBondContact O-N 3.32Å; V56-Y116 VanDerWaalsContact O-O 3.12Å; V56-A118 HydrophobicContact CG2-CB 4.46Å
57	R	98.1	Very high	97.7	Very high	15 Å²	15	54.2 Å²	54.2	6%	0.057	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.3	174.7	80.3	-178.5	179	-175.2	-0.4	112.5	L64 E65 I67 D111 A113 I114 Y115	R57-L64 WeakPolarHBondContact O-CA 3.39Å; R57-E65 HydrophobicContact CG-CB 4.16Å; R57-E65 IonicContact CZ-OE2 3.53Å; R57-E65 PolarHBondContact N-O 3.42Å; R57-E65 IonicContact NE-OE2 3.72Å; R57-E65 PolarHBondContact NE-OE2 2.79Å; R57-E65 IonicContact NH2-OE1 2.7Å; R57-E65 PolarHBondContact NH2-OE1 2.8Å; R57-E65 IonicContact NH2-OE2 3.47Å; R57-E65 PolarHBondContact NH2-OE2 3.42Å; R57-E65 PolarHBondContact O-N 3.11Å; R57-I67 HydrophobicContact CB-CD1 4.43Å; R57-I67 HydrophobicContact CB-CG1 3.99Å; R57-I67 HydrophobicContact CG-CD1 3.64Å; R57-I67 HydrophobicContact CG-CG1 3.73Å; R57-D111 IonicContact NH1-OD1 3.78Å; R57-D111 PolarHBondContact NH1-OD1 3.05Å; R57-D111 VanDerWaalsContact NH1-OD1 3.12Å; R57-A113 HydrophobicContact CB-CB 3.84Å; R57-A113 HydrophobicContact CG-CB 4Å; R57-I114 CarbonylContact C-O 3.51Å; R57-I114 WeakPolarHBondContact CA-O 3.43Å; R57-Y115 HydrophobicContact CB-CD1 3.72Å; R57-Y115 HydrophobicContact CB-CD2 4.37Å; R57-Y115 HydrophobicContact CB-CE1 3.68Å; R57-Y115 HydrophobicContact CB-CE2 4.34Å; R57-Y115 HydrophobicContact CB-CG 4.07Å; R57-Y115 WeakPolarHBondContact CD-OH 3.45Å; R57-Y115 HydrophobicContact CG-CE1 4.34Å; R57-Y115 PolarHBondContact NH1-OH 3.36Å
58	Q	98.3	Very high	97.8	Very high	73 Å²	73	50.4 Å²	50.4	34%	0.341	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	108.9	172.5	-163.5	173.8	23.5	0	0	110.2	K62 L64 A113 I114 Y116	Q58-K62 PolarHBondContact NE2-O 3.39Å; Q58-L64 HydrophobicContact CB-CD2 3.98Å; Q58-L64 HydrophobicContact CG-CD2 4.26Å; Q58-A113 WeakPolarHBondContact O-CA 3.41Å; Q58-A113 WeakPolarHBondContact O-CB 3.46Å; Q58-I114 PolarHBondContact N-O 3.11Å; Q58-I114 PolarHBondContact O-N 3.3Å; Q58-Y116 HydrophobicContact CB-CE2 4.14Å
59	A	97.5	Very high	97.9	Very high	26 Å²	26	50.2 Å²	50.2	22%	0.215	29%	0.289	C	S	.	.			trans	-77.6	151.4	171.5	0	0	0	0	0	110.5	G61 K62 A113	A59-G61 PolarHBondContact O-N 3.33Å; A59-K62 HydrophobicContact CB-CB 4.09Å; A59-K62 HydrophobicContact CB-CG 4Å; A59-K62 PolarHBondContact O-N 2.98Å; A59-A113 HydrophobicContact CB-CB 4.36Å
60	P	96.5	Very high	98	Very high	114 Å²	114	49 Å²	49	74%	0.74	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	125.8	178.2	-26.4	34.9	0	0	0	112.3	K62	P60-K62 PolarHBondContact O-N 2.97Å
61	G	97.5	Very high	98	Very high	88 Å²	88	48.7 Å²	48.7	91%	0.907	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	13.6	-179.1	0	0	0	0	0	115.1	A59	A59-G61 PolarHBondContact O-N 3.33Å
62	K	96.8	Very high	98	Very high	149 Å²	149	47.4 Å²	47.4	65%	0.648	27%	0.269	S	S	*	.			trans	-117.3	162.7	176.1	-58.6	-64	-175.8	179.9	0	111.3	Q58 A59 P60	Q58-K62 PolarHBondContact NE2-O 3.39Å; A59-K62 HydrophobicContact CB-CB 4.09Å; A59-K62 HydrophobicContact CB-CG 4Å; A59-K62 PolarHBondContact O-N 2.98Å; P60-K62 PolarHBondContact O-N 2.97Å
63	G	97.2	Very high	98	Very high	55 Å²	55	51.4 Å²	51.4	57%	0.567	29%	0.288	S	S	*	.			trans	-72.2	-179.4	170.1	0	0	0	0	0	112.3
64	L	98.1	Very high	97.9	Very high	122 Å²	122	55.6 Å²	55.6	64%	0.639	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.6	171.8	-63.2	176.5	0	0	0	110.4	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 3.82Å; V56-L64 HydrophobicContact CG1-CD1 4.48Å; V56-L64 HydrophobicContact CG1-CD2 3.98Å; V56-L64 HydrophobicContact CG1-CG 4.3Å; R57-L64 WeakPolarHBondContact O-CA 3.39Å; Q58-L64 HydrophobicContact CB-CD2 3.98Å; Q58-L64 HydrophobicContact CG-CD2 4.26Å
65	E	98.3	Very high	97.9	Very high	65 Å²	65	56.6 Å²	56.6	30%	0.304	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	173	-178	-172.9	178.1	0	0	108.4	V56 R57 I67 S84	V56-E65 CarbonylContact C-O 3.58Å; V56-E65 WeakPolarHBondContact CA-O 3.44Å; V56-E65 WeakPolarHBondContact CG1-O 3.35Å; R57-E65 HydrophobicContact CG-CB 4.16Å; R57-E65 IonicContact CZ-OE2 3.53Å; R57-E65 PolarHBondContact N-O 3.42Å; R57-E65 IonicContact NE-OE2 3.72Å; R57-E65 PolarHBondContact NE-OE2 2.79Å; R57-E65 IonicContact NH2-OE1 2.7Å; R57-E65 PolarHBondContact NH2-OE1 2.8Å; R57-E65 IonicContact NH2-OE2 3.47Å; R57-E65 PolarHBondContact NH2-OE2 3.42Å; R57-E65 PolarHBondContact O-N 3.11Å; E65-I67 HydrophobicContact CG-CD1 4.02Å; E65-S84 VanDerWaalsContact OE1-CB 3.3Å; E65-S84 WeakPolarHBondContact OE1-CB 3.46Å; E65-S84 PolarHBondContact OE1-OG 3.42Å
66	W	98.4	Very high	97.8	Very high	83 Å²	83	63.2 Å²	63.2	31%	0.314	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.9	171	179	95.3	0	0	0	110.1	E54 A69 E80 S82	E54-W66 VanDerWaalsContact CD-NE1 3.3Å; E54-W66 PolarHBondContact OE1-NE1 2.91Å; E54-W66 VanDerWaalsContact OE2-CD1 3.31Å; E54-W66 PolarHBondContact OE2-NE1 3.45Å; W66-A69 HydrophobicContact CZ2-CB 3.66Å; W66-E80 HydrophobicContact CH2-CB 3.68Å; W66-E80 HydrophobicContact CZ2-CB 4.09Å; W66-S82 WeakPolarHBondContact O-CB 3.3Å; W66-S82 PolarHBondContact O-OG 3.37Å
67	I	98.5	Very high	97.8	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-51.9	-169.2	-64	-62.8	0	0	0	112.6	W55 R57 E65 S82 V85 F89 L102 Y115	W55-I67 HydrophobicContact CB-CB 4.33Å; W55-I67 WeakPolarHBondContact O-CB 3.4Å; W55-I67 PolarHBondContact O-N 3.31Å; R57-I67 HydrophobicContact CB-CD1 4.43Å; R57-I67 HydrophobicContact CB-CG1 3.99Å; R57-I67 HydrophobicContact CG-CD1 3.64Å; R57-I67 HydrophobicContact CG-CG1 3.73Å; E65-I67 HydrophobicContact CG-CD1 4.02Å; I67-S82 PolarHBondContact O-N 2.83Å; I67-V85 HydrophobicContact CD1-CG1 4.14Å; I67-V85 HydrophobicContact CG2-CB 4.45Å; I67-V85 HydrophobicContact CG2-CG1 4.03Å; I67-V85 HydrophobicContact CG2-CG2 3.81Å; I67-V85 WeakPolarHBondContact O-CG2 3.08Å; I67-F89 HydrophobicContact CG2-CD2 3.94Å; I67-F89 HydrophobicContact CG2-CE2 4.36Å; I67-L102 HydrophobicContact CG2-CD2 4.31Å; I67-Y115 HydrophobicContact CG1-CE1 4.38Å
68	A	98.6	Very high	97.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	154.7	179.6	0	0	0	0	0	110.5	E54 W55 E80 Y81 V91 L102	E54-A68 CarbonylContact C-O 3.57Å; E54-A68 WeakPolarHBondContact CA-O 3.36Å; W55-A68 PolarHBondContact N-O 3.02Å; W55-A68 PolarHBondContact O-N 3.3Å; A68-E80 CarbonylContact C-O 3.58Å; A68-E80 WeakPolarHBondContact CA-O 3.31Å; A68-E80 WeakPolarHBondContact CB-O 3.41Å; A68-Y81 HydrophobicContact CB-CD1 3.78Å; A68-Y81 HydrophobicContact CB-CE1 4.09Å; A68-V91 HydrophobicContact CB-CB 3.93Å; A68-V91 HydrophobicContact CB-CG1 3.94Å; A68-L102 HydrophobicContact CB-CD1 4.31Å
69	A	98.3	Very high	97.8	Very high	3 Å²	3	67.5 Å²	67.5	3%	0.025	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.5	173.2	0	0	0	0	0	111.4	M53 E54 W66 T79 E80 V91	M53-A69 CarbonylContact O-C 3.54Å; M53-A69 WeakPolarHBondContact O-CA 3.09Å; E54-A69 HydrophobicContact CB-CB 4.42Å; E54-A69 HydrophobicContact CG-CB 3.95Å; W66-A69 HydrophobicContact CZ2-CB 3.66Å; A69-T79 CarbonylContact O-C 3.57Å; A69-T79 VanDerWaalsContact O-CA 3.25Å; A69-T79 WeakPolarHBondContact O-CA 3.47Å; A69-E80 PolarHBondContact N-O 2.86Å; A69-E80 PolarHBondContact O-N 2.86Å; A69-V91 WeakPolarHBondContact O-CG1 3.41Å
70	S	98.4	Very high	97.8	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.021	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.3	159.6	-179.2	0	0	0	0	107.9	M53 Y77 R93	M53-S70 PolarHBondContact N-O 3.01Å; M53-S70 PolarHBondContact O-N 3.11Å; S70-Y77 PolarHBondContact OG-O 2.89Å; S70-R93 WeakPolarHBondContact OG-CD 3.47Å
71	R	97.6	Very high	97.9	Very high	73 Å²	73	67.1 Å²	67.1	28%	0.275	37%	0.372	S	S	.	.			trans	-66	171.8	-179.2	-63	-173.2	173.9	-138.6	-2.3	111.4	Y52 N75 Y77 T78 E80 R93	Y52-R71 HydrophobicContact CD1-CB 4.09Å; Y52-R71 HydrophobicContact CD2-CB 4.41Å; Y52-R71 HydrophobicContact CD2-CG 4.01Å; Y52-R71 HydrophobicContact CE1-CB 3.86Å; Y52-R71 HydrophobicContact CE1-CG 4.25Å; Y52-R71 HydrophobicContact CE2-CB 4.22Å; Y52-R71 HydrophobicContact CE2-CG 3.69Å; Y52-R71 HydrophobicContact CG-CB 4.35Å; Y52-R71 HydrophobicContact CG-CG 4.44Å; Y52-R71 PolarHBondContact OH-NH1 2.77Å; R71-N75 HydrophobicContact CB-CB 3.71Å; R71-N75 HydrophobicContact CG-CB 4.4Å; R71-Y77 WeakPolarHBondContact O-CA 3.2Å; R71-Y77 WeakPolarHBondContact O-CD1 3.49Å; R71-T78 WeakPolarHBondContact CG-O 3.26Å; R71-T78 PolarHBondContact N-O 2.87Å; R71-E80 IonicContact CZ-OE1 3.06Å; R71-E80 IonicContact NE-OE1 2.73Å; R71-E80 PolarHBondContact NE-OE1 2.95Å; R71-E80 IonicContact NH2-OE1 2.62Å; R71-E80 PolarHBondContact NH2-OE1 3.24Å; R71-R93 PolarHBondContact O-NH1 2.86Å
72	N	97.4	Very high	97.9	Very high	22 Å²	22	63.6 Å²	63.6	12%	0.118	33%	0.333	C	S	.	.			trans	-71.2	176.6	176.3	69.4	2.7	0	0	0	112.9	S49 D50 Y52 A74 N75 Y77	S49-N72 WeakPolarHBondContact O-CA 3.45Å; S49-N72 WeakPolarHBondContact O-CB 3.33Å; D50-N72 WeakPolarHBondContact O-CB 2.97Å; D50-N72 PolarHBondContact O-ND2 3.25Å; Y52-N72 HydrophobicContact CD1-CB 3.83Å; Y52-N72 HydrophobicContact CE1-CB 4.04Å; Y52-N72 WeakPolarHBondContact CE1-OD1 2.97Å; N72-A74 VanDerWaalsContact C-N 3.27Å; N72-A74 PolarHBondContact O-N 2.76Å; N72-A74 PolarHBondContact OD1-N 2.76Å; N72-N75 CarbonylContact O-C 3.58Å; N72-N75 PolarHBondContact O-N 2.93Å; N72-N75 VanDerWaalsContact O-N 3.11Å; N72-N75 PolarHBondContact OD1-N 2.93Å; N72-N75 PolarHBondContact OD1-ND2 3.43Å; N72-Y77 PolarHBondContact O-N 3.49Å; N72-Y77 VanDerWaalsContact O-N 3.14Å
73	K	97.6	Very high	98	Very high	131 Å²	131	61.4 Å²	61.4	57%	0.57	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-58.5	-36.1	179.4	-172.2	176.1	179	-178.3	0	113.2	S49 N75 D76 Y77	S49-K73 WeakPolarHBondContact O-CB 3.36Å; S49-K73 PolarHBondContact O-N 3.18Å; K73-N75 PolarHBondContact O-N 2.83Å; K73-D76 PolarHBondContact O-N 3.42Å; K73-D76 VanDerWaalsContact O-N 3.14Å; K73-Y77 VanDerWaalsContact CA-CE1 3.47Å; K73-Y77 HydrophobicContact CB-CE1 3.77Å; K73-Y77 HydrophobicContact CB-CE2 4.39Å; K73-Y77 WeakPolarHBondContact CB-OH 3.4Å; K73-Y77 HydrophobicContact CG-CE1 4.43Å; K73-Y77 HydrophobicContact CG-CE2 4.19Å; K73-Y77 WeakPolarHBondContact CG-OH 3.44Å
74	A	97.5	Very high	98	Very high	88 Å²	88	60.9 Å²	60.9	73%	0.727	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.6	-18.7	180	0	0	0	0	0	113.2	N72	N72-A74 VanDerWaalsContact C-N 3.27Å; N72-A74 PolarHBondContact O-N 2.76Å; N72-A74 PolarHBondContact OD1-N 2.76Å
75	N	97.5	Very high	98	Very high	55 Å²	55	55 Å²	55	29%	0.294	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-110.2	28.8	176.2	-68.7	-93.8	0	0	0	111.6	Y52 R71 N72 K73 Y77 T78	Y52-N75 PolarHBondContact OH-ND2 2.58Å; R71-N75 HydrophobicContact CB-CB 3.71Å; R71-N75 HydrophobicContact CG-CB 4.4Å; N72-N75 CarbonylContact O-C 3.58Å; N72-N75 PolarHBondContact O-N 2.93Å; N72-N75 VanDerWaalsContact O-N 3.11Å; N72-N75 PolarHBondContact OD1-N 2.93Å; N72-N75 PolarHBondContact OD1-ND2 3.43Å; K73-N75 PolarHBondContact O-N 2.83Å; N75-Y77 PolarHBondContact O-N 2.78Å; N75-T78 WeakPolarHBondContact O-CB 3.49Å; N75-T78 PolarHBondContact O-N 2.01Å; N75-T78 PolarHBondContact O-OG1 2.85Å
76	D	97.4	Very high	97.9	Very high	140 Å²	140	59.4 Å²	59.4	75%	0.749	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	28.9	177.8	-62.3	-38.8	0	0	0	114.4	K73 T78	K73-D76 PolarHBondContact O-N 3.42Å; K73-D76 VanDerWaalsContact O-N 3.14Å; D76-T78 PolarHBondContact O-N 2.9Å; D76-T78 VanDerWaalsContact O-N 3.13Å
77	Y	97.5	Very high	97.9	Very high	67 Å²	67	59.3 Å²	59.3	26%	0.263	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	24.4	-176.8	-51.8	-64.2	0	0	0	114.8	S70 R71 N72 K73 N75 T79 T95	S70-Y77 PolarHBondContact OG-O 2.89Å; R71-Y77 WeakPolarHBondContact O-CA 3.2Å; R71-Y77 WeakPolarHBondContact O-CD1 3.49Å; N72-Y77 PolarHBondContact O-N 3.49Å; N72-Y77 VanDerWaalsContact O-N 3.14Å; K73-Y77 VanDerWaalsContact CA-CE1 3.47Å; K73-Y77 HydrophobicContact CB-CE1 3.77Å; K73-Y77 HydrophobicContact CB-CE2 4.39Å; K73-Y77 WeakPolarHBondContact CB-OH 3.4Å; K73-Y77 HydrophobicContact CG-CE1 4.43Å; K73-Y77 HydrophobicContact CG-CE2 4.19Å; K73-Y77 WeakPolarHBondContact CG-OH 3.44Å; N75-Y77 PolarHBondContact O-N 2.78Å; Y77-T79 PolarHBondContact O-N 2.95Å; Y77-T95 HydrophobicContact CE1-CG2 4.18Å
78	T	98	Very high	97.9	Very high	73 Å²	73	60.7 Å²	60.7	45%	0.448	35%	0.348	S	S	.	.			trans	-49.4	136.9	-179	-59.2	0	0	0	0	111.1	R71 N75 D76	R71-T78 WeakPolarHBondContact CG-O 3.26Å; R71-T78 PolarHBondContact N-O 2.87Å; N75-T78 WeakPolarHBondContact O-CB 3.49Å; N75-T78 PolarHBondContact O-N 2.01Å; N75-T78 PolarHBondContact O-OG1 2.85Å; D76-T78 PolarHBondContact O-N 2.9Å; D76-T78 VanDerWaalsContact O-N 3.13Å
79	T	98.5	Very high	97.9	Very high	60 Å²	60	60.9 Å²	60.9	37%	0.368	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141	-176.6	62.1	0	0	0	0	112.3	A69 Y77 V91	A69-T79 CarbonylContact O-C 3.57Å; A69-T79 VanDerWaalsContact O-CA 3.25Å; A69-T79 WeakPolarHBondContact O-CA 3.47Å; Y77-T79 PolarHBondContact O-N 2.95Å; T79-V91 HydrophobicContact CG2-CG1 3.8Å
80	E	98	Very high	97.9	Very high	72 Å²	72	64.9 Å²	64.9	34%	0.336	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.7	175.6	-63	177.8	-157.4	0	0	111.1	W66 A68 A69 R71	W66-E80 HydrophobicContact CH2-CB 3.68Å; W66-E80 HydrophobicContact CZ2-CB 4.09Å; A68-E80 CarbonylContact C-O 3.58Å; A68-E80 WeakPolarHBondContact CA-O 3.31Å; A68-E80 WeakPolarHBondContact CB-O 3.41Å; A69-E80 PolarHBondContact N-O 2.86Å; A69-E80 PolarHBondContact O-N 2.86Å; R71-E80 IonicContact CZ-OE1 3.06Å; R71-E80 IonicContact NE-OE1 2.73Å; R71-E80 PolarHBondContact NE-OE1 2.95Å; R71-E80 IonicContact NH2-OE1 2.62Å; R71-E80 PolarHBondContact NH2-OE1 3.24Å
81	Y	98.7	Very high	97.9	Very high	61 Å²	61	64.9 Å²	64.9	24%	0.239	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.3	-173	-59.6	-87.5	0	0	0	110.9	A68 F89 V91	A68-Y81 HydrophobicContact CB-CD1 3.78Å; A68-Y81 HydrophobicContact CB-CE1 4.09Å; Y81-F89 WeakPolarHBondContact CE1-O 3.14Å; Y81-V91 HydrophobicContact CE1-CB 4.36Å; Y81-V91 HydrophobicContact CE1-CG1 3.87Å; Y81-V91 PolarHBondContact OH-N 2.88Å; Y81-V91 VanDerWaalsContact OH-N 3.11Å
82	S	98.2	Very high	97.9	Very high	14 Å²	14	63.7 Å²	63.7	10%	0.098	37%	0.371	C	S	.	.			trans	-70.5	155.4	170.7	80.3	0	0	0	0	110.6	W66 I67 S84 V85 K86	W66-S82 WeakPolarHBondContact O-CB 3.3Å; W66-S82 PolarHBondContact O-OG 3.37Å; I67-S82 PolarHBondContact O-N 2.83Å; S82-S84 PolarHBondContact O-N 3.44Å; S82-S84 PolarHBondContact OG-OG 3.19Å; S82-V85 PolarHBondContact O-N 3.5Å; S82-K86 WeakPolarHBondContact O-CB 3.05Å; S82-K86 PolarHBondContact O-N 3.29Å
83	A	98.1	Very high	97.9	Very high	102 Å²	102	64.4 Å²	64.4	84%	0.843	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.8	-179.4	0	0	0	0	0	112.8	V85	A83-V85 VanDerWaalsContact C-N 3.32Å; A83-V85 PolarHBondContact O-N 3.44Å
84	S	96.8	Very high	97.9	Very high	44 Å²	44	60.4 Å²	60.4	31%	0.308	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.5	-177	60.6	0	0	0	0	113.5	E65 S82 R88	E65-S84 VanDerWaalsContact OE1-CB 3.3Å; E65-S84 WeakPolarHBondContact OE1-CB 3.46Å; E65-S84 PolarHBondContact OE1-OG 3.42Å; S82-S84 PolarHBondContact O-N 3.44Å; S82-S84 PolarHBondContact OG-OG 3.19Å; S84-R88 PolarHBondContact O-NH2 3.11Å
85	V	98	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-10	-176.3	-55.5	0	0	0	0	114.4	I67 S82 A83 G87 R88 F89	I67-V85 HydrophobicContact CD1-CG1 4.14Å; I67-V85 HydrophobicContact CG2-CB 4.45Å; I67-V85 HydrophobicContact CG2-CG1 4.03Å; I67-V85 HydrophobicContact CG2-CG2 3.81Å; I67-V85 WeakPolarHBondContact O-CG2 3.08Å; S82-V85 PolarHBondContact O-N 3.5Å; A83-V85 VanDerWaalsContact C-N 3.32Å; A83-V85 PolarHBondContact O-N 3.44Å; V85-G87 PolarHBondContact O-N 3.18Å; V85-R88 WeakPolarHBondContact O-CB 3.46Å; V85-R88 PolarHBondContact O-N 3.23Å; V85-F89 HydrophobicContact CB-CB 3.96Å; V85-F89 HydrophobicContact CB-CD1 4.29Å; V85-F89 HydrophobicContact CB-CD2 3.63Å; V85-F89 HydrophobicContact CB-CE2 4.16Å; V85-F89 HydrophobicContact CB-CG 3.7Å; V85-F89 HydrophobicContact CG1-CD2 3.56Å; V85-F89 HydrophobicContact CG1-CE2 3.59Å; V85-F89 HydrophobicContact CG1-CG 4.09Å; V85-F89 HydrophobicContact CG1-CZ 4.13Å; V85-F89 HydrophobicContact CG2-CB 4.14Å; V85-F89 HydrophobicContact CG2-CD2 4.13Å; V85-F89 HydrophobicContact CG2-CG 4.32Å; V85-F89 PolarHBondContact O-N 2.63Å
86	K	97.7	Very high	97.9	Very high	157 Å²	157	61.9 Å²	61.9	68%	0.683	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	129.5	-178.6	-171.2	171.2	-175.1	173.7	0	111.3	S82 R88	S82-K86 WeakPolarHBondContact O-CB 3.05Å; S82-K86 PolarHBondContact O-N 3.29Å; K86-R88 VanDerWaalsContact C-N 3.28Å; K86-R88 PolarHBondContact O-N 2.96Å
87	G	97.6	Very high	97.9	Very high	81 Å²	81	60.4 Å²	60.4	84%	0.835	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-3.3	-177.5	0	0	0	0	0	115.1	V85	V85-G87 PolarHBondContact O-N 3.18Å
88	R	97.7	Very high	97.9	Very high	29 Å²	29	58.9 Å²	58.9	11%	0.109	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-43.9	175.8	-58.7	-172.5	-59.7	111.4	-3.3	112.1	S84 V85 K86 N105 A106 D111	S84-R88 PolarHBondContact O-NH2 3.11Å; V85-R88 WeakPolarHBondContact O-CB 3.46Å; V85-R88 PolarHBondContact O-N 3.23Å; K86-R88 VanDerWaalsContact C-N 3.28Å; K86-R88 PolarHBondContact O-N 2.96Å; R88-N105 VanDerWaalsContact O-CB 3.28Å; R88-N105 WeakPolarHBondContact O-CB 3.46Å; R88-N105 PolarHBondContact O-N 2.85Å; R88-N105 PolarHBondContact O-ND2 2.73Å; R88-N105 VanDerWaalsContact O-ND2 3.08Å; R88-A106 PolarHBondContact NH1-O 2.92Å; R88-D111 IonicContact CZ-OD1 2.76Å; R88-D111 IonicContact CZ-OD2 3.59Å; R88-D111 IonicContact NH1-OD1 2.77Å; R88-D111 IonicContact NH1-OD2 3.19Å; R88-D111 PolarHBondContact NH1-OD2 3.05Å; R88-D111 IonicContact NH2-OD1 3.43Å; R88-D111 PolarHBondContact NH2-OD1 3.48Å; R88-D111 IonicContact NH2-OD2 3.12Å; R88-D111 PolarHBondContact NH2-OD2 2.94Å
89	F	98.5	Very high	97.9	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	150.6	-179.3	-67.5	10.6	0	0	0	110.5	I67 Y81 V85 L102 Q103 M104 L107 D111 Y115	I67-F89 HydrophobicContact CG2-CD2 3.94Å; I67-F89 HydrophobicContact CG2-CE2 4.36Å; Y81-F89 WeakPolarHBondContact CE1-O 3.14Å; V85-F89 HydrophobicContact CB-CB 3.96Å; V85-F89 HydrophobicContact CB-CD1 4.29Å; V85-F89 HydrophobicContact CB-CD2 3.63Å; V85-F89 HydrophobicContact CB-CE2 4.16Å; V85-F89 HydrophobicContact CB-CG 3.7Å; V85-F89 HydrophobicContact CG1-CD2 3.56Å; V85-F89 HydrophobicContact CG1-CE2 3.59Å; V85-F89 HydrophobicContact CG1-CG 4.09Å; V85-F89 HydrophobicContact CG1-CZ 4.13Å; V85-F89 HydrophobicContact CG2-CB 4.14Å; V85-F89 HydrophobicContact CG2-CD2 4.13Å; V85-F89 HydrophobicContact CG2-CG 4.32Å; V85-F89 PolarHBondContact O-N 2.63Å; F89-L102 HydrophobicContact CB-CD1 4.18Å; F89-L102 HydrophobicContact CD2-CD1 4.26Å; F89-L102 HydrophobicContact CD2-CD2 4.08Å; F89-L102 HydrophobicContact CD2-CG 4.29Å; F89-L102 HydrophobicContact CE2-CD2 4.42Å; F89-Q103 CarbonylContact C-O 3.54Å; F89-Q103 VanDerWaalsContact CA-O 3.25Å; F89-Q103 WeakPolarHBondContact CA-O 3.39Å; F89-M104 HydrophobicContact CD1-CB 3.81Å; F89-M104 HydrophobicContact CD1-CG 4.03Å; F89-M104 HydrophobicContact CD2-CB 4.45Å; F89-M104 HydrophobicContact CD2-CG 3.78Å; F89-M104 HydrophobicContact CD2-SD 4.32Å; F89-M104 HydrophobicContact CE1-CB 3.57Å; F89-M104 HydrophobicContact CE1-CG 3.9Å; F89-M104 HydrophobicContact CE2-CB 4.23Å; F89-M104 HydrophobicContact CE2-CG 3.62Å; F89-M104 HydrophobicContact CE2-SD 3.66Å; F89-M104 HydrophobicContact CG-CB 4.27Å; F89-M104 HydrophobicContact CG-CG 3.99Å; F89-M104 HydrophobicContact CZ-CB 3.8Å; F89-M104 HydrophobicContact CZ-CG 3.7Å; F89-M104 HydrophobicContact CZ-SD 3.8Å; F89-L107 HydrophobicContact CE1-CD2 4.09Å; F89-L107 HydrophobicContact CZ-CD2 3.95Å; F89-D111 HydrophobicContact CZ-CB 4.08Å; F89-Y115 HydrophobicContact CE2-CE1 4.25Å
90	I	98.5	Very high	98	Very high	86 Å²	86	53.8 Å²	53.8	44%	0.441	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117.1	178	-55.3	171.1	0	0	0	107.6	Q103	I90-Q103 HydrophobicContact CB-CB 4.21Å; I90-Q103 PolarHBondContact N-O 2.94Å; I90-Q103 PolarHBondContact O-N 3.13Å
91	V	98.7	Very high	98	Very high	4 Å²	4	52 Å²	52	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.8	170.5	63	0	0	0	0	108.6	A68 A69 T79 Y81 L100 Y101 L102	A68-V91 HydrophobicContact CB-CB 3.93Å; A68-V91 HydrophobicContact CB-CG1 3.94Å; A69-V91 WeakPolarHBondContact O-CG1 3.41Å; T79-V91 HydrophobicContact CG2-CG1 3.8Å; Y81-V91 HydrophobicContact CE1-CB 4.36Å; Y81-V91 HydrophobicContact CE1-CG1 3.87Å; Y81-V91 PolarHBondContact OH-N 2.88Å; Y81-V91 VanDerWaalsContact OH-N 3.11Å; V91-L100 HydrophobicContact CG2-CD1 3.74Å; V91-L100 HydrophobicContact CG2-CG 4.23Å; V91-Y101 WeakPolarHBondContact CA-O 3.36Å; V91-L102 HydrophobicContact CB-CD1 4.39Å
92	S	98.2	Very high	98	Very high	47 Å²	47	49.1 Å²	49.1	33%	0.329	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.8	175.5	54.8	0	0	0	0	109.6	Y101	S92-Y101 PolarHBondContact N-O 2.97Å; S92-Y101 PolarHBondContact O-N 3.43Å
93	R	97.7	Very high	98	Very high	38 Å²	38	51 Å²	51	14%	0.143	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.4	179.5	76.8	-175.4	-53.7	170.8	4	111.1	F48 F51 S70 R71 T95 I99 L100	F48-R93 HydrophobicContact CE1-CB 4.03Å; F48-R93 HydrophobicContact CE1-CG 4.43Å; F48-R93 VanDerWaalsContact CE1-NE 3.27Å; F48-R93 HydrophobicContact CZ-CB 3.94Å; F48-R93 VanDerWaalsContact CZ-NH2 3.28Å; F48-R93 PolarHBondContact O-NH2 2.79Å; F51-R93 PolarHBondContact O-NH1 3.02Å; S70-R93 WeakPolarHBondContact OG-CD 3.47Å; R71-R93 PolarHBondContact O-NH1 2.86Å; R93-T95 HydrophobicContact CG-CG2 4.32Å; R93-I99 CarbonylContact C-O 3.54Å; R93-I99 WeakPolarHBondContact CA-O 3.38Å; R93-L100 HydrophobicContact CB-CD1 4.11Å
94	D	97.8	Very high	98	Very high	46 Å²	46	46.4 Å²	46.4	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107.4	168.2	-175.1	-25.2	0	0	0	108.2	F48 S96 Q97 S98 I99 Y101	F48-D94 WeakPolarHBondContact CE1-O 3.48Å; D94-S96 VanDerWaalsContact C-N 3.33Å; D94-S96 WeakPolarHBondContact OD1-CA 3.35Å; D94-S96 WeakPolarHBondContact OD1-CB 3.36Å; D94-S96 PolarHBondContact OD1-N 3.41Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; D94-Q97 HydrophobicContact CB-CB 4.33Å; D94-Q97 PolarHBondContact OD1-N 2.9Å; D94-Q97 VanDerWaalsContact OD1-N 3.11Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.47Å; D94-Q97 PolarHBondContact OD2-OE1 2.9Å; D94-S98 WeakPolarHBondContact O-CA 3.42Å; D94-S98 PolarHBondContact O-N 3.44Å; D94-I99 PolarHBondContact N-O 3.1Å; D94-I99 PolarHBondContact O-N 2.87Å; D94-Y101 HydrophobicContact CB-CE2 3.97Å
95	T	96.9	Very high	98.1	Very high	71 Å²	71	46.6 Å²	46.6	44%	0.436	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.6	-178.5	51.9	0	0	0	0	113.1	F48 Y77 R93	F48-T95 HydrophobicContact CD1-CG2 4.31Å; F48-T95 HydrophobicContact CE1-CG2 4.33Å; Y77-T95 HydrophobicContact CE1-CG2 4.18Å; R93-T95 HydrophobicContact CG-CG2 4.32Å
96	S	96.9	Very high	98	Very high	103 Å²	103	49 Å²	49	72%	0.72	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.3	177.7	74	0	0	0	0	111.8	D94	D94-S96 VanDerWaalsContact C-N 3.33Å; D94-S96 WeakPolarHBondContact OD1-CA 3.35Å; D94-S96 WeakPolarHBondContact OD1-CB 3.36Å; D94-S96 PolarHBondContact OD1-N 3.41Å; D94-S96 PolarHBondContact OD1-OG 3.03Å
97	Q	97.7	Very high	98	Very high	110 Å²	110	42.2 Å²	42.2	51%	0.514	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-8.1	179.2	-60	-171.8	-28.6	0	0	113.4	D94 I99 Y101	D94-Q97 HydrophobicContact CB-CB 4.33Å; D94-Q97 PolarHBondContact OD1-N 2.9Å; D94-Q97 VanDerWaalsContact OD1-N 3.11Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.47Å; D94-Q97 PolarHBondContact OD2-OE1 2.9Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; Q97-I99 HydrophobicContact CB-CB 4.48Å; Q97-I99 HydrophobicContact CB-CD1 3.81Å; Q97-I99 HydrophobicContact CB-CG1 3.82Å; Q97-I99 WeakPolarHBondContact O-CG1 3.48Å; Q97-I99 PolarHBondContact O-N 3.47Å; Q97-Y101 PolarHBondContact OE1-OH 3.14Å
98	S	97.9	Very high	97.9	Very high	34 Å²	34	44.9 Å²	44.9	24%	0.238	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	44.3	-172.4	-59.2	0	0	0	0	112.8	T43 D94	T43-S98 PolarHBondContact N-O 3.18Å; T43-S98 WeakPolarHBondContact O-CB 3.39Å; T43-S98 WeakPolarHBondContact OG1-CB 3.09Å; T43-S98 PolarHBondContact OG1-O 3.01Å; D94-S98 WeakPolarHBondContact O-CA 3.42Å; D94-S98 PolarHBondContact O-N 3.44Å
99	I	98.7	Very high	97.8	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.138	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.1	-177.8	-56.5	179.3	0	0	0	110.8	C41 A42 R93 D94 Q97 Y101	C41-I99 WeakPolarHBondContact O-CA 3.49Å; A42-I99 HydrophobicContact CB-CG1 4.37Å; R93-I99 CarbonylContact C-O 3.54Å; R93-I99 WeakPolarHBondContact CA-O 3.38Å; D94-I99 PolarHBondContact N-O 3.1Å; D94-I99 PolarHBondContact O-N 2.87Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; Q97-I99 HydrophobicContact CB-CB 4.48Å; Q97-I99 HydrophobicContact CB-CD1 3.81Å; Q97-I99 HydrophobicContact CB-CG1 3.82Å; Q97-I99 WeakPolarHBondContact O-CG1 3.48Å; Q97-I99 PolarHBondContact O-N 3.47Å; I99-Y101 HydrophobicContact CB-CE2 4Å; I99-Y101 HydrophobicContact CG2-CD1 3.95Å; I99-Y101 HydrophobicContact CG2-CD2 4.14Å; I99-Y101 HydrophobicContact CG2-CE1 3.51Å; I99-Y101 HydrophobicContact CG2-CE2 3.71Å; I99-Y101 HydrophobicContact CG2-CG 4.25Å
100	L	98.7	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.8	165.7	-172.4	75.2	0	0	0	109.3	S40 C41 F48 M53 W55 V91 R93	S40-L100 CarbonylContact C-O 3.47Å; S40-L100 VanDerWaalsContact CA-O 3.31Å; S40-L100 WeakPolarHBondContact CA-O 3.29Å; C41-L100 HydrophobicContact CB-CB 4.28Å; C41-L100 PolarHBondContact N-O 3.18Å; C41-L100 PolarHBondContact O-N 3.25Å; F48-L100 HydrophobicContact CZ-CB 4.43Å; M53-L100 HydrophobicContact CB-CD1 3.81Å; M53-L100 HydrophobicContact CB-CD2 3.9Å; M53-L100 HydrophobicContact CB-CG 4.3Å; W55-L100 VanDerWaalsContact CD1-CD2 3.5Å; W55-L100 HydrophobicContact CG-CD2 4.3Å; V91-L100 HydrophobicContact CG2-CD1 3.74Å; V91-L100 HydrophobicContact CG2-CG 4.23Å; R93-L100 HydrophobicContact CB-CD1 4.11Å
101	Y	98.8	Very high	97.6	Very high	35 Å²	35	49.2 Å²	49.2	14%	0.137	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.2	178.1	-62.9	-75.4	0	0	0	111.2	R38 L39 V91 S92 D94 Q97 I99	R38-Y101 HydrophobicContact CG-CD1 4.49Å; R38-Y101 VanDerWaalsContact NH2-CE1 3.29Å; R38-Y101 VanDerWaalsContact NH2-CE2 3.28Å; R38-Y101 VanDerWaalsContact NH2-CZ 3.34Å; L39-Y101 WeakPolarHBondContact O-CA 3.46Å; V91-Y101 WeakPolarHBondContact CA-O 3.36Å; S92-Y101 PolarHBondContact N-O 2.97Å; S92-Y101 PolarHBondContact O-N 3.43Å; D94-Y101 HydrophobicContact CB-CE2 3.97Å; Q97-Y101 PolarHBondContact OE1-OH 3.14Å; I99-Y101 HydrophobicContact CB-CE2 4Å; I99-Y101 HydrophobicContact CG2-CD1 3.95Å; I99-Y101 HydrophobicContact CG2-CD2 4.14Å; I99-Y101 HydrophobicContact CG2-CE1 3.51Å; I99-Y101 HydrophobicContact CG2-CE2 3.71Å; I99-Y101 HydrophobicContact CG2-CG 4.25Å
102	L	98.8	Very high	97.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.1	167.2	-170.8	66.6	0	0	0	109	R38 L39 W55 I67 A68 F89 V91 M104 Y115	R38-L102 WeakPolarHBondContact CA-O 3.48Å; L39-L102 HydrophobicContact CB-CB 4.22Å; L39-L102 HydrophobicContact CD1-CD2 4.3Å; L39-L102 PolarHBondContact N-O 3Å; L39-L102 PolarHBondContact O-N 2.83Å; W55-L102 HydrophobicContact CB-CD2 4.2Å; W55-L102 HydrophobicContact CD2-CB 4.07Å; W55-L102 HydrophobicContact CD2-CD2 4.18Å; W55-L102 HydrophobicContact CG-CB 4.11Å; W55-L102 HydrophobicContact CG-CD1 4.35Å; W55-L102 HydrophobicContact CG-CD2 3.96Å; W55-L102 HydrophobicContact CG-CG 4.38Å; W55-L102 HydrophobicContact CZ2-CB 4.25Å; I67-L102 HydrophobicContact CG2-CD2 4.31Å; A68-L102 HydrophobicContact CB-CD1 4.31Å; F89-L102 HydrophobicContact CB-CD1 4.18Å; F89-L102 HydrophobicContact CD2-CD1 4.26Å; F89-L102 HydrophobicContact CD2-CD2 4.08Å; F89-L102 HydrophobicContact CD2-CG 4.29Å; F89-L102 HydrophobicContact CE2-CD2 4.42Å; V91-L102 HydrophobicContact CB-CD1 4.39Å; L102-M104 HydrophobicContact CD2-CG 3.94Å; L102-M104 HydrophobicContact CD2-SD 3.92Å; L102-M104 HydrophobicContact CG-CG 3.84Å; L102-M104 HydrophobicContact CG-SD 4.45Å; L102-Y115 HydrophobicContact CD2-CD1 3.98Å; L102-Y115 HydrophobicContact CD2-CE1 4.09Å
103	Q	98.5	Very high	97.4	Very high	54 Å²	54	52.6 Å²	52.6	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.4	170.7	176.6	62.9	40.6	0	0	108.5	F89 I90 N105	F89-Q103 CarbonylContact C-O 3.54Å; F89-Q103 VanDerWaalsContact CA-O 3.25Å; F89-Q103 WeakPolarHBondContact CA-O 3.39Å; I90-Q103 HydrophobicContact CB-CB 4.21Å; I90-Q103 PolarHBondContact N-O 2.94Å; I90-Q103 PolarHBondContact O-N 3.13Å; Q103-N105 WeakPolarHBondContact CG-OD1 3.25Å; Q103-N105 PolarHBondContact NE2-OD1 2.93Å
104	M	98.4	Very high	97.5	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.02	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107.3	-178	-59.1	-175.9	-64.3	0	0	109.2	S36 L37 L39 F89 L102 L107 Y115	S36-M104 CarbonylContact C-O 3.58Å; S36-M104 WeakPolarHBondContact CA-O 3.49Å; S36-M104 VanDerWaalsContact CB-O 3.3Å; S36-M104 WeakPolarHBondContact CB-O 3.42Å; L37-M104 HydrophobicContact CB-CE 3.79Å; L37-M104 HydrophobicContact CD2-CE 3.64Å; L37-M104 HydrophobicContact CG-CE 3.92Å; L37-M104 PolarHBondContact N-O 3Å; L37-M104 WeakPolarHBondContact O-CB 3.48Å; L37-M104 PolarHBondContact O-N 3.17Å; L39-M104 HydrophobicContact CD1-CE 3.83Å; L39-M104 HydrophobicContact CD1-SD 4.1Å; L39-M104 HydrophobicContact CD2-CE 3.81Å; L39-M104 HydrophobicContact CG-CE 3.55Å; L39-M104 HydrophobicContact CG-SD 4.3Å; F89-M104 HydrophobicContact CD1-CB 3.81Å; F89-M104 HydrophobicContact CD1-CG 4.03Å; F89-M104 HydrophobicContact CD2-CB 4.45Å; F89-M104 HydrophobicContact CD2-CG 3.78Å; F89-M104 HydrophobicContact CD2-SD 4.32Å; F89-M104 HydrophobicContact CE1-CB 3.57Å; F89-M104 HydrophobicContact CE1-CG 3.9Å; F89-M104 HydrophobicContact CE2-CB 4.23Å; F89-M104 HydrophobicContact CE2-CG 3.62Å; F89-M104 HydrophobicContact CE2-SD 3.66Å; F89-M104 HydrophobicContact CG-CB 4.27Å; F89-M104 HydrophobicContact CG-CG 3.99Å; F89-M104 HydrophobicContact CZ-CB 3.8Å; F89-M104 HydrophobicContact CZ-CG 3.7Å; F89-M104 HydrophobicContact CZ-SD 3.8Å; L102-M104 HydrophobicContact CD2-CG 3.94Å; L102-M104 HydrophobicContact CD2-SD 3.92Å; L102-M104 HydrophobicContact CG-CG 3.84Å; L102-M104 HydrophobicContact CG-SD 4.45Å; M104-L107 HydrophobicContact CB-CD1 4.38Å; M104-L107 HydrophobicContact CB-CD2 3.82Å; M104-L107 HydrophobicContact CB-CG 4.12Å; M104-L107 HydrophobicContact CE-CD2 4.45Å; M104-L107 HydrophobicContact SD-CD2 4.28Å; M104-Y115 HydrophobicContact SD-CE1 4.11Å; M104-Y115 HydrophobicContact SD-CE2 4.4Å
105	N	97.5	Very high	97.5	Very high	49 Å²	49	54.6 Å²	54.6	26%	0.262	30%	0.304	S	S	.	.			trans	-102.2	152.8	179.4	-50.1	-57.7	0	0	0	111.4	S36 R88 Q103 L107	S36-N105 PolarHBondContact OG-OD1 3.31Å; R88-N105 VanDerWaalsContact O-CB 3.28Å; R88-N105 WeakPolarHBondContact O-CB 3.46Å; R88-N105 PolarHBondContact O-N 2.85Å; R88-N105 PolarHBondContact O-ND2 2.73Å; R88-N105 VanDerWaalsContact O-ND2 3.08Å; Q103-N105 WeakPolarHBondContact CG-OD1 3.25Å; Q103-N105 PolarHBondContact NE2-OD1 2.93Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 2.62Å
106	A	96.5	Very high	97.6	Very high	51 Å²	51	55.4 Å²	55.4	42%	0.421	30%	0.3	S	S	.	.	S	Bend	trans	48.2	52.5	178.6	0	0	0	0	0	111.6	R35 R88	R35-A106 PolarHBondContact O-N 2.67Å; R88-A106 PolarHBondContact NH1-O 2.92Å
107	L	97.5	Very high	97.6	Very high	14 Å²	14	51 Å²	51	7%	0.073	27%	0.268	C	S	.	.			trans	-56.9	140.5	-178.1	-82.2	163.7	0	0	0	111.1	V31 S33 G34 R35 L37 F89 M104 N105 D111	V31-L107 HydrophobicContact CG2-CD1 3.36Å; S33-L107 CarbonylContact C-O 3.53Å; S33-L107 WeakPolarHBondContact CA-O 3.46Å; S33-L107 PolarHBondContact OG-O 2.97Å; G34-L107 PolarHBondContact N-O 3.22Å; R35-L107 PolarHBondContact O-N 3.08Å; L37-L107 HydrophobicContact CB-CD1 3.65Å; F89-L107 HydrophobicContact CE1-CD2 4.09Å; F89-L107 HydrophobicContact CZ-CD2 3.95Å; M104-L107 HydrophobicContact CB-CD1 4.38Å; M104-L107 HydrophobicContact CB-CD2 3.82Å; M104-L107 HydrophobicContact CB-CG 4.12Å; M104-L107 HydrophobicContact CE-CD2 4.45Å; M104-L107 HydrophobicContact SD-CD2 4.28Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 2.62Å; L107-D111 HydrophobicContact CD2-CB 3.64Å
108	R	96.6	Very high	97.6	Very high	136 Å²	136	47.3 Å²	47.3	51%	0.513	26%	0.257	S	S	.	.			trans	-116.9	167.4	177.4	-51	177.9	175.8	167.6	-3.5	110.1	E110 D111	R108-E110 WeakPolarHBondContact CB-OE2 3.42Å; R108-E110 PolarHBondContact O-N 3.35Å; R108-D111 PolarHBondContact N-OD2 3.14Å; R108-D111 WeakPolarHBondContact O-CB 3.41Å; R108-D111 PolarHBondContact O-N 2.94Å
109	A	95	Very high	97.6	Very high	71 Å²	71	50.2 Å²	50.2	59%	0.587	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58.9	-34.8	176.9	0	0	0	0	0	111.5	D111 T112	A109-D111 PolarHBondContact O-N 2.99Å; A109-T112 VanDerWaalsContact O-CB 3.29Å; A109-T112 WeakPolarHBondContact O-CB 3.39Å; A109-T112 PolarHBondContact O-N 3.24Å; A109-T112 VanDerWaalsContact O-N 3.16Å; A109-T112 PolarHBondContact O-OG1 2.78Å
110	E	95.2	Very high	97.3	Very high	133 Å²	133	52.9 Å²	52.9	62%	0.621	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-68.8	-13.1	178.4	-53.4	75.4	-156.4	0	0	113.4	R108 T112	R108-E110 WeakPolarHBondContact CB-OE2 3.42Å; R108-E110 PolarHBondContact O-N 3.35Å; E110-T112 VanDerWaalsContact C-N 3.26Å
111	D	97.2	Very high	96.2	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.032	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-83.5	-3.2	175.4	-60.3	-43.9	0	0	0	113.1	R57 R88 F89 L107 R108 A109 A113 Y115	R57-D111 IonicContact NH1-OD1 3.78Å; R57-D111 PolarHBondContact NH1-OD1 3.05Å; R57-D111 VanDerWaalsContact NH1-OD1 3.12Å; R88-D111 IonicContact CZ-OD1 2.76Å; R88-D111 IonicContact CZ-OD2 3.59Å; R88-D111 IonicContact NH1-OD1 2.77Å; R88-D111 IonicContact NH1-OD2 3.19Å; R88-D111 PolarHBondContact NH1-OD2 3.05Å; R88-D111 IonicContact NH2-OD1 3.43Å; R88-D111 PolarHBondContact NH2-OD1 3.48Å; R88-D111 IonicContact NH2-OD2 3.12Å; R88-D111 PolarHBondContact NH2-OD2 2.94Å; F89-D111 HydrophobicContact CZ-CB 4.08Å; L107-D111 HydrophobicContact CD2-CB 3.64Å; R108-D111 PolarHBondContact N-OD2 3.14Å; R108-D111 WeakPolarHBondContact O-CB 3.41Å; R108-D111 PolarHBondContact O-N 2.94Å; A109-D111 PolarHBondContact O-N 2.99Å; D111-A113 PolarHBondContact O-N 3.17Å; D111-A113 VanDerWaalsContact O-N 3.16Å; D111-Y115 WeakPolarHBondContact O-CE2 3.39Å; D111-Y115 PolarHBondContact O-OH 3.08Å
112	T	96.5	Very high	96	Very high	99 Å²	99	59.6 Å²	59.6	61%	0.607	33%	0.332	S	S	*	.			trans	-69.8	107.1	177.4	-53.1	0	0	0	0	110.4	A109 E110	A109-T112 VanDerWaalsContact O-CB 3.29Å; A109-T112 WeakPolarHBondContact O-CB 3.39Å; A109-T112 PolarHBondContact O-N 3.24Å; A109-T112 VanDerWaalsContact O-N 3.16Å; A109-T112 PolarHBondContact O-OG1 2.78Å; E110-T112 VanDerWaalsContact C-N 3.26Å
113	A	97.5	Very high	95.9	Very high	24 Å²	24	62.7 Å²	62.7	20%	0.198	35%	0.35	C	S	.	.	S	Bend	trans	-159.5	168.2	-178.5	0	0	0	0	0	110.3	R57 Q58 A59 D111 Y115	R57-A113 HydrophobicContact CB-CB 3.84Å; R57-A113 HydrophobicContact CG-CB 4Å; Q58-A113 WeakPolarHBondContact O-CA 3.41Å; Q58-A113 WeakPolarHBondContact O-CB 3.46Å; A59-A113 HydrophobicContact CB-CB 4.36Å; D111-A113 PolarHBondContact O-N 3.17Å; D111-A113 VanDerWaalsContact O-N 3.16Å; A113-Y115 HydrophobicContact CB-CD2 4.34Å; A113-Y115 HydrophobicContact CB-CE2 3.88Å; A113-Y115 WeakPolarHBondContact O-CD2 3.4Å
114	I	97.9	Very high	95.8	Very high	99 Å²	99	63.2 Å²	63.2	51%	0.508	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.9	160.9	-52.2	176.1	0	0	0	107.3	R57 Q58 Y116	R57-I114 CarbonylContact C-O 3.51Å; R57-I114 WeakPolarHBondContact CA-O 3.43Å; Q58-I114 PolarHBondContact N-O 3.11Å; Q58-I114 PolarHBondContact O-N 3.3Å; I114-Y116 HydrophobicContact CB-CE2 3.98Å; I114-Y116 HydrophobicContact CG2-CD1 4.49Å; I114-Y116 HydrophobicContact CG2-CD2 4.4Å; I114-Y116 HydrophobicContact CG2-CE1 3.8Å; I114-Y116 HydrophobicContact CG2-CE2 3.69Å; I114-Y116 WeakPolarHBondContact CG2-OH 3.48Å
115	Y	98.5	Very high	95.6	Very high	26 Å²	26	66.6 Å²	66.6	10%	0.102	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.1	178.3	-72.7	-102.7	0	0	0	109.1	L39 V56 R57 I67 F89 L102 M104 D111 A113	L39-Y115 VanDerWaalsContact CD1-CB 3.47Å; L39-Y115 HydrophobicContact CD1-CD1 4Å; L39-Y115 HydrophobicContact CD1-CD2 4.05Å; L39-Y115 HydrophobicContact CD1-CG 3.58Å; V56-Y115 WeakPolarHBondContact O-CA 3.48Å; R57-Y115 HydrophobicContact CB-CD1 3.72Å; R57-Y115 HydrophobicContact CB-CD2 4.37Å; R57-Y115 HydrophobicContact CB-CE1 3.68Å; R57-Y115 HydrophobicContact CB-CE2 4.34Å; R57-Y115 HydrophobicContact CB-CG 4.07Å; R57-Y115 WeakPolarHBondContact CD-OH 3.45Å; R57-Y115 HydrophobicContact CG-CE1 4.34Å; R57-Y115 PolarHBondContact NH1-OH 3.36Å; I67-Y115 HydrophobicContact CG1-CE1 4.38Å; F89-Y115 HydrophobicContact CE2-CE1 4.25Å; L102-Y115 HydrophobicContact CD2-CD1 3.98Å; L102-Y115 HydrophobicContact CD2-CE1 4.09Å; M104-Y115 HydrophobicContact SD-CE1 4.11Å; M104-Y115 HydrophobicContact SD-CE2 4.4Å; D111-Y115 WeakPolarHBondContact O-CE2 3.39Å; D111-Y115 PolarHBondContact O-OH 3.08Å; A113-Y115 HydrophobicContact CB-CD2 4.34Å; A113-Y115 HydrophobicContact CB-CE2 3.88Å; A113-Y115 WeakPolarHBondContact O-CD2 3.4Å
116	Y	98.4	Very high	95.5	Very high	88 Å²	88	67.8 Å²	67.8	35%	0.345	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	178.1	-56.8	-79	0	0	0	108.4	E25 W55 V56 Q58 I114	E25-Y116 WeakPolarHBondContact OE1-CA 3.4Å; W55-Y116 WeakPolarHBondContact CA-O 3.22Å; V56-Y116 PolarHBondContact N-O 2.85Å; V56-Y116 PolarHBondContact O-N 3.32Å; V56-Y116 VanDerWaalsContact O-O 3.12Å; Q58-Y116 HydrophobicContact CB-CE2 4.14Å; I114-Y116 HydrophobicContact CB-CE2 3.98Å; I114-Y116 HydrophobicContact CG2-CD1 4.49Å; I114-Y116 HydrophobicContact CG2-CD2 4.4Å; I114-Y116 HydrophobicContact CG2-CE1 3.8Å; I114-Y116 HydrophobicContact CG2-CE2 3.69Å; I114-Y116 WeakPolarHBondContact CG2-OH 3.48Å
117	C	98.3	Very high	95.4	Very high	10 Å²	10	68.9 Å²	68.9	7%	0.068	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	145.3	163.2	55.4	0	0	0	0	110.1	L23 E25 C41 E54 W55	L23-C117 HydrophobicContact CD2-CB 4.34Å; L23-C117 VanDerWaalsContact CD2-O 3.31Å; L23-C117 WeakPolarHBondContact CD2-O 3.27Å; E25-C117 VanDerWaalsContact CD-SG 3.55Å; E25-C117 HydrophobicContact CG-CB 4.43Å; E25-C117 PolarHBondContact OE1-N 2.8Å; E25-C117 PolarHBondContact OE1-SG 3.06Å; C41-C117 HydrophobicContact CB-CB 3.4Å; C41-C117 WeakPolarHBondContact CB-SG 3.48Å; C41-C117 WeakPolarHBondContact SG-CB 3.28Å; C41-C117 CovalentContact SG-SG 2.01Å; C41-C117 PolarHBondContact SG-SG 3.12Å; E54-C117 CarbonylContact O-C 3.59Å; E54-C117 WeakPolarHBondContact O-CA 3.16Å; W55-C117 HydrophobicContact CE3-CB 4.32Å; W55-C117 HydrophobicContact CH2-CB 4.35Å; W55-C117 HydrophobicContact CZ3-CB 4.23Å
118	A	98.1	Very high	95.3	Very high	33 Å²	33	72.8 Å²	72.8	27%	0.273	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.8	176.8	0	0	0	0	0	110.1	M53 E54 V56	M53-A118 WeakPolarHBondContact CE-O 3.43Å; E54-A118 HydrophobicContact CB-CB 4.39Å; E54-A118 PolarHBondContact N-O 3.33Å; E54-A118 PolarHBondContact O-N 2.83Å; V56-A118 HydrophobicContact CG2-CB 4.46Å
119	R	96.9	Very high	95.2	Very high	95 Å²	95	67.9 Å²	67.9	36%	0.358	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.9	172	-177.3	-170.2	70.9	172.2	-1.1	107.6	L23 F46 F51 Y52 M53	L23-R119 HydrophobicContact CD2-CB 4.49Å; F46-R119 VanDerWaalsContact CB-NH1 3.33Å; F46-R119 VanDerWaalsContact CE2-CD 3.41Å; F46-R119 HydrophobicContact CE2-CG 4.03Å; F46-R119 HydrophobicContact CZ-CG 4.28Å; F51-R119 HydrophobicContact CB-CG 3.53Å; F51-R119 HydrophobicContact CD1-CG 3.65Å; F51-R119 HydrophobicContact CG-CG 3.68Å; Y52-R119 WeakPolarHBondContact O-CA 3.21Å; M53-R119 HydrophobicContact CE-CB 4.21Å; M53-R119 HydrophobicContact SD-CB 4.09Å; M53-R119 HydrophobicContact SD-CG 3.93Å
120	D	93.4	Very high	95.2	Very high	83 Å²	83	67.7 Å²	67.7	44%	0.444	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.4	173.3	-166.5	26.6	0	0	0	110.8	Y52	Y52-D120 PolarHBondContact N-O 3.03Å; Y52-D120 PolarHBondContact O-N 2.77Å
121	A	74.3	Confident	95.2	Very high	116 Å²	116	61.7 Å²	61.7	96%	0.959	35%	0.354	S	S	*	.			trans	-86.8	0	-169	0	0	0	0	0	113.3

Retrieved 121 of 121 residues in 57.8 ms (Link to these results)

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