A0A096NRG7_PAPAN Loading...

Beta-crystallin B1

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A096NRG7, Species PAPAN (Papio anubis, Olive baboon), Gene CRYBB1, Length 252 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	36.9	Very low	244 Å²	244	137.3 Å²	137.3	100%	1.202	87%	0.874	S	S	*	*				0	112.4	0	-57.1	-162.1	-125.4	0	0	105.2
2	S	41.7	Very low	36.6	Very low	124 Å²	124	136.8 Å²	136.8	87%	0.867	87%	0.869	S	S	*	*				-149.4	150.4	51.1	-69	0	0	0	0	113
3	Q	33.8	Very low	36.1	Very low	190 Å²	190	136.8 Å²	136.8	89%	0.888	87%	0.866	S	S	*	*			trans	-61.5	138.2	169.2	-77.2	172.6	-6.5	0	0	111.4
4	A	34.9	Very low	35.9	Very low	98 Å²	98	133.4 Å²	133.4	81%	0.81	86%	0.857	S	S	*	*				81.5	124.2	82.2	0	0	0	0	0	114.8
5	A	36.8	Very low	35.7	Very low	110 Å²	110	130.7 Å²	130.7	91%	0.909	85%	0.851	S	S	*	*			trans	-159.4	112.2	144.4	0	0	0	0	0	109.9
6	K	36.8	Very low	35.4	Very low	214 Å²	214	133 Å²	133	93%	0.93	85%	0.854	S	S	*	*			trans	-105.6	134.2	171.6	-172.4	-179.9	-175.7	-179.3	0	106.1
7	A	37.5	Very low	35.7	Very low	95 Å²	95	132.6 Å²	132.6	79%	0.785	85%	0.852	S	S	*	*			trans	-126.4	153.5	173.8	0	0	0	0	0	110.5
8	P	40.7	Very low	35.5	Very low	125 Å²	125	129.1 Å²	129.1	81%	0.812	84%	0.844	S	S	*	*			trans	-103.1	164.9	-140	37.3	-33	0	0	0	115.6
9	A	34	Very low	35.7	Very low	102 Å²	102	128.6 Å²	128.6	84%	0.843	84%	0.841	S	S	*	*			trans	-70.4	140.8	170.8	0	0	0	0	0	111.8
10	S	33.3	Very low	35.7	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	85%	0.845	S	S	*	*			trans	-102.5	115.1	169.4	-168.7	0	0	0	0	109.2
11	A	32.2	Very low	35.5	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	84%	0.842	S	S	*	*			trans	-100.5	125.6	168.7	0	0	0	0	0	107.8
12	T	33.6	Very low	34.9	Very low	131 Å²	131	129.4 Å²	129.4	80%	0.804	83%	0.83	S	S	*	*			trans	-112.8	120.2	170.9	-54.5	0	0	0	0	108.7
13	V	30.3	Very low	34.4	Very low	137 Å²	137	127.3 Å²	127.3	83%	0.83	83%	0.828	S	S	*	*			trans	-105.8	129	173.6	173.8	0	0	0	0	107.3
14	A	33.7	Very low	34.2	Very low	90 Å²	90	128.8 Å²	128.8	74%	0.744	83%	0.831	S	S	*	*			trans	-155.6	101.1	161.2	0	0	0	0	0	107.1
15	A	32.5	Very low	33.8	Very low	93 Å²	93	128 Å²	128	77%	0.769	83%	0.833	S	S	*	*				75.6	93.6	82.6	0	0	0	0	0	113
16	N	31	Very low	33.6	Very low	167 Å²	167	127.3 Å²	127.3	89%	0.893	83%	0.828	S	S	*	*			trans	-74.6	144.1	165.8	-82.1	-24.5	0	0	0	110.9
17	P	39.5	Very low	33.9	Very low	127 Å²	127	122.5 Å²	122.5	83%	0.825	82%	0.818	S	S	*	*			trans	-99.9	133.6	154.6	10.9	8.6	0	0	0	111.2
18	G	32.7	Very low	33.8	Very low	69 Å²	69	124 Å²	124	71%	0.711	82%	0.819	S	S	*	*			trans	-78.3	-177	172.3	0	0	0	0	0	113.9
19	P	39.8	Very low	33.5	Very low	120 Å²	120	124.8 Å²	124.8	78%	0.779	82%	0.822	S	S	*	*			trans	-100.2	141.3	-154.5	36.4	-30.4	0	0	0	113.8
20	D	35.5	Very low	33.3	Very low	172 Å²	172	123.2 Å²	123.2	92%	0.92	82%	0.816	S	S	*	*			trans	-103.7	135.4	166.2	-83.3	-38.6	0	0	0	111.3
21	T	31.2	Very low	33.3	Very low	129 Å²	129	124.6 Å²	124.6	79%	0.791	82%	0.82	S	S	*	*			trans	-114.7	154.3	-179.7	41	0	0	0	0	111.5
22	K	31.5	Very low	33.5	Very low	216 Å²	216	126 Å²	126	94%	0.939	83%	0.825	S	S	*	*			trans	87.2	121.2	156.8	-96.3	175.4	175.3	173.9	0	119.5
23	G	30.5	Very low	33.6	Very low	81 Å²	81	125.8 Å²	125.8	84%	0.835	83%	0.825	S	S	*	*			trans	174.9	106.7	153.7	0	0	0	0	0	114.3
24	K	29.9	Very low	33.9	Very low	220 Å²	220	124.7 Å²	124.7	96%	0.957	82%	0.823	S	S	*	*			trans	-60.5	152.9	-175.4	-70.4	168.3	167.2	179.4	0	115.8
25	G	28.2	Very low	34	Very low	82 Å²	82	126.7 Å²	126.7	85%	0.845	83%	0.829	S	S	*	*			trans	175.4	115.5	152.7	0	0	0	0	0	114.6
26	A	30.8	Very low	34	Very low	96 Å²	96	125.7 Å²	125.7	79%	0.793	83%	0.827	S	S	*	*			trans	-150.8	162.1	163.3	0	0	0	0	0	107.8
27	P	43.6	Very low	34.2	Very low	112 Å²	112	124.4 Å²	124.4	73%	0.727	83%	0.826	S	S	*	*			cis	-128.1	-168.4	-13.8	35.3	-14.5	0	0	0	112
28	P	35	Very low	33.9	Very low	126 Å²	126	123 Å²	123	82%	0.818	83%	0.825	S	S	*	*				-141.8	169.7	97.1	36.1	-19.3	0	0	0	115.7
29	T	34.3	Very low	34	Very low	142 Å²	142	128 Å²	128	87%	0.871	84%	0.835	S	S	*	*			trans	-71	142.6	-170.1	45.6	0	0	0	0	115.8
30	G	30.5	Very low	33.9	Very low	70 Å²	70	126 Å²	126	72%	0.722	83%	0.829	S	S	*	*			trans	-154.4	100.7	166.6	0	0	0	0	0	112.5
31	T	32.5	Very low	33.8	Very low	143 Å²	143	123.6 Å²	123.6	88%	0.877	82%	0.822	S	S	*	*			trans	27.8	122.3	150.5	38.8	0	0	0	0	122
32	S	37.5	Very low	33.8	Very low	124 Å²	124	123.8 Å²	123.8	87%	0.867	82%	0.823	S	S	*	*			trans	-63.6	153.4	165.3	-63.1	0	0	0	0	114.9
33	P	34.9	Very low	33.9	Very low	125 Å²	125	119.7 Å²	119.7	81%	0.812	82%	0.816	S	S	*	*			trans	-110.1	148.3	145.4	15.3	4.8	0	0	0	112.3
34	S	37.2	Very low	34.2	Very low	114 Å²	114	121.6 Å²	121.6	80%	0.797	81%	0.812	S	S	*	*			trans	-55.1	160.5	-177.3	-60.6	0	0	0	0	116	G36	S34-G36 PolarHBondContact O-N 2.8Å
35	P	35.4	Very low	34.2	Very low	133 Å²	133	116.2 Å²	116.2	86%	0.864	80%	0.799	S	S	*	*			trans	-77	112.6	-174	28.1	-26.9	0	0	0	111.3
36	G	31.8	Very low	34.5	Very low	71 Å²	71	119.7 Å²	119.7	73%	0.732	80%	0.797	S	S	*	*			trans	-70.4	135.7	166.3	0	0	0	0	0	110.9	S34 A38	S34-G36 PolarHBondContact O-N 2.8Å; G36-A38 PolarHBondContact O-N 2.93Å
37	T	36.2	Very low	34.5	Very low	141 Å²	141	121 Å²	121	87%	0.865	80%	0.795	S	S	*	*			trans	-45.3	120.8	179.9	-35.6	0	0	0	0	112.4	L39	T37-L39 PolarHBondContact O-N 2.95Å
38	A	32.6	Very low	34.3	Very low	98 Å²	98	120.8 Å²	120.8	81%	0.81	80%	0.796	S	S	*	*			trans	-65.8	113.3	172.7	0	0	0	0	0	110	G36 A40	G36-A38 PolarHBondContact O-N 2.93Å; A38-A40 PolarHBondContact O-N 3.35Å
39	L	34.5	Very low	34.4	Very low	173 Å²	173	119.5 Å²	119.5	91%	0.906	80%	0.796	S	S	*	*			trans	-73.8	111.5	163.9	-87.1	151.9	0	0	0	107.9	T37	T37-L39 PolarHBondContact O-N 2.95Å
40	A	37.4	Very low	34.5	Very low	79 Å²	79	120.3 Å²	120.3	65%	0.653	79%	0.787	S	S	*	*			trans	-60.4	142.2	170	0	0	0	0	0	110	A38 T42	A38-A40 PolarHBondContact O-N 3.35Å; A40-T42 PolarHBondContact O-N 3.06Å
41	P	33.8	Very low	34.7	Very low	121 Å²	121	120.6 Å²	120.6	79%	0.786	78%	0.783	S	S	*	*			trans	-67.3	119.1	172.9	26.9	-30.6	0	0	0	109.1	T43	P41-T43 PolarHBondContact O-N 3.44Å
42	T	31.3	Very low	34.9	Very low	133 Å²	133	119.3 Å²	119.3	82%	0.816	78%	0.777	S	S	*	*			trans	-64.3	105.5	172.3	-38.7	0	0	0	0	108.5	A40 V44	A40-T42 PolarHBondContact O-N 3.06Å; T42-V44 PolarHBondContact O-N 3.4Å
43	T	34.2	Very low	34.8	Very low	129 Å²	129	121 Å²	121	79%	0.791	77%	0.771	S	S	*	*			trans	-63.4	102.9	168.6	-48	0	0	0	0	108	P41	P41-T43 PolarHBondContact O-N 3.44Å
44	V	35.8	Very low	35.4	Very low	121 Å²	121	119.6 Å²	119.6	73%	0.733	76%	0.757	S	S	*	*			trans	-63.4	123.3	164.3	-118.8	0	0	0	0	106.8	T42 I46	T42-V44 PolarHBondContact O-N 3.4Å; V44-I46 PolarHBondContact O-N 2.95Å
45	P	31.5	Very low	35.9	Very low	107 Å²	107	119.4 Å²	119.4	70%	0.695	75%	0.753	S	S	*	*			trans	-66.5	112.9	171.7	16.6	-11.8	0	0	0	107	T47	P45-T47 PolarHBondContact O-N 3.1Å
46	I	33.9	Very low	36.7	Very low	155 Å²	155	118.7 Å²	118.7	80%	0.795	75%	0.748	S	S	*	*			trans	-64.9	97.1	160.9	-60.5	172.7	0	0	0	104.4	V44 S48	V44-I46 PolarHBondContact O-N 2.95Å; I46-S48 PolarHBondContact O-N 3.38Å
47	T	31	Very low	38.1	Very low	124 Å²	124	117.1 Å²	117.1	76%	0.761	73%	0.732	S	S	*	*			trans	-60.3	98.4	161	29.7	0	0	0	0	106	P45 A49	P45-T47 PolarHBondContact O-N 3.1Å; T47-A49 VanDerWaalsContact C-N 3.27Å; T47-A49 PolarHBondContact O-N 3.35Å
48	S	39.7	Very low	40.3	Very low	108 Å²	108	117 Å²	117	76%	0.755	73%	0.726	S	S	*	*			trans	-54.1	101.8	161.4	-67	0	0	0	0	106.2	I46 K50	I46-S48 PolarHBondContact O-N 3.38Å; S48-K50 VanDerWaalsContact C-N 3.28Å; S48-K50 PolarHBondContact O-N 2.97Å
49	A	35.6	Very low	43.2	Very low	98 Å²	98	114.3 Å²	114.3	81%	0.81	70%	0.696	S	S	*	*			trans	-60.5	100.4	170.5	0	0	0	0	0	106	T47 A51	T47-A49 VanDerWaalsContact C-N 3.27Å; T47-A49 PolarHBondContact O-N 3.35Å; A49-A51 PolarHBondContact O-N 3.37Å
50	K	36.2	Very low	46.2	Very low	159 Å²	159	111 Å²	111	69%	0.691	67%	0.671	S	S	*	*			trans	-55	115.4	171.6	-172.8	177.7	178.5	-172.7	0	105.9	S48 E53	S48-K50 VanDerWaalsContact C-N 3.28Å; S48-K50 PolarHBondContact O-N 2.97Å; K50-E53 WeakPolarHBondContact CE-OE2 3.24Å; K50-E53 IonicContact NZ-OE2 2.99Å; K50-E53 PolarHBondContact NZ-OE2 3.08Å
51	A	35.9	Very low	49	Very low	77 Å²	77	107.2 Å²	107.2	64%	0.636	64%	0.64	S	S	*	*			trans	-48.7	140.8	171.6	0	0	0	0	0	108.3	A49 E53	A49-A51 PolarHBondContact O-N 3.37Å; A51-E53 PolarHBondContact O-N 2.73Å
52	P	35.7	Very low	52.1	Low	115 Å²	115	102 Å²	102	75%	0.747	61%	0.606	S	S	*	*			trans	-59.2	105.6	-178.7	-18	29.2	0	0	0	109	L54	P52-L54 VanDerWaalsContact C-N 3.3Å; P52-L54 PolarHBondContact O-N 3.49Å
53	E	37	Very low	55.3	Low	159 Å²	159	95.7 Å²	95.7	74%	0.743	57%	0.567	S	S	*	*			trans	-74.3	90.8	174.8	-168.3	173.3	-176.2	0	0	106.5	K50 A51	K50-E53 WeakPolarHBondContact CE-OE2 3.24Å; K50-E53 IonicContact NZ-OE2 2.99Å; K50-E53 PolarHBondContact NZ-OE2 3.08Å; A51-E53 PolarHBondContact O-N 2.73Å
54	L	47.5	Very low	58.4	Low	96 Å²	96	90.1 Å²	90.1	50%	0.503	53%	0.532	S	S	.	.			trans	-71.4	148.6	172.8	-73.3	162.9	0	0	0	109	P52 K143	P52-L54 VanDerWaalsContact C-N 3.3Å; P52-L54 PolarHBondContact O-N 3.49Å; L54-K143 HydrophobicContact CD1-CD 4.15Å; L54-K143 VanDerWaalsContact CD1-NZ 3.3Å
55	P	45.9	Very low	61.3	Low	110 Å²	110	88.3 Å²	88.3	71%	0.714	52%	0.515	S	S	*	.			trans	-55.2	131.6	175.3	22.2	-30.3	0	0	0	108.4	G57	P55-G57 PolarHBondContact O-N 2.87Å
56	P	53	Low	64.5	Low	118 Å²	118	88.2 Å²	88.2	77%	0.766	51%	0.505	S	S	*	.			trans	-60.1	113.8	-177.1	22.1	-30.2	0	0	0	108	N58	P56-N58 PolarHBondContact O-N 3.44Å
57	G	60.5	Low	67.6	Low	39 Å²	39	83.9 Å²	83.9	40%	0.402	48%	0.482	S	S	.	.			trans	-47.1	139.6	147.6	0	0	0	0	0	106.5	P55 Y59	P55-G57 PolarHBondContact O-N 2.87Å; G57-Y59 WeakPolarHBondContact O-CD2 3.42Å; G57-Y59 PolarHBondContact O-N 3.44Å
58	N	83.6	Confident	70.8	Confident	139 Å²	139	82.2 Å²	82.2	74%	0.743	47%	0.468	S	S	*	.			trans	-71.9	67.7	-170	-168	13.9	0	0	0	110.3	P56 S98	P56-N58 PolarHBondContact O-N 3.44Å; N58-S98 WeakPolarHBondContact O-CB 3.45Å; N58-S98 PolarHBondContact O-OG 2.92Å
59	Y	93.1	Very high	73.6	Confident	41 Å²	41	79.2 Å²	79.2	16%	0.161	44%	0.442	C	S	.	.			trans	-69.6	136	-178.9	-69.4	-81.3	0	0	0	109.4	G57 S77 P141 I142	G57-Y59 WeakPolarHBondContact O-CD2 3.42Å; G57-Y59 PolarHBondContact O-N 3.44Å; Y59-S77 VanDerWaalsContact O-CA 3.3Å; Y59-S77 WeakPolarHBondContact O-CA 3.47Å; Y59-S77 WeakPolarHBondContact O-CB 3.34Å; Y59-P141 HydrophobicContact CD1-CB 3.75Å; Y59-P141 HydrophobicContact CD1-CG 4.43Å; Y59-P141 HydrophobicContact CD2-CB 3.92Å; Y59-P141 HydrophobicContact CD2-CG 4.29Å; Y59-P141 HydrophobicContact CE1-CB 3.84Å; Y59-P141 HydrophobicContact CE2-CB 4.03Å; Y59-P141 HydrophobicContact CG-CB 3.81Å; Y59-P141 HydrophobicContact CG-CG 4.12Å; Y59-I142 PolarHBondContact OH-O 2.96Å
60	R	96.6	Very high	76.5	Confident	103 Å²	103	80 Å²	80	39%	0.389	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	114.4	-179.1	-171.3	179.3	-176.1	-155.2	-3.2	111.4	E75 F76 S97 S98	R60-E75 HydrophobicContact CG-CG 4.34Å; R60-E75 IonicContact CZ-OE1 3.86Å; R60-E75 IonicContact CZ-OE2 3.63Å; R60-E75 IonicContact NE-OE1 3.17Å; R60-E75 PolarHBondContact NE-OE1 2.66Å; R60-E75 IonicContact NE-OE2 2.82Å; R60-E75 PolarHBondContact NE-OE2 3.41Å; R60-E75 IonicContact NH2-OE1 2.92Å; R60-E75 PolarHBondContact NH2-OE1 2.92Å; R60-E75 IonicContact NH2-OE2 3.55Å; R60-E75 PolarHBondContact NH2-OE2 2.85Å; R60-F76 WeakPolarHBondContact CA-O 3.48Å; R60-S97 PolarHBondContact O-N 3.23Å; R60-S98 PolarHBondContact N-O 2.68Å; R60-S98 PolarHBondContact O-N 2.91Å
61	L	98.1	Very high	79.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.2	176.4	-179.2	151.5	0	0	0	109.5	V63 F76 I94 V96 W101 L116 F139	L61-V63 HydrophobicContact CD2-CG1 3.43Å; L61-V63 VanDerWaalsContact CD2-CG1 3.43Å; L61-F76 HydrophobicContact CD2-CD2 4.42Å; L61-F76 PolarHBondContact N-O 2.93Å; L61-F76 PolarHBondContact O-N 3.41Å; L61-I94 HydrophobicContact CD1-CG2 4.2Å; L61-I94 HydrophobicContact CD2-CG2 4.26Å; L61-I94 HydrophobicContact CG-CG2 3.94Å; L61-V96 HydrophobicContact CD1-CG2 4.11Å; L61-V96 HydrophobicContact CG-CG2 4.35Å; L61-W101 HydrophobicContact CB-CD2 3.91Å; L61-W101 HydrophobicContact CB-CE3 4.37Å; L61-W101 HydrophobicContact CB-CG 4.38Å; L61-W101 HydrophobicContact CB-CH2 4.13Å; L61-W101 HydrophobicContact CB-CZ2 3.62Å; L61-W101 HydrophobicContact CB-CZ3 4.48Å; L61-W101 HydrophobicContact CD1-CB 3.96Å; L61-W101 HydrophobicContact CD1-CD2 3.76Å; L61-W101 HydrophobicContact CD1-CE3 4.12Å; L61-W101 HydrophobicContact CD1-CG 3.67Å; L61-W101 HydrophobicContact CG-CD2 4.49Å; L61-L116 HydrophobicContact CD1-CD1 3.87Å; L61-F139 HydrophobicContact CD2-CE1 4.18Å; L61-F139 HydrophobicContact CD2-CE2 4.26Å; L61-F139 HydrophobicContact CD2-CZ 4.02Å
62	V	98.4	Very high	82.3	Confident	11 Å²	11	77.3 Å²	77.3	7%	0.067	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.3	177.2	-171.5	0	0	0	0	108.6	F64 R73 G74 E75 I94 I95	V62-F64 HydrophobicContact CB-CE2 3.99Å; V62-F64 HydrophobicContact CB-CZ 4.45Å; V62-F64 HydrophobicContact CG1-CD2 4.24Å; V62-F64 HydrophobicContact CG1-CE1 4.45Å; V62-F64 HydrophobicContact CG1-CE2 3.51Å; V62-F64 HydrophobicContact CG1-CZ 3.64Å; V62-R73 HydrophobicContact CG1-CB 4.22Å; V62-G74 CarbonylContact C-O 3.52Å; V62-G74 WeakPolarHBondContact CA-O 3.17Å; V62-E75 HydrophobicContact CG2-CB 4.41Å; V62-E75 HydrophobicContact CG2-CG 4.2Å; V62-I94 CarbonylContact O-C 3.59Å; V62-I94 WeakPolarHBondContact O-CA 3.35Å; V62-I95 HydrophobicContact CB-CB 4.48Å; V62-I95 PolarHBondContact N-O 3.04Å; V62-I95 PolarHBondContact O-N 3.4Å
63	V	98.5	Very high	85.3	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150	173.6	-54.8	0	0	0	0	110.3	L61 R73 G74 F76 L83 F88 V91 F139	L61-V63 HydrophobicContact CD2-CG1 3.43Å; L61-V63 VanDerWaalsContact CD2-CG1 3.43Å; V63-R73 CarbonylContact O-C 3.53Å; V63-R73 WeakPolarHBondContact O-CA 3.35Å; V63-R73 WeakPolarHBondContact O-CB 3.46Å; V63-G74 PolarHBondContact N-O 3.33Å; V63-G74 PolarHBondContact O-N 2.93Å; V63-F76 HydrophobicContact CG1-CE2 4.39Å; V63-F76 HydrophobicContact CG2-CE2 3.76Å; V63-L83 HydrophobicContact CG2-CD2 4.23Å; V63-F88 HydrophobicContact CG2-CD1 4.09Å; V63-F88 HydrophobicContact CG2-CD2 4.28Å; V63-F88 HydrophobicContact CG2-CE1 3.91Å; V63-F88 HydrophobicContact CG2-CE2 4.11Å; V63-F88 HydrophobicContact CG2-CG 4.29Å; V63-F88 HydrophobicContact CG2-CZ 3.93Å; V63-V91 HydrophobicContact CB-CG1 3.87Å; V63-V91 HydrophobicContact CB-CG2 3.9Å; V63-V91 HydrophobicContact CG1-CG1 4.2Å; V63-V91 HydrophobicContact CG1-CG2 4.24Å; V63-V91 HydrophobicContact CG2-CG2 4.22Å; V63-F139 HydrophobicContact CG1-CE1 4.08Å; V63-F139 HydrophobicContact CG1-CZ 4.49Å
64	F	98.6	Very high	88.2	Confident	13 Å²	13	73.5 Å²	73.5	6%	0.057	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142	178.2	-63.5	-98.4	0	0	0	110.6	V62 Q66 F69 R72 R73 R92 S93 I95	V62-F64 HydrophobicContact CB-CE2 3.99Å; V62-F64 HydrophobicContact CB-CZ 4.45Å; V62-F64 HydrophobicContact CG1-CD2 4.24Å; V62-F64 HydrophobicContact CG1-CE1 4.45Å; V62-F64 HydrophobicContact CG1-CE2 3.51Å; V62-F64 HydrophobicContact CG1-CZ 3.64Å; F64-Q66 VanDerWaalsContact C-N 3.32Å; F64-F69 HydrophobicContact CD1-CB 4.22Å; F64-F69 WeakPolarHBondContact CD1-O 3.42Å; F64-F69 HydrophobicContact CD2-CB 4.29Å; F64-F69 HydrophobicContact CD2-CD1 4.11Å; F64-F69 HydrophobicContact CE1-CB 4.01Å; F64-F69 VanDerWaalsContact CE1-O 3.31Å; F64-F69 WeakPolarHBondContact CE1-O 3.49Å; F64-F69 HydrophobicContact CE2-CB 4.11Å; F64-F69 HydrophobicContact CE2-CD1 4.1Å; F64-F69 HydrophobicContact CG-CB 4.36Å; F64-F69 HydrophobicContact CZ-CB 3.95Å; F64-R72 WeakPolarHBondContact CA-O 3.43Å; F64-R73 HydrophobicContact CD1-CB 3.62Å; F64-R73 HydrophobicContact CE1-CB 3.66Å; F64-R73 HydrophobicContact CE1-CG 4.41Å; F64-R73 HydrophobicContact CG-CB 4.28Å; F64-R73 HydrophobicContact CZ-CB 4.32Å; F64-R92 PolarHBondContact O-N 3.11Å; F64-S93 VanDerWaalsContact CB-OG 3.28Å; F64-S93 WeakPolarHBondContact CB-OG 3.25Å; F64-S93 PolarHBondContact N-O 3.31Å; F64-S93 PolarHBondContact O-N 3.22Å; F64-I95 HydrophobicContact CE2-CB 4.36Å; F64-I95 HydrophobicContact CE2-CD1 3.83Å; F64-I95 HydrophobicContact CE2-CG1 3.85Å; F64-I95 HydrophobicContact CZ-CD1 3.99Å
65	E	97.4	Very high	90.5	Very high	83 Å²	83	74 Å²	74	39%	0.388	38%	0.38	S	S	.	.	S	Bend	trans	-69.4	-29.4	178.9	-176.7	180	-168.1	0	0	112.6	R72 F88 R92	E65-R72 HydrophobicContact CB-CB 4.11Å; E65-R72 PolarHBondContact N-O 3.41Å; E65-R72 VanDerWaalsContact OE2-CB 3.24Å; E65-R72 WeakPolarHBondContact OE2-CB 3.44Å; E65-F88 HydrophobicContact CB-CE1 4.43Å; E65-R92 WeakPolarHBondContact O-CB 3.3Å; E65-R92 WeakPolarHBondContact O-CD 3.42Å; E65-R92 VanDerWaalsContact O-CG 3.3Å; E65-R92 WeakPolarHBondContact O-CG 3.3Å
66	Q	98.2	Very high	93	Very high	104 Å²	104	69.1 Å²	69.1	49%	0.486	35%	0.347	S	S	.	.	S	Bend	trans	-113.2	164.5	179.4	-58.3	-179.1	18.8	0	0	111.9	F64 Q70 S93	F64-Q66 VanDerWaalsContact C-N 3.32Å; Q66-Q70 HydrophobicContact CB-CB 3.98Å; Q66-Q70 WeakPolarHBondContact CB-O 3.39Å; Q66-Q70 PolarHBondContact N-O 3.49Å; Q66-S93 WeakPolarHBondContact O-CB 3.18Å; Q66-S93 PolarHBondContact O-N 3.04Å; Q66-S93 PolarHBondContact O-OG 2.88Å
67	E	98.3	Very high	95.1	Very high	64 Å²	64	68 Å²	68	30%	0.299	34%	0.342	S	S	.	.	S	Bend	trans	-67.3	162.5	173	-63.8	-178.7	-174.8	0	0	110.5	F69 Q70 R92 P122 R123	E67-F69 PolarHBondContact O-N 3.21Å; E67-Q70 PolarHBondContact O-N 3.2Å; E67-R92 HydrophobicContact CG-CB 3.9Å; E67-R92 IonicContact OE1-NH1 3.81Å; E67-P122 WeakPolarHBondContact CA-O 3.27Å; E67-R123 HydrophobicContact CB-CG 4.1Å; E67-R123 HydrophobicContact CG-CG 3.93Å; E67-R123 WeakPolarHBondContact OE2-CD 3.32Å; E67-R123 WeakPolarHBondContact OE2-CG 3.11Å
68	N	98.2	Very high	96.7	Very high	90 Å²	90	67.5 Å²	67.5	48%	0.481	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.5	177	-49.2	-59.7	0	0	0	113.7	Q70 P122	N68-Q70 WeakPolarHBondContact O-CG 3.31Å; N68-Q70 PolarHBondContact O-N 3.47Å; N68-Q70 PolarHBondContact O-NE2 2.74Å; N68-Q70 VanDerWaalsContact O-NE2 3.11Å; N68-P122 PolarHBondContact N-O 3.11Å
69	F	98.2	Very high	97.4	Very high	45 Å²	45	66.5 Å²	66.5	20%	0.197	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	36.3	171.5	-36.9	-61.4	0	0	0	114.2	F64 E67 S93 I94 I95 E120 P122	F64-F69 HydrophobicContact CD1-CB 4.22Å; F64-F69 WeakPolarHBondContact CD1-O 3.42Å; F64-F69 HydrophobicContact CD2-CB 4.29Å; F64-F69 HydrophobicContact CD2-CD1 4.11Å; F64-F69 HydrophobicContact CE1-CB 4.01Å; F64-F69 VanDerWaalsContact CE1-O 3.31Å; F64-F69 WeakPolarHBondContact CE1-O 3.49Å; F64-F69 HydrophobicContact CE2-CB 4.11Å; F64-F69 HydrophobicContact CE2-CD1 4.1Å; F64-F69 HydrophobicContact CG-CB 4.36Å; F64-F69 HydrophobicContact CZ-CB 3.95Å; E67-F69 PolarHBondContact O-N 3.21Å; F69-S93 VanDerWaalsContact CA-OG 3.27Å; F69-S93 WeakPolarHBondContact CA-OG 3.41Å; F69-S93 PolarHBondContact N-OG 3.2Å; F69-I94 WeakPolarHBondContact CE1-O 3.28Å; F69-I95 HydrophobicContact CB-CD1 4.22Å; F69-I95 HydrophobicContact CD1-CD1 3.73Å; F69-I95 HydrophobicContact CD1-CG1 3.46Å; F69-I95 VanDerWaalsContact CD1-CG1 3.46Å; F69-I95 HydrophobicContact CD2-CD1 4.38Å; F69-I95 HydrophobicContact CE1-CD1 4.23Å; F69-I95 HydrophobicContact CE1-CG1 3.6Å; F69-I95 HydrophobicContact CG-CD1 3.82Å; F69-I95 HydrophobicContact CG-CG1 4.09Å; F69-I95 HydrophobicContact CZ-CG1 4.34Å; F69-E120 HydrophobicContact CE1-CB 4.41Å; F69-E120 HydrophobicContact CE2-CB 4.32Å; F69-E120 HydrophobicContact CZ-CB 3.7Å; F69-E120 HydrophobicContact CZ-CG 4.27Å; F69-P122 HydrophobicContact CE1-CB 4.45Å; F69-P122 HydrophobicContact CE2-CB 4.18Å; F69-P122 HydrophobicContact CZ-CB 3.78Å
70	Q	98	Very high	97.6	Very high	113 Å²	113	64.7 Å²	64.7	53%	0.528	32%	0.322	S	S	.	.			trans	-109.6	170.5	-178.5	-58	-55.2	-46.8	0	0	113	Q66 E67 N68	Q66-Q70 HydrophobicContact CB-CB 3.98Å; Q66-Q70 WeakPolarHBondContact CB-O 3.39Å; Q66-Q70 PolarHBondContact N-O 3.49Å; E67-Q70 PolarHBondContact O-N 3.2Å; N68-Q70 WeakPolarHBondContact O-CG 3.31Å; N68-Q70 PolarHBondContact O-N 3.47Å; N68-Q70 PolarHBondContact O-NE2 2.74Å; N68-Q70 VanDerWaalsContact O-NE2 3.11Å
71	G	97.2	Very high	97.7	Very high	46 Å²	46	63.5 Å²	63.5	47%	0.474	32%	0.322	S	S	.	.	S	Bend	trans	76.4	-156	176.4	0	0	0	0	0	113.4
72	R	97.2	Very high	97.7	Very high	135 Å²	135	65.5 Å²	65.5	51%	0.509	33%	0.333	S	S	.	.	S	Bend	trans	-62.4	139.5	176	-175.1	-175.7	-64.4	172.8	0.7	109.8	F64 E65 G87 F88	F64-R72 WeakPolarHBondContact CA-O 3.43Å; E65-R72 HydrophobicContact CB-CB 4.11Å; E65-R72 PolarHBondContact N-O 3.41Å; E65-R72 VanDerWaalsContact OE2-CB 3.24Å; E65-R72 WeakPolarHBondContact OE2-CB 3.44Å; R72-G87 PolarHBondContact NH1-O 3.31Å; R72-F88 HydrophobicContact CB-CE1 4.39Å; R72-F88 HydrophobicContact CG-CE1 4.12Å; R72-F88 HydrophobicContact CG-CZ 3.87Å
73	R	97.4	Very high	97.7	Very high	180 Å²	180	65 Å²	65	68%	0.679	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.6	175.4	74.6	178.6	-175	-178.1	0.3	112.8	V62 V63 F64 F88	V62-R73 HydrophobicContact CG1-CB 4.22Å; V63-R73 CarbonylContact O-C 3.53Å; V63-R73 WeakPolarHBondContact O-CA 3.35Å; V63-R73 WeakPolarHBondContact O-CB 3.46Å; F64-R73 HydrophobicContact CD1-CB 3.62Å; F64-R73 HydrophobicContact CE1-CB 3.66Å; F64-R73 HydrophobicContact CE1-CG 4.41Å; F64-R73 HydrophobicContact CG-CB 4.28Å; F64-R73 HydrophobicContact CZ-CB 4.32Å; R73-F88 VanDerWaalsContact C-CZ 3.49Å
74	G	97.3	Very high	97.6	Very high	13 Å²	13	66.1 Å²	66.1	13%	0.134	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.6	176.8	0	0	0	0	0	110.1	V62 V63	V62-G74 CarbonylContact C-O 3.52Å; V62-G74 WeakPolarHBondContact CA-O 3.17Å; V63-G74 PolarHBondContact N-O 3.33Å; V63-G74 PolarHBondContact O-N 2.93Å
75	E	97.8	Very high	97.4	Very high	106 Å²	106	71.8 Å²	71.8	50%	0.495	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.3	179.8	-177.3	171	154	0	0	110.9	R60 V62	R60-E75 HydrophobicContact CG-CG 4.34Å; R60-E75 IonicContact CZ-OE1 3.86Å; R60-E75 IonicContact CZ-OE2 3.63Å; R60-E75 IonicContact NE-OE1 3.17Å; R60-E75 PolarHBondContact NE-OE1 2.66Å; R60-E75 IonicContact NE-OE2 2.82Å; R60-E75 PolarHBondContact NE-OE2 3.41Å; R60-E75 IonicContact NH2-OE1 2.92Å; R60-E75 PolarHBondContact NH2-OE1 2.92Å; R60-E75 IonicContact NH2-OE2 3.55Å; R60-E75 PolarHBondContact NH2-OE2 2.85Å; V62-E75 HydrophobicContact CG2-CB 4.41Å; V62-E75 HydrophobicContact CG2-CG 4.2Å
76	F	97.4	Very high	97.2	Very high	9 Å²	9	74.5 Å²	74.5	4%	0.039	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.2	-173.9	-60	-96.2	0	0	0	111	R60 L61 V63 C80 L83 R86 W101 F139	R60-F76 WeakPolarHBondContact CA-O 3.48Å; L61-F76 HydrophobicContact CD2-CD2 4.42Å; L61-F76 PolarHBondContact N-O 2.93Å; L61-F76 PolarHBondContact O-N 3.41Å; V63-F76 HydrophobicContact CG1-CE2 4.39Å; V63-F76 HydrophobicContact CG2-CE2 3.76Å; F76-C80 HydrophobicContact CD1-CB 4.03Å; F76-C80 HydrophobicContact CE1-CB 3.96Å; F76-L83 HydrophobicContact CE2-CD2 4.21Å; F76-L83 HydrophobicContact CZ-CD2 3.77Å; F76-R86 HydrophobicContact CE1-CG 4.06Å; F76-R86 HydrophobicContact CZ-CB 4.31Å; F76-R86 HydrophobicContact CZ-CG 4.22Å; F76-W101 HydrophobicContact CB-CH2 4.31Å; F76-F139 HydrophobicContact CB-CE2 3.72Å; F76-F139 HydrophobicContact CB-CZ 4.06Å; F76-F139 AromaticContact CD1-CE2 3.8Å; F76-F139 HydrophobicContact CD1-CE2 3.8Å; F76-F139 AromaticContact CD1-CZ 3.64Å; F76-F139 HydrophobicContact CD1-CZ 3.64Å; F76-F139 HydrophobicContact CD2-CE2 4.16Å; F76-F139 AromaticContact CD2-CZ 3.58Å; F76-F139 HydrophobicContact CD2-CZ 3.58Å; F76-F139 HydrophobicContact CE1-CE2 4.45Å; F76-F139 AromaticContact CE1-CZ 3.89Å; F76-F139 HydrophobicContact CE1-CZ 3.89Å; F76-F139 AromaticContact CE2-CZ 3.86Å; F76-F139 HydrophobicContact CE2-CZ 3.86Å; F76-F139 AromaticContact CG-CE2 3.63Å; F76-F139 HydrophobicContact CG-CE2 3.63Å; F76-F139 AromaticContact CG-CZ 3.48Å; F76-F139 HydrophobicContact CG-CZ 3.48Å; F76-F139 VanDerWaalsContact CG-CZ 3.48Å; F76-F139 HydrophobicContact CZ-CZ 4.01Å
77	S	96.4	Very high	97.1	Very high	94 Å²	94	71.1 Å²	71.1	66%	0.657	37%	0.373	S	S	*	.	S	Bend	trans	-114	-3.1	173.8	56	0	0	0	0	113.6	Y59	Y59-S77 VanDerWaalsContact O-CA 3.3Å; Y59-S77 WeakPolarHBondContact O-CA 3.47Å; Y59-S77 WeakPolarHBondContact O-CB 3.34Å
78	G	95.6	Very high	97	Very high	29 Å²	29	68.5 Å²	68.5	30%	0.299	36%	0.36	S	S	.	.	S	Bend	trans	-146.9	-172.6	178.6	0	0	0	0	0	111.4	W101	G78-W101 VanDerWaalsContact O-CZ3 3.28Å; G78-W101 WeakPolarHBondContact O-CZ3 3.4Å
79	E	97.6	Very high	96.8	Very high	117 Å²	117	70.3 Å²	70.3	55%	0.547	37%	0.37	S	S	.	.			trans	-64.2	149.4	-177.8	66.5	178.4	-167	0	0	113.6	F139 R140	E79-F139 WeakPolarHBondContact CA-O 3.49Å; E79-R140 HydrophobicContact CB-CB 3.74Å
80	C	98.1	Very high	96.6	Very high	4 Å²	4	74.5 Å²	74.5	3%	0.027	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-133.1	112.6	172.2	-175.9	0	0	0	0	108.4	F76 S138 F139	F76-C80 HydrophobicContact CD1-CB 4.03Å; F76-C80 HydrophobicContact CE1-CB 3.96Å; C80-S138 CarbonylContact O-C 3.6Å; C80-S138 WeakPolarHBondContact O-CA 3.3Å; C80-S138 WeakPolarHBondContact O-CB 3.26Å; C80-F139 HydrophobicContact CB-CD2 4.09Å; C80-F139 HydrophobicContact CB-CE1 4.2Å; C80-F139 HydrophobicContact CB-CE2 3.54Å; C80-F139 HydrophobicContact CB-CZ 3.6Å; C80-F139 PolarHBondContact N-O 3.1Å; C80-F139 PolarHBondContact O-N 3.43Å
81	L	98.3	Very high	96.6	Very high	77 Å²	77	69.3 Å²	69.3	40%	0.403	36%	0.36	S	S	.	.	S	Bend	trans	-80.2	-19.7	-178.5	-57.9	-178.8	0	0	0	112.8	S107 N108 L109 S138	L81-S107 CarbonylContact O-C 3.54Å; L81-S107 WeakPolarHBondContact O-CA 3.37Å; L81-S107 WeakPolarHBondContact O-CB 3.29Å; L81-N108 PolarHBondContact O-N 2.78Å; L81-L109 HydrophobicContact CD2-CD1 4.03Å; L81-L109 HydrophobicContact CD2-CD2 4.21Å; L81-L109 HydrophobicContact CD2-CG 3.85Å; L81-S138 WeakPolarHBondContact O-CB 3.48Å
82	N	97.9	Very high	96.6	Very high	42 Å²	42	71.3 Å²	71.3	23%	0.225	35%	0.354	C	S	.	.			trans	-155.8	112.4	177.3	-175.6	14.3	0	0	0	111.1	G84 D85 M137	N82-G84 PolarHBondContact O-N 2.92Å; N82-G84 PolarHBondContact OD1-N 2.98Å; N82-D85 WeakPolarHBondContact CB-OD2 3.49Å; N82-D85 VanDerWaalsContact ND2-CG 3.34Å; N82-D85 PolarHBondContact ND2-OD1 3.45Å; N82-D85 PolarHBondContact ND2-OD2 3.23Å; N82-D85 PolarHBondContact O-N 3.13Å; N82-M137 CarbonylContact C-O 3.38Å; N82-M137 WeakPolarHBondContact CA-O 3.32Å
83	L	97.3	Very high	96.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-66.8	-24.9	175.8	-88.2	168.3	0	0	0	113.4	V63 F76 D85 R86 G87 F88 V91 L136 M137 F139	V63-L83 HydrophobicContact CG2-CD2 4.23Å; F76-L83 HydrophobicContact CE2-CD2 4.21Å; F76-L83 HydrophobicContact CZ-CD2 3.77Å; L83-D85 VanDerWaalsContact C-N 3.26Å; L83-D85 PolarHBondContact O-N 2.5Å; L83-R86 CarbonylContact O-C 3.58Å; L83-R86 WeakPolarHBondContact O-CA 3.38Å; L83-R86 WeakPolarHBondContact O-CB 3.12Å; L83-R86 PolarHBondContact O-N 2.89Å; L83-G87 PolarHBondContact O-N 3.21Å; L83-F88 CarbonylContact C-O 3.5Å; L83-F88 HydrophobicContact CB-CB 4.11Å; L83-F88 HydrophobicContact CD2-CB 4.19Å; L83-F88 HydrophobicContact CD2-CD2 4.26Å; L83-F88 HydrophobicContact CD2-CG 4.39Å; L83-F88 PolarHBondContact O-N 2.92Å; L83-F88 VanDerWaalsContact O-N 3.08Å; L83-V91 HydrophobicContact CD1-CG2 3.59Å; L83-L136 HydrophobicContact CD1-CD2 3.6Å; L83-L136 VanDerWaalsContact CD1-O 3.31Å; L83-L136 WeakPolarHBondContact CD1-O 3.45Å; L83-M137 HydrophobicContact CB-CE 4.28Å; L83-M137 PolarHBondContact N-O 2.82Å; L83-F139 HydrophobicContact CD1-CD1 4.34Å; L83-F139 HydrophobicContact CD1-CE1 3.87Å; L83-F139 HydrophobicContact CD2-CE1 3.83Å; L83-F139 HydrophobicContact CD2-CZ 4.25Å; L83-F139 HydrophobicContact CG-CE1 3.9Å
84	G	96.4	Very high	96.7	Very high	25 Å²	25	56.3 Å²	56.3	26%	0.258	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-59.4	-38.5	175.8	0	0	0	0	0	112	N82 R86 G87 F88	N82-G84 PolarHBondContact O-N 2.92Å; N82-G84 PolarHBondContact OD1-N 2.98Å; G84-R86 PolarHBondContact O-N 3.33Å; G84-R86 VanDerWaalsContact O-N 3.1Å; G84-G87 PolarHBondContact O-N 3.45Å; G84-F88 PolarHBondContact N-O 3.46Å
85	D	95.3	Very high	96.8	Very high	132 Å²	132	57.6 Å²	57.6	71%	0.706	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.2	-14.2	177.9	-56.2	-18.8	0	0	0	112.4	N82 L83	N82-D85 WeakPolarHBondContact CB-OD2 3.49Å; N82-D85 VanDerWaalsContact ND2-CG 3.34Å; N82-D85 PolarHBondContact ND2-OD1 3.45Å; N82-D85 PolarHBondContact ND2-OD2 3.23Å; N82-D85 PolarHBondContact O-N 3.13Å; L83-D85 VanDerWaalsContact C-N 3.26Å; L83-D85 PolarHBondContact O-N 2.5Å
86	R	94.1	Very high	96.8	Very high	140 Å²	140	52.6 Å²	52.6	53%	0.528	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-103.1	8.9	176.6	-54.9	-66.2	-103.4	-91.2	-2.5	112.3	F76 L83 G84 F88	F76-R86 HydrophobicContact CE1-CG 4.06Å; F76-R86 HydrophobicContact CZ-CB 4.31Å; F76-R86 HydrophobicContact CZ-CG 4.22Å; L83-R86 CarbonylContact O-C 3.58Å; L83-R86 WeakPolarHBondContact O-CA 3.38Å; L83-R86 WeakPolarHBondContact O-CB 3.12Å; L83-R86 PolarHBondContact O-N 2.89Å; G84-R86 PolarHBondContact O-N 3.33Å; G84-R86 VanDerWaalsContact O-N 3.1Å; R86-F88 HydrophobicContact CB-CD2 4.18Å; R86-F88 WeakPolarHBondContact O-CD2 3.17Å
87	G	95.1	Very high	96.6	Very high	33 Å²	33	54.3 Å²	54.3	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	26.7	178.5	0	0	0	0	0	114	R72 L83 G84	R72-G87 PolarHBondContact NH1-O 3.31Å; L83-G87 PolarHBondContact O-N 3.21Å; G84-G87 PolarHBondContact O-N 3.45Å
88	F	96.1	Very high	96.4	Very high	9 Å²	9	51 Å²	51	4%	0.039	27%	0.267	C	S	.	.			trans	-116.1	102.6	173.7	-70	-88.1	0	0	0	110.3	V63 E65 R72 R73 L83 G84 R86 V91	V63-F88 HydrophobicContact CG2-CD1 4.09Å; V63-F88 HydrophobicContact CG2-CD2 4.28Å; V63-F88 HydrophobicContact CG2-CE1 3.91Å; V63-F88 HydrophobicContact CG2-CE2 4.11Å; V63-F88 HydrophobicContact CG2-CG 4.29Å; V63-F88 HydrophobicContact CG2-CZ 3.93Å; E65-F88 HydrophobicContact CB-CE1 4.43Å; R72-F88 HydrophobicContact CB-CE1 4.39Å; R72-F88 HydrophobicContact CG-CE1 4.12Å; R72-F88 HydrophobicContact CG-CZ 3.87Å; R73-F88 VanDerWaalsContact C-CZ 3.49Å; L83-F88 CarbonylContact C-O 3.5Å; L83-F88 HydrophobicContact CB-CB 4.11Å; L83-F88 HydrophobicContact CD2-CB 4.19Å; L83-F88 HydrophobicContact CD2-CD2 4.26Å; L83-F88 HydrophobicContact CD2-CG 4.39Å; L83-F88 PolarHBondContact O-N 2.92Å; L83-F88 VanDerWaalsContact O-N 3.08Å; G84-F88 PolarHBondContact N-O 3.46Å; R86-F88 HydrophobicContact CB-CD2 4.18Å; R86-F88 WeakPolarHBondContact O-CD2 3.17Å; F88-V91 HydrophobicContact CB-CG2 4.49Å
89	D	93.3	Very high	96.2	Very high	127 Å²	127	50 Å²	50	68%	0.679	26%	0.257	S	S	*	.	S	Bend	trans	-79	-26.4	171	-65.7	-36.8	0	0	0	112
90	R	94.2	Very high	96.1	Very high	133 Å²	133	44.6 Å²	44.6	50%	0.502	23%	0.232	S	C	.	.			trans	-142.6	147.7	172.3	-66.5	-162.8	-166	-127.1	2.6	111.1	D134	R90-D134 IonicContact NH1-OD1 2.93Å; R90-D134 IonicContact NH1-OD2 3.45Å; R90-D134 PolarHBondContact NH1-OD2 2.79Å
91	V	97.8	Very high	96.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	23%	0.231	C	C	.	.			trans	-114.9	131.6	167.8	173.6	0	0	0	0	107.5	V63 L83 F88 I94 W127	V63-V91 HydrophobicContact CB-CG1 3.87Å; V63-V91 HydrophobicContact CB-CG2 3.9Å; V63-V91 HydrophobicContact CG1-CG1 4.2Å; V63-V91 HydrophobicContact CG1-CG2 4.24Å; V63-V91 HydrophobicContact CG2-CG2 4.22Å; L83-V91 HydrophobicContact CD1-CG2 3.59Å; F88-V91 HydrophobicContact CB-CG2 4.49Å; V91-I94 HydrophobicContact CG1-CD1 4.09Å; V91-I94 HydrophobicContact CG1-CG1 3.71Å; V91-W127 HydrophobicContact CG1-CH2 4.3Å
92	R	98.1	Very high	96.1	Very high	89 Å²	89	40.8 Å²	40.8	34%	0.336	21%	0.211	S	C	.	.			trans	-120.6	-19.1	-177.5	-72.6	-166.2	-179.2	-96.8	-1.3	114.2	F64 E65 E67 R123	F64-R92 PolarHBondContact O-N 3.11Å; E65-R92 WeakPolarHBondContact O-CB 3.3Å; E65-R92 WeakPolarHBondContact O-CD 3.42Å; E65-R92 VanDerWaalsContact O-CG 3.3Å; E65-R92 WeakPolarHBondContact O-CG 3.3Å; E67-R92 HydrophobicContact CG-CB 3.9Å; E67-R92 IonicContact OE1-NH1 3.81Å; R92-R123 VanDerWaalsContact O-CA 3.27Å; R92-R123 WeakPolarHBondContact O-CA 3.42Å
93	S	98.6	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.1	168.5	60.3	0	0	0	0	111.5	F64 Q66 F69 Y121 P122	F64-S93 VanDerWaalsContact CB-OG 3.28Å; F64-S93 WeakPolarHBondContact CB-OG 3.25Å; F64-S93 PolarHBondContact N-O 3.31Å; F64-S93 PolarHBondContact O-N 3.22Å; Q66-S93 WeakPolarHBondContact O-CB 3.18Å; Q66-S93 PolarHBondContact O-N 3.04Å; Q66-S93 PolarHBondContact O-OG 2.88Å; F69-S93 VanDerWaalsContact CA-OG 3.27Å; F69-S93 WeakPolarHBondContact CA-OG 3.41Å; F69-S93 PolarHBondContact N-OG 3.2Å; S93-Y121 CarbonylContact C-O 3.59Å; S93-Y121 VanDerWaalsContact CA-O 3.24Å; S93-Y121 WeakPolarHBondContact CA-O 3.34Å; S93-Y121 VanDerWaalsContact CB-O 3.29Å; S93-Y121 WeakPolarHBondContact CB-O 3.3Å; S93-P122 WeakPolarHBondContact CB-O 3.41Å
94	I	98.7	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.4	-175.2	-58.7	173.8	0	0	0	109.8	L61 V62 F69 V91 V96 L116 Y121 W127 L136	L61-I94 HydrophobicContact CD1-CG2 4.2Å; L61-I94 HydrophobicContact CD2-CG2 4.26Å; L61-I94 HydrophobicContact CG-CG2 3.94Å; V62-I94 CarbonylContact O-C 3.59Å; V62-I94 WeakPolarHBondContact O-CA 3.35Å; F69-I94 WeakPolarHBondContact CE1-O 3.28Å; V91-I94 HydrophobicContact CG1-CD1 4.09Å; V91-I94 HydrophobicContact CG1-CG1 3.71Å; I94-V96 HydrophobicContact CG2-CG2 4.05Å; I94-L116 HydrophobicContact CD1-CD1 3.96Å; I94-L116 HydrophobicContact CG2-CD1 4.42Å; I94-Y121 HydrophobicContact CB-CD2 4.44Å; I94-Y121 PolarHBondContact N-O 3.45Å; I94-Y121 WeakPolarHBondContact O-CB 3.16Å; I94-Y121 PolarHBondContact O-N 2.82Å; I94-W127 HydrophobicContact CD1-CD2 4.27Å; I94-W127 HydrophobicContact CD1-CE3 3.93Å; I94-W127 HydrophobicContact CD1-CH2 4.35Å; I94-W127 HydrophobicContact CD1-CZ3 3.98Å; I94-W127 HydrophobicContact CG1-CE3 4.23Å; I94-W127 HydrophobicContact CG1-CH2 4.48Å; I94-W127 HydrophobicContact CG1-CZ3 3.95Å; I94-L136 HydrophobicContact CD1-CD1 3.55Å
95	I	98.4	Very high	96.3	Very high	39 Å²	39	40.4 Å²	40.4	20%	0.2	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.7	165.7	-60	177.1	0	0	0	108.1	V62 F64 F69 E120	V62-I95 HydrophobicContact CB-CB 4.48Å; V62-I95 PolarHBondContact N-O 3.04Å; V62-I95 PolarHBondContact O-N 3.4Å; F64-I95 HydrophobicContact CE2-CB 4.36Å; F64-I95 HydrophobicContact CE2-CD1 3.83Å; F64-I95 HydrophobicContact CE2-CG1 3.85Å; F64-I95 HydrophobicContact CZ-CD1 3.99Å; F69-I95 HydrophobicContact CB-CD1 4.22Å; F69-I95 HydrophobicContact CD1-CD1 3.73Å; F69-I95 HydrophobicContact CD1-CG1 3.46Å; F69-I95 VanDerWaalsContact CD1-CG1 3.46Å; F69-I95 HydrophobicContact CD2-CD1 4.38Å; F69-I95 HydrophobicContact CE1-CD1 4.23Å; F69-I95 HydrophobicContact CE1-CG1 3.6Å; F69-I95 HydrophobicContact CG-CD1 3.82Å; F69-I95 HydrophobicContact CG-CG1 4.09Å; F69-I95 HydrophobicContact CZ-CG1 4.34Å; I95-E120 HydrophobicContact CG1-CG 4.34Å; I95-E120 HydrophobicContact CG2-CG 4.48Å
96	V	97.4	Very high	96.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	103.2	171	-178.1	0	0	0	0	107.8	L61 I94 L116 E117 K118 G119 Y121	L61-V96 HydrophobicContact CD1-CG2 4.11Å; L61-V96 HydrophobicContact CG-CG2 4.35Å; I94-V96 HydrophobicContact CG2-CG2 4.05Å; V96-L116 HydrophobicContact CG2-CB 3.87Å; V96-E117 WeakPolarHBondContact CB-O 3.46Å; V96-K118 WeakPolarHBondContact O-CA 3.31Å; V96-K118 WeakPolarHBondContact O-CG 3.32Å; V96-G119 PolarHBondContact N-O 2.6Å; V96-G119 PolarHBondContact O-N 2.88Å; V96-Y121 HydrophobicContact CG2-CD2 4.46Å; V96-Y121 HydrophobicContact CG2-CE2 4.04Å
97	S	94.2	Very high	96.6	Very high	45 Å²	45	33.7 Å²	33.7	32%	0.315	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-33.2	175.3	-60.3	0	0	0	0	111.7	R60 K118	R60-S97 PolarHBondContact O-N 3.23Å; S97-K118 VanDerWaalsContact O-CE 3.32Å; S97-K118 WeakPolarHBondContact O-CE 3.48Å
98	S	92.9	Very high	96.7	Very high	24 Å²	24	35.8 Å²	35.8	17%	0.168	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	129.6	178	179.9	0	0	0	0	110.1	N58 R60 W101	N58-S98 WeakPolarHBondContact O-CB 3.45Å; N58-S98 PolarHBondContact O-OG 2.92Å; R60-S98 PolarHBondContact N-O 2.68Å; R60-S98 PolarHBondContact O-N 2.91Å; S98-W101 PolarHBondContact O-NE1 3.24Å
99	G	91.6	Very high	96.8	Very high	8 Å²	8	37.7 Å²	37.7	8%	0.082	19%	0.19	C	C	.	.			trans	-151.8	-153.1	-168.5	0	0	0	0	0	110.8
100	P	95.1	Very high	97	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.026	18%	0.183	C	C	.	.			cis	-78.1	164	-1	30	-29.8	0	0	0	113.1	L116 E117 I142 M144 L232	P100-L116 CarbonylContact C-O 3.56Å; P100-L116 WeakPolarHBondContact CA-O 2.95Å; P100-E117 HydrophobicContact CB-CG 4.33Å; P100-I142 HydrophobicContact CB-CD1 4.31Å; P100-I142 HydrophobicContact CG-CB 4.26Å; P100-I142 PolarHBondContact O-N 3.17Å; P100-M144 VanDerWaalsContact CD-CG 3.42Å; P100-M144 HydrophobicContact CG-CE 4.38Å; P100-M144 HydrophobicContact CG-CG 3.82Å; P100-M144 HydrophobicContact CG-SD 3.39Å; P100-M144 WeakPolarHBondContact CG-SD 3.47Å; P100-L232 HydrophobicContact CB-CD1 4.34Å; P100-L232 HydrophobicContact CB-CD2 4.17Å; P100-L232 HydrophobicContact CB-CG 4.48Å; P100-L232 HydrophobicContact CG-CD1 4.37Å; P100-L232 HydrophobicContact CG-CD2 3.72Å; P100-L232 HydrophobicContact CG-CG 4.01Å
101	W	97.4	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.2	176.9	-62.9	73.4	0	0	0	110.3	L61 F76 G78 S98 L116 F139 R140 P141 I142	L61-W101 HydrophobicContact CB-CD2 3.91Å; L61-W101 HydrophobicContact CB-CE3 4.37Å; L61-W101 HydrophobicContact CB-CG 4.38Å; L61-W101 HydrophobicContact CB-CH2 4.13Å; L61-W101 HydrophobicContact CB-CZ2 3.62Å; L61-W101 HydrophobicContact CB-CZ3 4.48Å; L61-W101 HydrophobicContact CD1-CB 3.96Å; L61-W101 HydrophobicContact CD1-CD2 3.76Å; L61-W101 HydrophobicContact CD1-CE3 4.12Å; L61-W101 HydrophobicContact CD1-CG 3.67Å; L61-W101 HydrophobicContact CG-CD2 4.49Å; F76-W101 HydrophobicContact CB-CH2 4.31Å; G78-W101 VanDerWaalsContact O-CZ3 3.28Å; G78-W101 WeakPolarHBondContact O-CZ3 3.4Å; S98-W101 PolarHBondContact O-NE1 3.24Å; W101-L116 HydrophobicContact CB-CB 4.26Å; W101-L116 PolarHBondContact N-O 2.9Å; W101-L116 PolarHBondContact O-N 2.99Å; W101-F139 AromaticContact CE3-CD2 3.77Å; W101-F139 HydrophobicContact CE3-CD2 3.77Å; W101-F139 HydrophobicContact CE3-CE2 4.47Å; W101-F139 AromaticContact CZ3-CD2 3.64Å; W101-F139 HydrophobicContact CZ3-CD2 3.64Å; W101-F139 AromaticContact CZ3-CE2 4Å; W101-F139 HydrophobicContact CZ3-CE2 4Å; W101-R140 VanDerWaalsContact CE3-C 3.45Å; W101-P141 HydrophobicContact CE3-CG 4.06Å; W101-P141 HydrophobicContact CH2-CG 3.9Å; W101-P141 HydrophobicContact CZ2-CG 4.4Å; W101-P141 HydrophobicContact CZ3-CG 3.7Å; W101-I142 VanDerWaalsContact C-CD1 3.41Å; W101-I142 WeakPolarHBondContact O-CD1 3.29Å
102	V	98.4	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.5	163.4	55.3	0	0	0	0	107.7	F104 M113 F114 I115 F139 R140 I142 L207	V102-F104 HydrophobicContact CB-CE2 4.28Å; V102-F104 HydrophobicContact CB-CZ 4.46Å; V102-F104 HydrophobicContact CG1-CE2 3.79Å; V102-F104 HydrophobicContact CG1-CZ 4.02Å; V102-F104 HydrophobicContact CG2-CD2 4.42Å; V102-F104 HydrophobicContact CG2-CE1 4.25Å; V102-F104 HydrophobicContact CG2-CE2 3.74Å; V102-F104 HydrophobicContact CG2-CZ 3.64Å; V102-M113 HydrophobicContact CG2-CB 4.14Å; V102-M113 HydrophobicContact CG2-CG 4.48Å; V102-F114 WeakPolarHBondContact CA-O 3.38Å; V102-I115 HydrophobicContact CB-CD1 4.03Å; V102-I115 HydrophobicContact CG2-CD1 3.92Å; V102-F139 CarbonylContact O-C 3.27Å; V102-F139 WeakPolarHBondContact O-CA 3.47Å; V102-F139 VanDerWaalsContact O-CB 3.3Å; V102-F139 WeakPolarHBondContact O-CB 3.42Å; V102-R140 HydrophobicContact CG1-CG 3.55Å; V102-R140 PolarHBondContact N-O 3.02Å; V102-R140 PolarHBondContact O-N 2.86Å; V102-I142 HydrophobicContact CB-CD1 3.86Å; V102-I142 HydrophobicContact CB-CG1 3.89Å; V102-I142 HydrophobicContact CG1-CD1 4.35Å; V102-I142 HydrophobicContact CG1-CG1 3.81Å; V102-L207 HydrophobicContact CB-CD2 4.09Å; V102-L207 HydrophobicContact CG1-CD2 3.86Å; V102-L207 HydrophobicContact CG2-CD2 4.4Å
103	A	98.6	Very high	97.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	158.3	172.6	0	0	0	0	0	110.8	M113 F114 L116 L136 S138 F139	A103-M113 CarbonylContact O-C 3.48Å; A103-M113 WeakPolarHBondContact O-CA 3.43Å; A103-F114 HydrophobicContact CB-CB 4.38Å; A103-F114 HydrophobicContact CB-CD2 4.33Å; A103-F114 PolarHBondContact N-O 3.45Å; A103-F114 PolarHBondContact O-N 3.48Å; A103-L116 HydrophobicContact CB-CD1 3.72Å; A103-L116 HydrophobicContact CB-CG 4.34Å; A103-L136 HydrophobicContact CB-CD1 3.5Å; A103-L136 HydrophobicContact CB-CD2 4.18Å; A103-L136 HydrophobicContact CB-CG 3.82Å; A103-S138 CarbonylContact C-O 3.6Å; A103-S138 WeakPolarHBondContact CA-O 3.21Å; A103-F139 HydrophobicContact CB-CB 3.91Å
104	F	98.6	Very high	97.1	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.1	-172.1	-63.4	-93.3	0	0	0	110.5	V102 Q106 L109 R110 E112 M113 L136 M137 S138	V102-F104 HydrophobicContact CB-CE2 4.28Å; V102-F104 HydrophobicContact CB-CZ 4.46Å; V102-F104 HydrophobicContact CG1-CE2 3.79Å; V102-F104 HydrophobicContact CG1-CZ 4.02Å; V102-F104 HydrophobicContact CG2-CD2 4.42Å; V102-F104 HydrophobicContact CG2-CE1 4.25Å; V102-F104 HydrophobicContact CG2-CE2 3.74Å; V102-F104 HydrophobicContact CG2-CZ 3.64Å; F104-Q106 VanDerWaalsContact C-N 3.26Å; F104-Q106 PolarHBondContact O-N 2.98Å; F104-L109 HydrophobicContact CD1-CB 4.4Å; F104-L109 HydrophobicContact CD2-CB 3.9Å; F104-L109 HydrophobicContact CD2-CD2 3.56Å; F104-L109 HydrophobicContact CD2-CG 4.32Å; F104-L109 HydrophobicContact CE1-CB 4.23Å; F104-L109 HydrophobicContact CE2-CB 3.73Å; F104-L109 HydrophobicContact CE2-CD2 3.56Å; F104-L109 HydrophobicContact CE2-CG 4.14Å; F104-L109 HydrophobicContact CG-CB 4.23Å; F104-L109 HydrophobicContact CZ-CB 3.91Å; F104-R110 WeakPolarHBondContact CB-O 3.49Å; F104-E112 CarbonylContact C-O 3.59Å; F104-E112 VanDerWaalsContact CA-O 3.3Å; F104-E112 WeakPolarHBondContact CA-O 3.27Å; F104-M113 HydrophobicContact CD1-CG 3.95Å; F104-M113 HydrophobicContact CE1-CE 4.12Å; F104-M113 HydrophobicContact CE1-CG 3.68Å; F104-M113 HydrophobicContact CE1-SD 4.11Å; F104-L136 WeakPolarHBondContact O-CA 3.26Å; F104-M137 PolarHBondContact O-N 2.81Å; F104-S138 PolarHBondContact N-O 2.82Å; F104-S138 PolarHBondContact O-N 2.88Å
105	E	98	Very high	97.1	Very high	48 Å²	48	31.6 Å²	31.6	22%	0.224	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	-41.5	176.5	-179.6	-171.4	-165.6	0	0	112.6	E112 F114 S133 R135 M137	E105-E112 HydrophobicContact CB-CB 4.1Å; E105-E112 PolarHBondContact N-O 3.47Å; E105-E112 PolarHBondContact OE2-N 2.72Å; E105-F114 HydrophobicContact CB-CE2 4.38Å; E105-S133 WeakPolarHBondContact CG-OG 3.49Å; E105-S133 VanDerWaalsContact OE1-CB 3.25Å; E105-S133 WeakPolarHBondContact OE1-CB 3.43Å; E105-S133 PolarHBondContact OE1-OG 2.88Å; E105-R135 WeakPolarHBondContact CA-O 3.39Å; E105-R135 HydrophobicContact CG-CB 4.2Å; E105-M137 VanDerWaalsContact O-CG 3.3Å; E105-M137 WeakPolarHBondContact O-CG 3.48Å
106	Q	98.2	Very high	97	Very high	92 Å²	92	29.7 Å²	29.7	43%	0.43	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	168.5	-173.4	-52.5	174.7	19.1	0	0	111.2	F104 R110 S138	F104-Q106 VanDerWaalsContact C-N 3.26Å; F104-Q106 PolarHBondContact O-N 2.98Å; Q106-R110 WeakPolarHBondContact CA-O 3.24Å; Q106-R110 HydrophobicContact CB-CB 4.08Å; Q106-R110 VanDerWaalsContact CB-O 3.29Å; Q106-R110 WeakPolarHBondContact CB-O 3.29Å; Q106-R110 PolarHBondContact N-O 2.85Å; Q106-S138 PolarHBondContact O-OG 2.88Å
107	S	98.1	Very high	96.9	Very high	39 Å²	39	32.5 Å²	32.5	27%	0.273	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	158.9	174.1	59.5	0	0	0	0	111.3	L81 R110	L81-S107 CarbonylContact O-C 3.54Å; L81-S107 WeakPolarHBondContact O-CA 3.37Å; L81-S107 WeakPolarHBondContact O-CB 3.29Å; S107-R110 PolarHBondContact O-NE 2.94Å
108	N	97.9	Very high	96.9	Very high	76 Å²	76	37.7 Å²	37.7	41%	0.406	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	40.2	-180	-45.5	-82.2	0	0	0	113.1	L81 R110	L81-N108 PolarHBondContact O-N 2.78Å; N108-R110 PolarHBondContact ND2-NH2 2.84Å; N108-R110 PolarHBondContact O-N 2.82Å
109	L	97.8	Very high	97.1	Very high	49 Å²	49	37.9 Å²	37.9	26%	0.257	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	47.8	173.6	-45.9	178.2	0	0	0	112.9	L81 F104 S138 R140	L81-L109 HydrophobicContact CD2-CD1 4.03Å; L81-L109 HydrophobicContact CD2-CD2 4.21Å; L81-L109 HydrophobicContact CD2-CG 3.85Å; F104-L109 HydrophobicContact CD1-CB 4.4Å; F104-L109 HydrophobicContact CD2-CB 3.9Å; F104-L109 HydrophobicContact CD2-CD2 3.56Å; F104-L109 HydrophobicContact CD2-CG 4.32Å; F104-L109 HydrophobicContact CE1-CB 4.23Å; F104-L109 HydrophobicContact CE2-CB 3.73Å; F104-L109 HydrophobicContact CE2-CD2 3.56Å; F104-L109 HydrophobicContact CE2-CG 4.14Å; F104-L109 HydrophobicContact CG-CB 4.23Å; F104-L109 HydrophobicContact CZ-CB 3.91Å; L109-S138 WeakPolarHBondContact CA-OG 3.45Å; L109-S138 PolarHBondContact N-OG 2.93Å; L109-R140 HydrophobicContact CD1-CG 4.43Å; L109-R140 HydrophobicContact CD2-CB 4.46Å; L109-R140 HydrophobicContact CD2-CG 4.48Å
110	R	97.6	Very high	97.4	Very high	141 Å²	141	44 Å²	44	53%	0.532	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.3	-174.8	-78.1	-175.8	-88.1	-179.4	-9.8	112.9	F104 Q106 S107 N108	F104-R110 WeakPolarHBondContact CB-O 3.49Å; Q106-R110 WeakPolarHBondContact CA-O 3.24Å; Q106-R110 HydrophobicContact CB-CB 4.08Å; Q106-R110 VanDerWaalsContact CB-O 3.29Å; Q106-R110 WeakPolarHBondContact CB-O 3.29Å; Q106-R110 PolarHBondContact N-O 2.85Å; S107-R110 PolarHBondContact O-NE 2.94Å; N108-R110 PolarHBondContact ND2-NH2 2.84Å; N108-R110 PolarHBondContact O-N 2.82Å
111	G	97.1	Very high	97.5	Very high	35 Å²	35	45.2 Å²	45.2	36%	0.361	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84.1	-156	178.8	0	0	0	0	0	112.1
112	E	97.8	Very high	97.6	Very high	15 Å²	15	47 Å²	47	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140.8	178.3	179.3	172	-165.1	0	0	112	F104 E105 F114 S130 Y204	F104-E112 CarbonylContact C-O 3.59Å; F104-E112 VanDerWaalsContact CA-O 3.3Å; F104-E112 WeakPolarHBondContact CA-O 3.27Å; E105-E112 HydrophobicContact CB-CB 4.1Å; E105-E112 PolarHBondContact N-O 3.47Å; E105-E112 PolarHBondContact OE2-N 2.72Å; E112-F114 HydrophobicContact CB-CE1 4.45Å; E112-F114 HydrophobicContact CB-CZ 4.16Å; E112-F114 VanDerWaalsContact CD-CE1 3.43Å; E112-F114 HydrophobicContact CG-CD1 4.32Å; E112-F114 HydrophobicContact CG-CE1 3.6Å; E112-F114 HydrophobicContact CG-CZ 3.81Å; E112-S130 VanDerWaalsContact CD-OG 3.23Å; E112-S130 WeakPolarHBondContact OE1-CB 3.34Å; E112-S130 PolarHBondContact OE1-OG 2.92Å; E112-S130 PolarHBondContact OE2-OG 3.12Å; E112-Y204 HydrophobicContact CB-CE1 4.48Å; E112-Y204 HydrophobicContact CG-CD1 3.89Å; E112-Y204 HydrophobicContact CG-CE1 4.19Å; E112-Y204 WeakPolarHBondContact OE1-CD1 3.37Å
113	M	98.4	Very high	97.5	Very high	27 Å²	27	51.9 Å²	51.9	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	145.5	177	-53.2	-175.8	-168.2	0	0	111.6	V102 A103 F104 L207 W219	V102-M113 HydrophobicContact CG2-CB 4.14Å; V102-M113 HydrophobicContact CG2-CG 4.48Å; A103-M113 CarbonylContact O-C 3.48Å; A103-M113 WeakPolarHBondContact O-CA 3.43Å; F104-M113 HydrophobicContact CD1-CG 3.95Å; F104-M113 HydrophobicContact CE1-CE 4.12Å; F104-M113 HydrophobicContact CE1-CG 3.68Å; F104-M113 HydrophobicContact CE1-SD 4.11Å; M113-L207 HydrophobicContact SD-CB 4.03Å; M113-W219 WeakPolarHBondContact CE-O 3.47Å
114	F	98.1	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.9	174	-45.1	-69.3	0	0	0	109.3	V102 A103 E105 E112 L116 W127 L136	V102-F114 WeakPolarHBondContact CA-O 3.38Å; A103-F114 HydrophobicContact CB-CB 4.38Å; A103-F114 HydrophobicContact CB-CD2 4.33Å; A103-F114 PolarHBondContact N-O 3.45Å; A103-F114 PolarHBondContact O-N 3.48Å; E105-F114 HydrophobicContact CB-CE2 4.38Å; E112-F114 HydrophobicContact CB-CE1 4.45Å; E112-F114 HydrophobicContact CB-CZ 4.16Å; E112-F114 VanDerWaalsContact CD-CE1 3.43Å; E112-F114 HydrophobicContact CG-CD1 4.32Å; E112-F114 HydrophobicContact CG-CE1 3.6Å; E112-F114 HydrophobicContact CG-CZ 3.81Å; F114-L116 HydrophobicContact CB-CD2 4.34Å; F114-W127 AromaticContact CD1-CD1 3.77Å; F114-W127 AromaticContact CG-CD1 3.66Å; F114-L136 HydrophobicContact CD2-CD1 4.24Å
115	I	97.6	Very high	97.3	Very high	7 Å²	7	56 Å²	56	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.6	176.3	-53.3	-56.3	0	0	0	109.2	V102 I142 V194 L207 L232	V102-I115 HydrophobicContact CB-CD1 4.03Å; V102-I115 HydrophobicContact CG2-CD1 3.92Å; I115-I142 HydrophobicContact CD1-CD1 4.05Å; I115-I142 HydrophobicContact CG2-CD1 4.25Å; I115-V194 HydrophobicContact CB-CG2 4.48Å; I115-V194 HydrophobicContact CG1-CB 4.47Å; I115-V194 HydrophobicContact CG1-CG1 3.73Å; I115-V194 HydrophobicContact CG1-CG2 3.85Å; I115-V194 HydrophobicContact CG2-CG2 4.25Å; I115-L207 HydrophobicContact CD1-CB 4.14Å; I115-L207 HydrophobicContact CD1-CD1 4.14Å; I115-L232 HydrophobicContact CG2-CD1 3.65Å; I115-L232 HydrophobicContact CG2-CD2 4.26Å
116	L	97.1	Very high	97.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	100	-175.5	-50.5	175.9	0	0	0	109.3	L61 I94 V96 P100 W101 A103 F114 Y121 W127	L61-L116 HydrophobicContact CD1-CD1 3.87Å; I94-L116 HydrophobicContact CD1-CD1 3.96Å; I94-L116 HydrophobicContact CG2-CD1 4.42Å; V96-L116 HydrophobicContact CG2-CB 3.87Å; P100-L116 CarbonylContact C-O 3.56Å; P100-L116 WeakPolarHBondContact CA-O 2.95Å; W101-L116 HydrophobicContact CB-CB 4.26Å; W101-L116 PolarHBondContact N-O 2.9Å; W101-L116 PolarHBondContact O-N 2.99Å; A103-L116 HydrophobicContact CB-CD1 3.72Å; A103-L116 HydrophobicContact CB-CG 4.34Å; F114-L116 HydrophobicContact CB-CD2 4.34Å; L116-Y121 HydrophobicContact CB-CE2 4.36Å; L116-Y121 HydrophobicContact CD2-CE1 4.44Å; L116-Y121 HydrophobicContact CD2-CE2 4.39Å; L116-W127 HydrophobicContact CD2-CB 3.5Å; L116-W127 HydrophobicContact CD2-CG 4.23Å
117	E	94.9	Very high	97.1	Very high	60 Å²	60	52.4 Å²	52.4	28%	0.28	26%	0.261	S	S	.	.			trans	-80.8	170.6	172.3	-72.6	165.2	130.7	0	0	110.2	V96 P100 G119 Y121 R230 L232	V96-E117 WeakPolarHBondContact CB-O 3.46Å; P100-E117 HydrophobicContact CB-CG 4.33Å; E117-G119 PolarHBondContact O-N 2.83Å; E117-Y121 PolarHBondContact N-OH 3.37Å; E117-Y121 WeakPolarHBondContact O-CE2 3.42Å; E117-Y121 PolarHBondContact O-OH 2.92Å; E117-R230 VanDerWaalsContact CD-NH2 3.34Å; E117-R230 IonicContact OE1-CZ 3.78Å; E117-R230 IonicContact OE1-NH1 2.82Å; E117-R230 PolarHBondContact OE1-NH1 3.31Å; E117-R230 IonicContact OE1-NH2 2.72Å; E117-R230 PolarHBondContact OE1-NH2 2.63Å; E117-R230 IonicContact OE2-CZ 3.87Å; E117-R230 IonicContact OE2-NH1 3.37Å; E117-R230 IonicContact OE2-NH2 3.41Å; E117-R230 PolarHBondContact OE2-NH2 3.1Å; E117-L232 HydrophobicContact CG-CD1 4.01Å
118	K	94.8	Very high	96.9	Very high	155 Å²	155	50.8 Å²	50.8	67%	0.674	25%	0.25	S	S	*	.	S	Bend	trans	-58.5	123	177.2	-178.7	179.4	179.9	175.5	0	110.3	V96 S97	V96-K118 WeakPolarHBondContact O-CA 3.31Å; V96-K118 WeakPolarHBondContact O-CG 3.32Å; S97-K118 VanDerWaalsContact O-CE 3.32Å; S97-K118 WeakPolarHBondContact O-CE 3.48Å
119	G	95.4	Very high	96.7	Very high	27 Å²	27	48.5 Å²	48.5	28%	0.278	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-173	-176.4	0	0	0	0	0	113.8	V96 E117	V96-G119 PolarHBondContact N-O 2.6Å; V96-G119 PolarHBondContact O-N 2.88Å; E117-G119 PolarHBondContact O-N 2.83Å
120	E	98.1	Very high	96.4	Very high	136 Å²	136	47.1 Å²	47.1	64%	0.636	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.2	-179.2	-71.5	-174.9	-172	0	0	109.6	F69 I95 P122	F69-E120 HydrophobicContact CE1-CB 4.41Å; F69-E120 HydrophobicContact CE2-CB 4.32Å; F69-E120 HydrophobicContact CZ-CB 3.7Å; F69-E120 HydrophobicContact CZ-CG 4.27Å; I95-E120 HydrophobicContact CG1-CG 4.34Å; I95-E120 HydrophobicContact CG2-CG 4.48Å; E120-P122 WeakPolarHBondContact O-CD 3.3Å
121	Y	98.3	Very high	96.2	Very high	31 Å²	31	47.4 Å²	47.4	12%	0.122	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	86.5	-178.6	-59.6	-88.3	0	0	0	109	S93 I94 V96 L116 E117 R123 T126 W127	S93-Y121 CarbonylContact C-O 3.59Å; S93-Y121 VanDerWaalsContact CA-O 3.24Å; S93-Y121 WeakPolarHBondContact CA-O 3.34Å; S93-Y121 VanDerWaalsContact CB-O 3.29Å; S93-Y121 WeakPolarHBondContact CB-O 3.3Å; I94-Y121 HydrophobicContact CB-CD2 4.44Å; I94-Y121 PolarHBondContact N-O 3.45Å; I94-Y121 WeakPolarHBondContact O-CB 3.16Å; I94-Y121 PolarHBondContact O-N 2.82Å; V96-Y121 HydrophobicContact CG2-CD2 4.46Å; V96-Y121 HydrophobicContact CG2-CE2 4.04Å; L116-Y121 HydrophobicContact CB-CE2 4.36Å; L116-Y121 HydrophobicContact CD2-CE1 4.44Å; L116-Y121 HydrophobicContact CD2-CE2 4.39Å; E117-Y121 PolarHBondContact N-OH 3.37Å; E117-Y121 WeakPolarHBondContact O-CE2 3.42Å; E117-Y121 PolarHBondContact O-OH 2.92Å; Y121-R123 PolarHBondContact O-N 2.59Å; Y121-T126 VanDerWaalsContact CA-OG1 3.26Å; Y121-T126 WeakPolarHBondContact CA-OG1 3.36Å; Y121-T126 WeakPolarHBondContact CB-OG1 3.28Å; Y121-T126 WeakPolarHBondContact CD1-O 3.42Å; Y121-W127 HydrophobicContact CD1-CB 3.91Å; Y121-W127 HydrophobicContact CE1-CB 4.33Å; Y121-W127 HydrophobicContact CG-CB 4.48Å
122	P	98	Very high	96.1	Very high	37 Å²	37	54.4 Å²	54.4	24%	0.24	25%	0.252	C	S	.	.			trans	-70.6	-15.4	-169.3	26.7	-35.6	0	0	0	114.2	E67 N68 F69 S93 E120 T126	E67-P122 WeakPolarHBondContact CA-O 3.27Å; N68-P122 PolarHBondContact N-O 3.11Å; F69-P122 HydrophobicContact CE1-CB 4.45Å; F69-P122 HydrophobicContact CE2-CB 4.18Å; F69-P122 HydrophobicContact CZ-CB 3.78Å; S93-P122 WeakPolarHBondContact CB-O 3.41Å; E120-P122 WeakPolarHBondContact O-CD 3.3Å; P122-T126 HydrophobicContact CG-CG2 4.07Å
123	R	97.8	Very high	95.9	Very high	103 Å²	103	54.4 Å²	54.4	39%	0.389	25%	0.254	S	S	.	.	S	Bend	trans	-152	163.8	-179.1	-64.9	-164.5	-53.3	-112.8	-0.1	111.8	E67 R92 Y121 D125 T126 W127	E67-R123 HydrophobicContact CB-CG 4.1Å; E67-R123 HydrophobicContact CG-CG 3.93Å; E67-R123 WeakPolarHBondContact OE2-CD 3.32Å; E67-R123 WeakPolarHBondContact OE2-CG 3.11Å; R92-R123 VanDerWaalsContact O-CA 3.27Å; R92-R123 WeakPolarHBondContact O-CA 3.42Å; Y121-R123 PolarHBondContact O-N 2.59Å; R123-D125 VanDerWaalsContact C-N 3.31Å; R123-D125 WeakPolarHBondContact CB-OD1 3.41Å; R123-D125 IonicContact CZ-OD1 2.72Å; R123-D125 IonicContact CZ-OD2 3.75Å; R123-D125 IonicContact NE-OD1 3.56Å; R123-D125 PolarHBondContact NE-OD1 2.81Å; R123-D125 IonicContact NE-OD2 3.81Å; R123-D125 IonicContact NH2-OD1 2.77Å; R123-D125 IonicContact NH2-OD2 3.53Å; R123-D125 PolarHBondContact NH2-OD2 3.2Å; R123-D125 PolarHBondContact O-N 3.36Å; R123-T126 HydrophobicContact CB-CG2 4.38Å; R123-T126 WeakPolarHBondContact O-CB 3.42Å; R123-T126 PolarHBondContact O-N 2.86Å; R123-T126 PolarHBondContact O-OG1 3.35Å; R123-W127 WeakPolarHBondContact O-CZ3 3.46Å
124	W	96.6	Very high	95.7	Very high	64 Å²	64	56 Å²	56	24%	0.242	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.4	-33.3	-177.4	76.8	-85.8	0	0	0	114.9	T126 W127 S128 Y131 S133 D134	W124-T126 PolarHBondContact O-N 2.89Å; W124-W127 VanDerWaalsContact CA-CE2 3.49Å; W124-W127 VanDerWaalsContact CA-CH2 3.42Å; W124-W127 HydrophobicContact CB-CH2 3.72Å; W124-W127 HydrophobicContact CB-CZ2 3.4Å; W124-W127 VanDerWaalsContact CB-CZ2 3.4Å; W124-W127 HydrophobicContact CB-CZ3 4.41Å; W124-W127 PolarHBondContact O-N 3.34Å; W124-S128 PolarHBondContact O-N 3.2Å; W124-S128 VanDerWaalsContact O-N 3.11Å; W124-Y131 HydrophobicContact CH2-CD1 4.16Å; W124-S133 VanDerWaalsContact CE3-O 3.29Å; W124-S133 WeakPolarHBondContact CZ3-O 3.5Å; W124-D134 HydrophobicContact CB-CB 4.28Å; W124-D134 HydrophobicContact CD2-CB 3.61Å; W124-D134 HydrophobicContact CE3-CB 3.99Å; W124-D134 HydrophobicContact CG-CB 3.72Å
125	D	95.1	Very high	95.6	Very high	35 Å²	35	62.2 Å²	62.2	19%	0.187	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-68.7	-10.6	176.3	60.1	-37.6	0	0	0	113.1	R123 Y131	R123-D125 VanDerWaalsContact C-N 3.31Å; R123-D125 WeakPolarHBondContact CB-OD1 3.41Å; R123-D125 IonicContact CZ-OD1 2.72Å; R123-D125 IonicContact CZ-OD2 3.75Å; R123-D125 IonicContact NE-OD1 3.56Å; R123-D125 PolarHBondContact NE-OD1 2.81Å; R123-D125 IonicContact NE-OD2 3.81Å; R123-D125 IonicContact NH2-OD1 2.77Å; R123-D125 IonicContact NH2-OD2 3.53Å; R123-D125 PolarHBondContact NH2-OD2 3.2Å; R123-D125 PolarHBondContact O-N 3.36Å; D125-Y131 HydrophobicContact CB-CD1 4.41Å; D125-Y131 HydrophobicContact CB-CE1 3.71Å
126	T	96.2	Very high	95.6	Very high	56 Å²	56	62 Å²	62	34%	0.344	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-88.7	-19.1	177.5	68.9	0	0	0	0	113.7	Y121 P122 R123 W124	Y121-T126 VanDerWaalsContact CA-OG1 3.26Å; Y121-T126 WeakPolarHBondContact CA-OG1 3.36Å; Y121-T126 WeakPolarHBondContact CB-OG1 3.28Å; Y121-T126 WeakPolarHBondContact CD1-O 3.42Å; P122-T126 HydrophobicContact CG-CG2 4.07Å; R123-T126 HydrophobicContact CB-CG2 4.38Å; R123-T126 WeakPolarHBondContact O-CB 3.42Å; R123-T126 PolarHBondContact O-N 2.86Å; R123-T126 PolarHBondContact O-OG1 3.35Å; W124-T126 PolarHBondContact O-N 2.89Å
127	W	95.6	Very high	95.7	Very high	8 Å²	8	62.7 Å²	62.7	3%	0.03	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-25	171.9	66	71.7	0	0	0	113.5	V91 I94 F114 L116 Y121 R123 W124 L136 Q205	V91-W127 HydrophobicContact CG1-CH2 4.3Å; I94-W127 HydrophobicContact CD1-CD2 4.27Å; I94-W127 HydrophobicContact CD1-CE3 3.93Å; I94-W127 HydrophobicContact CD1-CH2 4.35Å; I94-W127 HydrophobicContact CD1-CZ3 3.98Å; I94-W127 HydrophobicContact CG1-CE3 4.23Å; I94-W127 HydrophobicContact CG1-CH2 4.48Å; I94-W127 HydrophobicContact CG1-CZ3 3.95Å; F114-W127 AromaticContact CD1-CD1 3.77Å; F114-W127 AromaticContact CG-CD1 3.66Å; L116-W127 HydrophobicContact CD2-CB 3.5Å; L116-W127 HydrophobicContact CD2-CG 4.23Å; Y121-W127 HydrophobicContact CD1-CB 3.91Å; Y121-W127 HydrophobicContact CE1-CB 4.33Å; Y121-W127 HydrophobicContact CG-CB 4.48Å; R123-W127 WeakPolarHBondContact O-CZ3 3.46Å; W124-W127 VanDerWaalsContact CA-CE2 3.49Å; W124-W127 VanDerWaalsContact CA-CH2 3.42Å; W124-W127 HydrophobicContact CB-CH2 3.72Å; W124-W127 HydrophobicContact CB-CZ2 3.4Å; W124-W127 VanDerWaalsContact CB-CZ2 3.4Å; W124-W127 HydrophobicContact CB-CZ3 4.41Å; W124-W127 PolarHBondContact O-N 3.34Å; W127-L136 HydrophobicContact CZ2-CD1 4.35Å; W127-Q205 PolarHBondContact O-NE2 3.06Å
128	S	94.8	Very high	95.8	Very high	5 Å²	5	59.8 Å²	59.8	4%	0.035	28%	0.275	C	S	.	.			trans	-84.6	123.3	176.4	-177.3	0	0	0	0	111.1	W124 S130 Y131	W124-S128 PolarHBondContact O-N 3.2Å; W124-S128 VanDerWaalsContact O-N 3.11Å; S128-S130 PolarHBondContact OG-N 3.3Å; S128-S130 PolarHBondContact OG-OG 3.19Å; S128-Y131 PolarHBondContact OG-N 3.13Å
129	S	92.9	Very high	96	Very high	28 Å²	28	52.5 Å²	52.5	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	-94.3	-4.4	172.9	51.1	0	0	0	0	113.4	G203 Q205	S129-G203 CarbonylContact C-O 3.57Å; S129-G203 WeakPolarHBondContact CB-O 3.29Å; S129-G203 WeakPolarHBondContact O-CA 3.45Å; S129-G203 PolarHBondContact O-N 2.9Å; S129-G203 PolarHBondContact OG-O 2.84Å; S129-Q205 WeakPolarHBondContact OG-CG 3.32Å; S129-Q205 PolarHBondContact OG-NE2 3.29Å
130	S	93.2	Very high	96.2	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.14	24%	0.24	C	C	.	.	S	Bend	trans	-104.8	-23.4	-177.3	79.5	0	0	0	0	113.7	E112 S128 R132	E112-S130 VanDerWaalsContact CD-OG 3.23Å; E112-S130 WeakPolarHBondContact OE1-CB 3.34Å; E112-S130 PolarHBondContact OE1-OG 2.92Å; E112-S130 PolarHBondContact OE2-OG 3.12Å; S128-S130 PolarHBondContact OG-N 3.3Å; S128-S130 PolarHBondContact OG-OG 3.19Å; S130-R132 PolarHBondContact O-N 3.41Å; S130-R132 WeakPolarHBondContact OG-CB 3.48Å; S130-R132 VanDerWaalsContact OG-CG 3.29Å; S130-R132 WeakPolarHBondContact OG-CG 3.39Å; S130-R132 PolarHBondContact OG-N 3.39Å; S130-R132 VanDerWaalsContact OG-N 3.13Å
131	Y	93.7	Very high	96.1	Very high	147 Å²	147	48.7 Å²	48.7	58%	0.576	22%	0.218	S	C	*	.			trans	58.8	26.8	-172.5	-68.4	-104.1	0	0	0	113.9	W124 D125 S128	W124-Y131 HydrophobicContact CH2-CD1 4.16Å; D125-Y131 HydrophobicContact CB-CD1 4.41Å; D125-Y131 HydrophobicContact CB-CE1 3.71Å; S128-Y131 PolarHBondContact OG-N 3.13Å
132	R	94.2	Very high	96	Very high	181 Å²	181	47.2 Å²	47.2	68%	0.683	21%	0.213	S	C	*	.	S	Bend	trans	-93.7	-30.9	-175.3	-61.1	-65.9	-67.6	162.8	0.9	114.1	S130 Y204	S130-R132 PolarHBondContact O-N 3.41Å; S130-R132 WeakPolarHBondContact OG-CB 3.48Å; S130-R132 VanDerWaalsContact OG-CG 3.29Å; S130-R132 WeakPolarHBondContact OG-CG 3.39Å; S130-R132 PolarHBondContact OG-N 3.39Å; S130-R132 VanDerWaalsContact OG-N 3.13Å; R132-Y204 HydrophobicContact CB-CE1 4.21Å; R132-Y204 HydrophobicContact CG-CE1 3.95Å; R132-Y204 WeakPolarHBondContact CG-OH 3.5Å; R132-Y204 PolarHBondContact NE-OH 3.27Å
133	S	92.4	Very high	95.5	Very high	16 Å²	16	51.6 Å²	51.6	11%	0.112	23%	0.228	C	C	.	.			trans	-145.4	135.3	-177.6	-162.4	0	0	0	0	111.2	E105 W124 R135	E105-S133 WeakPolarHBondContact CG-OG 3.49Å; E105-S133 VanDerWaalsContact OE1-CB 3.25Å; E105-S133 WeakPolarHBondContact OE1-CB 3.43Å; E105-S133 PolarHBondContact OE1-OG 2.88Å; W124-S133 VanDerWaalsContact CE3-O 3.29Å; W124-S133 WeakPolarHBondContact CZ3-O 3.5Å; S133-R135 VanDerWaalsContact C-N 3.28Å; S133-R135 PolarHBondContact OG-N 2.93Å
134	D	94.4	Very high	94.9	Very high	60 Å²	60	47.9 Å²	47.9	32%	0.321	22%	0.215	S	C	.	.			trans	-89	2.6	171.4	73.1	-28.6	0	0	0	112.2	R90 W124	R90-D134 IonicContact NH1-OD1 2.93Å; R90-D134 IonicContact NH1-OD2 3.45Å; R90-D134 PolarHBondContact NH1-OD2 2.79Å; W124-D134 HydrophobicContact CB-CB 4.28Å; W124-D134 HydrophobicContact CD2-CB 3.61Å; W124-D134 HydrophobicContact CE3-CB 3.99Å; W124-D134 HydrophobicContact CG-CB 3.72Å
135	R	96.6	Very high	93.9	Very high	131 Å²	131	47 Å²	47	49%	0.494	22%	0.216	S	C	.	.			trans	-94	141.7	-172	-159.7	171.2	-171.6	151.2	2.7	111.6	E105 S133 M137	E105-R135 WeakPolarHBondContact CA-O 3.39Å; E105-R135 HydrophobicContact CG-CB 4.2Å; S133-R135 VanDerWaalsContact C-N 3.28Å; S133-R135 PolarHBondContact OG-N 2.93Å; R135-M137 HydrophobicContact CG-CG 3.85Å; R135-M137 HydrophobicContact CG-SD 4.13Å; R135-M137 PolarHBondContact NE-SD 2.98Å
136	L	97.9	Very high	92.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.235	C	C	.	.			trans	-146.9	116.4	174	-174.1	157.9	0	0	0	107.9	L83 I94 A103 F104 F114 W127 F139	L83-L136 HydrophobicContact CD1-CD2 3.6Å; L83-L136 VanDerWaalsContact CD1-O 3.31Å; L83-L136 WeakPolarHBondContact CD1-O 3.45Å; I94-L136 HydrophobicContact CD1-CD1 3.55Å; A103-L136 HydrophobicContact CB-CD1 3.5Å; A103-L136 HydrophobicContact CB-CD2 4.18Å; A103-L136 HydrophobicContact CB-CG 3.82Å; F104-L136 WeakPolarHBondContact O-CA 3.26Å; F114-L136 HydrophobicContact CD2-CD1 4.24Å; W127-L136 HydrophobicContact CZ2-CD1 4.35Å; L136-F139 HydrophobicContact CD2-CD1 3.96Å; L136-F139 HydrophobicContact CD2-CE1 4.48Å
137	M	98.3	Very high	91.5	Very high	14 Å²	14	52 Å²	52	7%	0.069	24%	0.243	C	C	.	.			trans	-125.3	-15	-169.9	-65.4	-57.1	-52.4	0	0	114.2	N82 L83 F104 E105 R135	N82-M137 CarbonylContact C-O 3.38Å; N82-M137 WeakPolarHBondContact CA-O 3.32Å; L83-M137 HydrophobicContact CB-CE 4.28Å; L83-M137 PolarHBondContact N-O 2.82Å; F104-M137 PolarHBondContact O-N 2.81Å; E105-M137 VanDerWaalsContact O-CG 3.3Å; E105-M137 WeakPolarHBondContact O-CG 3.48Å; R135-M137 HydrophobicContact CG-CG 3.85Å; R135-M137 HydrophobicContact CG-SD 4.13Å; R135-M137 PolarHBondContact NE-SD 2.98Å
138	S	98.6	Very high	91.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.7	175.2	63.9	0	0	0	0	111.9	C80 L81 A103 F104 Q106 L109	C80-S138 CarbonylContact O-C 3.6Å; C80-S138 WeakPolarHBondContact O-CA 3.3Å; C80-S138 WeakPolarHBondContact O-CB 3.26Å; L81-S138 WeakPolarHBondContact O-CB 3.48Å; A103-S138 CarbonylContact C-O 3.6Å; A103-S138 WeakPolarHBondContact CA-O 3.21Å; F104-S138 PolarHBondContact N-O 2.82Å; F104-S138 PolarHBondContact O-N 2.88Å; Q106-S138 PolarHBondContact O-OG 2.88Å; L109-S138 WeakPolarHBondContact CA-OG 3.45Å; L109-S138 PolarHBondContact N-OG 2.93Å
139	F	98.7	Very high	91	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	160.5	178.4	47.5	-101.2	0	0	0	111.7	L61 V63 F76 E79 C80 L83 W101 V102 A103 L136	L61-F139 HydrophobicContact CD2-CE1 4.18Å; L61-F139 HydrophobicContact CD2-CE2 4.26Å; L61-F139 HydrophobicContact CD2-CZ 4.02Å; V63-F139 HydrophobicContact CG1-CE1 4.08Å; V63-F139 HydrophobicContact CG1-CZ 4.49Å; F76-F139 HydrophobicContact CB-CE2 3.72Å; F76-F139 HydrophobicContact CB-CZ 4.06Å; F76-F139 AromaticContact CD1-CE2 3.8Å; F76-F139 HydrophobicContact CD1-CE2 3.8Å; F76-F139 AromaticContact CD1-CZ 3.64Å; F76-F139 HydrophobicContact CD1-CZ 3.64Å; F76-F139 HydrophobicContact CD2-CE2 4.16Å; F76-F139 AromaticContact CD2-CZ 3.58Å; F76-F139 HydrophobicContact CD2-CZ 3.58Å; F76-F139 HydrophobicContact CE1-CE2 4.45Å; F76-F139 AromaticContact CE1-CZ 3.89Å; F76-F139 HydrophobicContact CE1-CZ 3.89Å; F76-F139 AromaticContact CE2-CZ 3.86Å; F76-F139 HydrophobicContact CE2-CZ 3.86Å; F76-F139 AromaticContact CG-CE2 3.63Å; F76-F139 HydrophobicContact CG-CE2 3.63Å; F76-F139 AromaticContact CG-CZ 3.48Å; F76-F139 HydrophobicContact CG-CZ 3.48Å; F76-F139 VanDerWaalsContact CG-CZ 3.48Å; F76-F139 HydrophobicContact CZ-CZ 4.01Å; E79-F139 WeakPolarHBondContact CA-O 3.49Å; C80-F139 HydrophobicContact CB-CD2 4.09Å; C80-F139 HydrophobicContact CB-CE1 4.2Å; C80-F139 HydrophobicContact CB-CE2 3.54Å; C80-F139 HydrophobicContact CB-CZ 3.6Å; C80-F139 PolarHBondContact N-O 3.1Å; C80-F139 PolarHBondContact O-N 3.43Å; L83-F139 HydrophobicContact CD1-CD1 4.34Å; L83-F139 HydrophobicContact CD1-CE1 3.87Å; L83-F139 HydrophobicContact CD2-CE1 3.83Å; L83-F139 HydrophobicContact CD2-CZ 4.25Å; L83-F139 HydrophobicContact CG-CE1 3.9Å; W101-F139 AromaticContact CE3-CD2 3.77Å; W101-F139 HydrophobicContact CE3-CD2 3.77Å; W101-F139 HydrophobicContact CE3-CE2 4.47Å; W101-F139 AromaticContact CZ3-CD2 3.64Å; W101-F139 HydrophobicContact CZ3-CD2 3.64Å; W101-F139 AromaticContact CZ3-CE2 4Å; W101-F139 HydrophobicContact CZ3-CE2 4Å; V102-F139 CarbonylContact O-C 3.27Å; V102-F139 WeakPolarHBondContact O-CA 3.47Å; V102-F139 VanDerWaalsContact O-CB 3.3Å; V102-F139 WeakPolarHBondContact O-CB 3.42Å; A103-F139 HydrophobicContact CB-CB 3.91Å; L136-F139 HydrophobicContact CD2-CD1 3.96Å; L136-F139 HydrophobicContact CD2-CE1 4.48Å
140	R	98.3	Very high	91.2	Very high	55 Å²	55	59.3 Å²	59.3	21%	0.208	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.1	170	64.2	167.1	179.8	94.4	-11.3	111.6	E79 W101 V102 L109 E209	E79-R140 HydrophobicContact CB-CB 3.74Å; W101-R140 VanDerWaalsContact CE3-C 3.45Å; V102-R140 HydrophobicContact CG1-CG 3.55Å; V102-R140 PolarHBondContact N-O 3.02Å; V102-R140 PolarHBondContact O-N 2.86Å; L109-R140 HydrophobicContact CD1-CG 4.43Å; L109-R140 HydrophobicContact CD2-CB 4.46Å; L109-R140 HydrophobicContact CD2-CG 4.48Å; R140-E209 IonicContact CZ-OE1 3.73Å; R140-E209 IonicContact CZ-OE2 3.04Å; R140-E209 IonicContact NH1-OE1 3.61Å; R140-E209 PolarHBondContact NH1-OE1 3.37Å; R140-E209 IonicContact NH1-OE2 3.5Å; R140-E209 VanDerWaalsContact NH2-CD 3.3Å; R140-E209 IonicContact NH2-OE1 2.85Å; R140-E209 PolarHBondContact NH2-OE1 2.88Å; R140-E209 IonicContact NH2-OE2 3.47Å; R140-E209 PolarHBondContact NH2-OE2 2.92Å
141	P	97.1	Very high	91.4	Very high	28 Å²	28	58.4 Å²	58.4	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	145.2	165	-23.7	34.9	0	0	0	111.4	Y59 W101	Y59-P141 HydrophobicContact CD1-CB 3.75Å; Y59-P141 HydrophobicContact CD1-CG 4.43Å; Y59-P141 HydrophobicContact CD2-CB 3.92Å; Y59-P141 HydrophobicContact CD2-CG 4.29Å; Y59-P141 HydrophobicContact CE1-CB 3.84Å; Y59-P141 HydrophobicContact CE2-CB 4.03Å; Y59-P141 HydrophobicContact CG-CB 3.81Å; Y59-P141 HydrophobicContact CG-CG 4.12Å; W101-P141 HydrophobicContact CE3-CG 4.06Å; W101-P141 HydrophobicContact CH2-CG 3.9Å; W101-P141 HydrophobicContact CZ2-CG 4.4Å; W101-P141 HydrophobicContact CZ3-CG 3.7Å
142	I	94.9	Very high	91.6	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-99.5	125.3	169.9	-57.4	167.6	0	0	0	107.6	Y59 P100 W101 V102 I115 M144 T192 L207 L232	Y59-I142 PolarHBondContact OH-O 2.96Å; P100-I142 HydrophobicContact CB-CD1 4.31Å; P100-I142 HydrophobicContact CG-CB 4.26Å; P100-I142 PolarHBondContact O-N 3.17Å; W101-I142 VanDerWaalsContact C-CD1 3.41Å; W101-I142 WeakPolarHBondContact O-CD1 3.29Å; V102-I142 HydrophobicContact CB-CD1 3.86Å; V102-I142 HydrophobicContact CB-CG1 3.89Å; V102-I142 HydrophobicContact CG1-CD1 4.35Å; V102-I142 HydrophobicContact CG1-CG1 3.81Å; I115-I142 HydrophobicContact CD1-CD1 4.05Å; I115-I142 HydrophobicContact CG2-CD1 4.25Å; I142-M144 HydrophobicContact CG2-SD 4.42Å; I142-M144 PolarHBondContact O-N 3.21Å; I142-T192 HydrophobicContact CG2-CG2 4.02Å; I142-L207 HydrophobicContact CD1-CD1 4.08Å; I142-L207 HydrophobicContact CD1-CD2 4.25Å; I142-L207 HydrophobicContact CG1-CD2 4.08Å; I142-L207 HydrophobicContact CG2-CD1 4.28Å; I142-L207 HydrophobicContact CG2-CD2 4.44Å; I142-L232 HydrophobicContact CB-CD2 4.37Å; I142-L232 HydrophobicContact CD1-CD2 3.57Å; I142-L232 HydrophobicContact CG2-CD2 3.87Å
143	K	88.4	Confident	91.9	Very high	130 Å²	130	43.4 Å²	43.4	57%	0.565	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-72.2	116.9	177.4	-177.7	-178.8	171.4	-175.2	0	109.2	L54	L54-K143 HydrophobicContact CD1-CD 4.15Å; L54-K143 VanDerWaalsContact CD1-NZ 3.3Å
144	M	85.1	Confident	92.2	Very high	24 Å²	24	44 Å²	44	12%	0.118	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-89.3	141.8	172.2	-59	-59.3	-68.9	0	0	110.4	P100 I142 L232 D234	P100-M144 VanDerWaalsContact CD-CG 3.42Å; P100-M144 HydrophobicContact CG-CE 4.38Å; P100-M144 HydrophobicContact CG-CG 3.82Å; P100-M144 HydrophobicContact CG-SD 3.39Å; P100-M144 WeakPolarHBondContact CG-SD 3.47Å; I142-M144 HydrophobicContact CG2-SD 4.42Å; I142-M144 PolarHBondContact O-N 3.21Å; M144-L232 HydrophobicContact CE-CB 4.46Å; M144-L232 HydrophobicContact CE-CG 4.16Å; M144-L232 WeakPolarHBondContact CE-O 3.09Å; M144-L232 HydrophobicContact SD-CD2 3.99Å; M144-L232 HydrophobicContact SD-CG 4.06Å; M144-D234 HydrophobicContact CE-CB 4.25Å; M144-D234 HydrophobicContact CG-CB 4.45Å
145	D	75.4	Confident	92.3	Very high	47 Å²	47	44.5 Å²	44.5	25%	0.251	21%	0.212	S	C	.	.			trans	-125.4	156.7	167.7	63	38.5	0	0	0	110.3	Q147	D145-Q147 HydrophobicContact CB-CG 4.19Å; D145-Q147 PolarHBondContact O-N 3.48Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.26Å; D145-Q147 PolarHBondContact OD1-N 2.71Å
146	S	67.8	Low	92.4	Very high	84 Å²	84	39 Å²	39	59%	0.587	20%	0.197	S	C	*	.			trans	-88.6	22.1	179.3	68.7	0	0	0	0	112.3
147	Q	73.3	Confident	92.4	Very high	112 Å²	112	40.2 Å²	40.2	52%	0.523	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-78.9	157.3	-173.8	-63.3	-64	-46.4	0	0	110.9	D145 H149	D145-Q147 HydrophobicContact CB-CG 4.19Å; D145-Q147 PolarHBondContact O-N 3.48Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.26Å; D145-Q147 PolarHBondContact OD1-N 2.71Å; Q147-H149 PolarHBondContact O-ND1 2.92Å
148	E	87.4	Confident	92.4	Very high	139 Å²	139	44 Å²	44	65%	0.65	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-55.9	144.3	164.4	-71.8	-169.6	-177.5	0	0	109.7	Q167 S190	E148-Q167 PolarHBondContact OE2-NE2 3.16Å; E148-S190 CarbonylContact O-C 3.51Å; E148-S190 WeakPolarHBondContact O-CB 3.41Å; E148-S190 PolarHBondContact O-OG 3.47Å
149	H	92.9	Very high	92.4	Very high	6 Å²	6	46 Å²	46	3%	0.028	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-97.4	120.6	-179.1	-73	59.1	0	0	0	108.9	Q147 Q167 G168 W193 R231 H238	Q147-H149 PolarHBondContact O-ND1 2.92Å; H149-Q167 VanDerWaalsContact O-CA 3.31Å; H149-Q167 WeakPolarHBondContact O-CA 3.46Å; H149-G168 PolarHBondContact O-N 3.49Å; H149-W193 VanDerWaalsContact C-CZ2 3.49Å; H149-W193 HydrophobicContact CB-CH2 4.11Å; H149-W193 HydrophobicContact CB-CZ2 3.52Å; H149-R231 HydrophobicContact CB-CG 3.81Å; H149-H238 AromaticContact CE1-NE2 4Å
150	K	96.3	Very high	92.4	Very high	49 Å²	49	52.6 Å²	52.6	21%	0.213	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.8	176.8	179.2	174.2	169.7	128.3	0	111.5	E165 Q167 T189 S190	K150-E165 WeakPolarHBondContact CE-OE1 3.37Å; K150-E165 WeakPolarHBondContact CE-OE2 3.46Å; K150-E165 HydrophobicContact CG-CG 4.48Å; K150-E165 IonicContact NZ-OE1 2.71Å; K150-E165 PolarHBondContact NZ-OE1 2.91Å; K150-E165 IonicContact NZ-OE2 2.86Å; K150-E165 PolarHBondContact NZ-OE2 3.26Å; K150-Q167 HydrophobicContact CB-CB 4.43Å; K150-Q167 HydrophobicContact CB-CG 4.21Å; K150-Q167 HydrophobicContact CG-CB 4.36Å; K150-Q167 HydrophobicContact CG-CG 4.47Å; K150-T189 HydrophobicContact CD-CG2 4.25Å; K150-T189 PolarHBondContact O-N 2.87Å; K150-S190 PolarHBondContact N-O 2.82Å; K150-S190 PolarHBondContact N-OG 3.19Å; K150-S190 PolarHBondContact O-N 2.9Å; K150-S190 VanDerWaalsContact O-N 3.15Å
151	I	97.9	Very high	92.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.2	-178.6	-168.9	173	0	0	0	111.2	L153 E165 I166 V186 K187 V188 W193 L208 L229	I151-L153 HydrophobicContact CD1-CD2 3.96Å; I151-L153 HydrophobicContact CG1-CD2 4.08Å; I151-E165 WeakPolarHBondContact O-CA 3.4Å; I151-I166 HydrophobicContact CG2-CB 3.99Å; I151-I166 PolarHBondContact N-O 3.04Å; I151-I166 PolarHBondContact O-N 3.01Å; I151-V186 HydrophobicContact CD1-CG1 3.66Å; I151-V186 HydrophobicContact CG1-CG1 3.75Å; I151-K187 CarbonylContact C-O 3.57Å; I151-K187 WeakPolarHBondContact CA-O 3.35Å; I151-K187 WeakPolarHBondContact CG1-O 3.08Å; I151-V188 HydrophobicContact CD1-CG2 3.85Å; I151-V188 HydrophobicContact CG1-CG2 4.04Å; I151-W193 HydrophobicContact CB-CD2 4.21Å; I151-W193 HydrophobicContact CB-CG 4.5Å; I151-W193 HydrophobicContact CB-CZ2 3.9Å; I151-W193 HydrophobicContact CD1-CB 4.17Å; I151-W193 HydrophobicContact CD1-CD2 4.29Å; I151-W193 HydrophobicContact CD1-CG 3.95Å; I151-W193 HydrophobicContact CG2-CD2 3.83Å; I151-W193 HydrophobicContact CG2-CE3 4.02Å; I151-W193 HydrophobicContact CG2-CH2 3.65Å; I151-W193 HydrophobicContact CG2-CZ2 3.42Å; I151-W193 VanDerWaalsContact CG2-CZ2 3.42Å; I151-W193 HydrophobicContact CG2-CZ3 3.95Å; I151-L208 HydrophobicContact CD1-CD1 4.06Å; I151-L229 HydrophobicContact CD1-CD1 4.27Å; I151-L229 HydrophobicContact CD1-CD2 3.97Å; I151-L229 HydrophobicContact CG2-CD2 3.54Å
152	S	98.4	Very high	92.4	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.1	173.2	-48	0	0	0	0	109.8	I164 V186 K187	S152-I164 CarbonylContact C-O 3.39Å; S152-I164 VanDerWaalsContact CA-O 3.3Å; S152-I164 WeakPolarHBondContact CA-O 3.39Å; S152-V186 WeakPolarHBondContact O-CA 3.4Å; S152-K187 PolarHBondContact N-O 2.86Å; S152-K187 PolarHBondContact O-N 2.83Å
153	L	98.6	Very high	92.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.8	176.9	-49.6	-179.9	0	0	0	109.1	I151 T163 I164 I166 L174 F179 V183 V186 L229	I151-L153 HydrophobicContact CD1-CD2 3.96Å; I151-L153 HydrophobicContact CG1-CD2 4.08Å; L153-T163 VanDerWaalsContact O-CA 3.28Å; L153-T163 WeakPolarHBondContact O-CA 3.38Å; L153-T163 PolarHBondContact O-OG1 3.05Å; L153-I164 HydrophobicContact CB-CD1 4.47Å; L153-I164 HydrophobicContact CB-CG1 3.95Å; L153-I164 HydrophobicContact CD1-CD1 3.96Å; L153-I164 HydrophobicContact CD1-CG1 4.33Å; L153-I164 HydrophobicContact CG-CG1 4.37Å; L153-I164 PolarHBondContact N-O 2.81Å; L153-I164 PolarHBondContact O-N 2.72Å; L153-I166 HydrophobicContact CD1-CD1 4.37Å; L153-L174 HydrophobicContact CD1-CD1 3.74Å; L153-L174 HydrophobicContact CD1-CD2 3.76Å; L153-L174 HydrophobicContact CD1-CG 4.43Å; L153-F179 HydrophobicContact CB-CE1 4.33Å; L153-F179 HydrophobicContact CB-CZ 4.37Å; L153-V183 HydrophobicContact CB-CG1 4.3Å; L153-V183 HydrophobicContact CB-CG2 4.46Å; L153-V183 HydrophobicContact CD1-CG2 4.3Å; L153-V183 HydrophobicContact CD2-CG1 4.35Å; L153-V186 HydrophobicContact CD2-CB 4.44Å; L153-V186 HydrophobicContact CD2-CG1 4.03Å; L153-V186 HydrophobicContact CD2-CG2 3.74Å; L153-L229 HydrophobicContact CD1-CD2 4.38Å
154	F	98.7	Very high	92.9	Very high	28 Å²	28	53.5 Å²	53.5	12%	0.123	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.9	-179.9	-60.4	-95.7	0	0	0	109.9	G156 F159 N162 T163 G184 S185 K187	F154-G156 VanDerWaalsContact C-N 3.34Å; F154-G156 PolarHBondContact O-N 2.91Å; F154-F159 HydrophobicContact CD1-CB 3.96Å; F154-F159 HydrophobicContact CD2-CB 4.2Å; F154-F159 AromaticContact CD2-CD1 3.83Å; F154-F159 HydrophobicContact CD2-CD1 3.83Å; F154-F159 HydrophobicContact CD2-CG 4.5Å; F154-F159 HydrophobicContact CE1-CB 3.94Å; F154-F159 HydrophobicContact CE2-CB 4.19Å; F154-F159 AromaticContact CE2-CD1 3.9Å; F154-F159 HydrophobicContact CE2-CD1 3.9Å; F154-F159 HydrophobicContact CE2-CG 4.42Å; F154-F159 HydrophobicContact CG-CB 4.1Å; F154-F159 HydrophobicContact CG-CD1 4.44Å; F154-F159 HydrophobicContact CZ-CB 4.06Å; F154-N162 WeakPolarHBondContact CA-O 3.34Å; F154-T163 WeakPolarHBondContact CE1-OG1 3.14Å; F154-G184 PolarHBondContact O-N 3.24Å; F154-S185 WeakPolarHBondContact CB-OG 3.43Å; F154-S185 PolarHBondContact N-O 3.35Å; F154-S185 PolarHBondContact O-N 2.87Å; F154-K187 HydrophobicContact CE2-CB 4.29Å; F154-K187 HydrophobicContact CE2-CD 4.12Å; F154-K187 HydrophobicContact CE2-CG 3.85Å; F154-K187 HydrophobicContact CZ-CD 4.34Å
155	E	98.1	Very high	93.5	Very high	70 Å²	70	57.3 Å²	57.3	33%	0.327	31%	0.313	S	S	.	.	S	Bend	trans	-64.4	-41.3	-176.8	-176.9	-176.5	-175.4	0	0	111.2	N162 F179 R182 G184	E155-N162 HydrophobicContact CB-CB 4.18Å; E155-N162 PolarHBondContact N-O 3.04Å; E155-N162 WeakPolarHBondContact OE2-CB 3.37Å; E155-N162 PolarHBondContact OE2-N 3.04Å; E155-F179 HydrophobicContact CB-CZ 4.17Å; E155-R182 HydrophobicContact CG-CB 4.46Å; E155-R182 PolarHBondContact O-NH1 2.59Å; E155-G184 WeakPolarHBondContact O-CA 3.25Å; E155-G184 PolarHBondContact O-N 2.99Å; E155-G184 VanDerWaalsContact O-N 3.09Å
156	G	98.3	Very high	94.5	Very high	17 Å²	17	55.4 Å²	55.4	18%	0.175	30%	0.303	C	S	.	.	S	Bend	trans	-96.5	167.1	178.8	0	0	0	0	0	113.5	F154 K160 G184 S185	F154-G156 VanDerWaalsContact C-N 3.34Å; F154-G156 PolarHBondContact O-N 2.91Å; G156-K160 VanDerWaalsContact CA-O 3.29Å; G156-K160 WeakPolarHBondContact CA-O 3.32Å; G156-K160 PolarHBondContact N-O 2.83Å; G156-G184 CarbonylContact O-C 3.55Å; G156-G184 VanDerWaalsContact O-C 3.27Å; G156-S185 WeakPolarHBondContact O-CB 3.49Å; G156-S185 PolarHBondContact O-N 3.36Å; G156-S185 VanDerWaalsContact O-N 3.14Å; G156-S185 PolarHBondContact O-OG 2.84Å
157	A	98.4	Very high	95.8	Very high	27 Å²	27	55.9 Å²	55.9	22%	0.223	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	163.3	168.7	0	0	0	0	0	111.1	F159 K160 R214 W216	A157-F159 PolarHBondContact O-N 2.89Å; A157-K160 WeakPolarHBondContact O-CG 3.44Å; A157-K160 PolarHBondContact O-N 2.83Å; A157-R214 CarbonylContact C-O 3.54Å; A157-R214 WeakPolarHBondContact CA-O 3.38Å; A157-R214 WeakPolarHBondContact CB-O 3.28Å; A157-W216 HydrophobicContact CB-CZ3 4.42Å
158	N	98.4	Very high	96.5	Very high	94 Å²	94	52.8 Å²	52.8	50%	0.503	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	35.5	179.6	-59.3	-64	0	0	0	114.1	R214	N158-R214 PolarHBondContact N-O 3.05Å
159	F	98.4	Very high	96.7	Very high	41 Å²	41	50.7 Å²	50.7	18%	0.18	29%	0.287	C	S	.	.	S	Bend	trans	60.4	45.1	176.6	-37	-59.7	0	0	0	113.1	F154 A157 S185 K187 D212 R214	F154-F159 HydrophobicContact CD1-CB 3.96Å; F154-F159 HydrophobicContact CD2-CB 4.2Å; F154-F159 AromaticContact CD2-CD1 3.83Å; F154-F159 HydrophobicContact CD2-CD1 3.83Å; F154-F159 HydrophobicContact CD2-CG 4.5Å; F154-F159 HydrophobicContact CE1-CB 3.94Å; F154-F159 HydrophobicContact CE2-CB 4.19Å; F154-F159 AromaticContact CE2-CD1 3.9Å; F154-F159 HydrophobicContact CE2-CD1 3.9Å; F154-F159 HydrophobicContact CE2-CG 4.42Å; F154-F159 HydrophobicContact CG-CB 4.1Å; F154-F159 HydrophobicContact CG-CD1 4.44Å; F154-F159 HydrophobicContact CZ-CB 4.06Å; A157-F159 PolarHBondContact O-N 2.89Å; F159-S185 VanDerWaalsContact CA-OG 3.28Å; F159-S185 WeakPolarHBondContact CA-OG 3.48Å; F159-S185 PolarHBondContact N-OG 2.99Å; F159-K187 HydrophobicContact CD1-CD 4.2Å; F159-K187 HydrophobicContact CD1-CG 3.72Å; F159-K187 VanDerWaalsContact CD2-CE 3.44Å; F159-K187 HydrophobicContact CE1-CD 4.23Å; F159-K187 HydrophobicContact CE1-CG 3.49Å; F159-K187 VanDerWaalsContact CE1-CG 3.49Å; F159-K187 HydrophobicContact CG-CD 4.49Å; F159-K187 VanDerWaalsContact CG-CE 3.41Å; F159-K187 HydrophobicContact CG-CG 4.47Å; F159-K187 HydrophobicContact CZ-CG 4.06Å; F159-D212 HydrophobicContact CZ-CB 3.93Å; F159-R214 HydrophobicContact CE1-CG 4.41Å; F159-R214 HydrophobicContact CE2-CG 3.76Å; F159-R214 HydrophobicContact CZ-CB 4.45Å; F159-R214 HydrophobicContact CZ-CG 3.55Å
160	K	98.2	Very high	96.8	Very high	140 Å²	140	52.5 Å²	52.5	61%	0.609	30%	0.297	S	S	*	.			trans	-115.4	162.9	-178.8	-58.9	-58.6	179.6	-176.2	0	111.5	G156 A157	G156-K160 VanDerWaalsContact CA-O 3.29Å; G156-K160 WeakPolarHBondContact CA-O 3.32Å; G156-K160 PolarHBondContact N-O 2.83Å; A157-K160 WeakPolarHBondContact O-CG 3.44Å; A157-K160 PolarHBondContact O-N 2.83Å
161	G	97.1	Very high	96.8	Very high	61 Å²	61	50.1 Å²	50.1	63%	0.629	29%	0.286	S	S	*	.	S	Bend	trans	83.4	-161.6	177.4	0	0	0	0	0	112.8
162	N	97.3	Very high	96.8	Very high	79 Å²	79	53.4 Å²	53.4	42%	0.422	31%	0.307	S	S	.	.	S	Bend	trans	-60.3	148.4	176	-168.8	24.4	0	0	0	110.7	F154 E155 F179	F154-N162 WeakPolarHBondContact CA-O 3.34Å; E155-N162 HydrophobicContact CB-CB 4.18Å; E155-N162 PolarHBondContact N-O 3.04Å; E155-N162 WeakPolarHBondContact OE2-CB 3.37Å; E155-N162 PolarHBondContact OE2-N 3.04Å; N162-F179 HydrophobicContact CB-CE2 4.22Å
163	T	97.8	Very high	96.8	Very high	70 Å²	70	53.9 Å²	53.9	43%	0.429	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.1	-178.1	-171.3	0	0	0	0	111.1	L153 F154	L153-T163 VanDerWaalsContact O-CA 3.28Å; L153-T163 WeakPolarHBondContact O-CA 3.38Å; L153-T163 PolarHBondContact O-OG1 3.05Å; F154-T163 WeakPolarHBondContact CE1-OG1 3.14Å
164	I	97.6	Very high	96.7	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.108	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.3	167.2	53.9	163.7	0	0	0	109.7	S152 L153 I166 L174 H177 F179	S152-I164 CarbonylContact C-O 3.39Å; S152-I164 VanDerWaalsContact CA-O 3.3Å; S152-I164 WeakPolarHBondContact CA-O 3.39Å; L153-I164 HydrophobicContact CB-CD1 4.47Å; L153-I164 HydrophobicContact CB-CG1 3.95Å; L153-I164 HydrophobicContact CD1-CD1 3.96Å; L153-I164 HydrophobicContact CD1-CG1 4.33Å; L153-I164 HydrophobicContact CG-CG1 4.37Å; L153-I164 PolarHBondContact N-O 2.81Å; L153-I164 PolarHBondContact O-N 2.72Å; I164-I166 HydrophobicContact CD1-CD1 4.24Å; I164-L174 HydrophobicContact CD1-CD2 4.01Å; I164-H177 HydrophobicContact CD1-CB 4.34Å; I164-F179 HydrophobicContact CB-CD2 4.12Å; I164-F179 HydrophobicContact CD1-CB 3.71Å; I164-F179 HydrophobicContact CD1-CD1 4.04Å; I164-F179 HydrophobicContact CD1-CD2 4.03Å; I164-F179 HydrophobicContact CD1-CG 3.65Å; I164-F179 HydrophobicContact CG1-CB 4.28Å; I164-F179 HydrophobicContact CG1-CD1 4.26Å; I164-F179 HydrophobicContact CG1-CD2 3.64Å; I164-F179 HydrophobicContact CG1-CE2 3.92Å; I164-F179 HydrophobicContact CG1-CG 3.8Å; I164-F179 HydrophobicContact CG1-CZ 4.35Å; I164-F179 HydrophobicContact CG2-CB 4.16Å; I164-F179 HydrophobicContact CG2-CD2 3.5Å; I164-F179 HydrophobicContact CG2-CE2 4.2Å; I164-F179 HydrophobicContact CG2-CG 4.12Å
165	E	97.5	Very high	96.5	Very high	105 Å²	105	58.6 Å²	58.6	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.3	172.9	-176	175.6	100.7	0	0	108.7	K150 I151	K150-E165 WeakPolarHBondContact CE-OE1 3.37Å; K150-E165 WeakPolarHBondContact CE-OE2 3.46Å; K150-E165 HydrophobicContact CG-CG 4.48Å; K150-E165 IonicContact NZ-OE1 2.71Å; K150-E165 PolarHBondContact NZ-OE1 2.91Å; K150-E165 IonicContact NZ-OE2 2.86Å; K150-E165 PolarHBondContact NZ-OE2 3.26Å; I151-E165 WeakPolarHBondContact O-CA 3.4Å
166	I	96	Very high	96.3	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.9	175.7	-58	165.7	0	0	0	106.6	I151 L153 I164 D169 A171 L174 W193 L229	I151-I166 HydrophobicContact CG2-CB 3.99Å; I151-I166 PolarHBondContact N-O 3.04Å; I151-I166 PolarHBondContact O-N 3.01Å; L153-I166 HydrophobicContact CD1-CD1 4.37Å; I164-I166 HydrophobicContact CD1-CD1 4.24Å; I166-D169 WeakPolarHBondContact CG2-O 3.46Å; I166-A171 HydrophobicContact CD1-CB 3.72Å; I166-L174 HydrophobicContact CD1-CD2 3.92Å; I166-W193 HydrophobicContact CB-CH2 4.34Å; I166-W193 HydrophobicContact CG2-CH2 3.84Å; I166-W193 HydrophobicContact CG2-CZ3 4.03Å; I166-L229 HydrophobicContact CD1-CD2 3.81Å
167	Q	95	Very high	96	Very high	94 Å²	94	64 Å²	64	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.1	178	-179.7	175.6	-3.5	0	0	109.2	E148 H149 K150 D169	E148-Q167 PolarHBondContact OE2-NE2 3.16Å; H149-Q167 VanDerWaalsContact O-CA 3.31Å; H149-Q167 WeakPolarHBondContact O-CA 3.46Å; K150-Q167 HydrophobicContact CB-CB 4.43Å; K150-Q167 HydrophobicContact CB-CG 4.21Å; K150-Q167 HydrophobicContact CG-CB 4.36Å; K150-Q167 HydrophobicContact CG-CG 4.47Å; Q167-D169 PolarHBondContact O-N 3.36Å
168	G	88.1	Confident	95.6	Very high	47 Å²	47	65.6 Å²	65.6	49%	0.485	38%	0.375	S	S	.	.	S	Bend	trans	63.5	15.1	171.5	0	0	0	0	0	115.2	H149 R231	H149-G168 PolarHBondContact O-N 3.49Å; G168-R231 PolarHBondContact O-NH1 2.96Å
169	D	91.9	Very high	95.5	Very high	94 Å²	94	61.5 Å²	61.5	50%	0.503	35%	0.353	S	S	.	.	S	Bend	trans	-143.7	162.7	174.8	-150.5	0.1	0	0	0	113.3	I166 Q167 W193 R231	I166-D169 WeakPolarHBondContact CG2-O 3.46Å; Q167-D169 PolarHBondContact O-N 3.36Å; D169-W193 WeakPolarHBondContact O-CZ3 3.4Å; D169-R231 VanDerWaalsContact C-CZ 3.43Å; D169-R231 VanDerWaalsContact CA-CZ 3.41Å; D169-R231 VanDerWaalsContact CA-NH1 3.32Å; D169-R231 VanDerWaalsContact N-NH1 3.19Å; D169-R231 IonicContact OD1-NH2 3.57Å
170	D	95.1	Very high	95.2	Very high	44 Å²	44	60.8 Å²	60.8	24%	0.235	35%	0.353	C	S	.	.			trans	-96	148	170	-57.5	-47.2	0	0	0	110.1	P172 R230 R231	D170-P172 WeakPolarHBondContact O-CD 3.11Å; D170-R230 HydrophobicContact CB-CB 4.29Å; D170-R230 WeakPolarHBondContact OD1-CA 3.42Å; D170-R231 WeakPolarHBondContact OD1-CB 2.98Å; D170-R231 WeakPolarHBondContact OD1-CG 3.47Å; D170-R231 IonicContact OD1-CZ 3.47Å; D170-R231 PolarHBondContact OD1-N 3Å; D170-R231 IonicContact OD1-NE 3.75Å; D170-R231 PolarHBondContact OD1-NE 3.14Å; D170-R231 IonicContact OD1-NH2 2.79Å; D170-R231 PolarHBondContact OD1-NH2 3.24Å; D170-R231 IonicContact OD2-CZ 2.81Å; D170-R231 IonicContact OD2-NE 3.52Å; D170-R231 IonicContact OD2-NH2 3.6Å; D170-R231 PolarHBondContact OD2-NH2 3.45Å
171	A	96.7	Very high	95.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-118.4	90.2	179.7	0	0	0	0	0	110.4	I166 S173 L174 S228 L229	I166-A171 HydrophobicContact CD1-CB 3.72Å; A171-S173 PolarHBondContact O-N 2.77Å; A171-S173 VanDerWaalsContact O-N 3.15Å; A171-L174 HydrophobicContact CB-CD2 4.04Å; A171-S228 CarbonylContact O-C 3.57Å; A171-S228 VanDerWaalsContact O-CA 3.26Å; A171-S228 WeakPolarHBondContact O-CA 3.43Å; A171-S228 VanDerWaalsContact O-CB 3.27Å; A171-S228 WeakPolarHBondContact O-CB 3.45Å; A171-L229 CarbonylContact C-O 3.56Å; A171-L229 WeakPolarHBondContact CA-O 3.4Å; A171-L229 HydrophobicContact CB-CB 4.45Å; A171-L229 PolarHBondContact N-O 3.37Å; A171-L229 PolarHBondContact O-N 3.36Å
172	P	97	Very high	95.2	Very high	68 Å²	68	58.5 Å²	58.5	44%	0.442	33%	0.326	S	S	.	.	S	Bend	trans	-65.7	-14.2	175.7	26.8	-34.2	0	0	0	112.9	D170 P199 G200 Y201 S228	D170-P172 WeakPolarHBondContact O-CD 3.11Å; P172-P199 CarbonylContact O-C 3.57Å; P172-P199 WeakPolarHBondContact O-CA 3.27Å; P172-G200 PolarHBondContact O-N 3.17Å; P172-Y201 HydrophobicContact CB-CE1 4.35Å; P172-Y201 HydrophobicContact CB-CE2 4.34Å; P172-S228 VanDerWaalsContact O-CB 3.26Å; P172-S228 WeakPolarHBondContact O-CB 3.43Å
173	S	97.6	Very high	95.3	Very high	25 Å²	25	54.8 Å²	54.8	18%	0.175	31%	0.306	C	S	.	.			trans	-152.5	117.7	172.7	179.6	0	0	0	0	110.4	A171 W175 V176 Q227	A171-S173 PolarHBondContact O-N 2.77Å; A171-S173 VanDerWaalsContact O-N 3.15Å; S173-W175 PolarHBondContact O-N 2.81Å; S173-V176 PolarHBondContact O-N 2.92Å; S173-Q227 CarbonylContact C-O 3.55Å; S173-Q227 WeakPolarHBondContact CA-O 3.3Å
174	L	96.9	Very high	95.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.9	176	-63	-175	0	0	0	112.3	L153 I164 I166 A171 V176 H177 F179 V183 M226 Q227 L229	L153-L174 HydrophobicContact CD1-CD1 3.74Å; L153-L174 HydrophobicContact CD1-CD2 3.76Å; L153-L174 HydrophobicContact CD1-CG 4.43Å; I164-L174 HydrophobicContact CD1-CD2 4.01Å; I166-L174 HydrophobicContact CD1-CD2 3.92Å; A171-L174 HydrophobicContact CB-CD2 4.04Å; L174-V176 PolarHBondContact O-N 2.63Å; L174-H177 PolarHBondContact O-N 3.09Å; L174-F179 HydrophobicContact CB-CB 4.11Å; L174-F179 HydrophobicContact CD1-CD1 4.21Å; L174-F179 WeakPolarHBondContact O-CB 3.46Å; L174-F179 PolarHBondContact O-N 3.24Å; L174-V183 HydrophobicContact CD1-CG2 4Å; L174-M226 HydrophobicContact CD1-CG 4.48Å; L174-M226 WeakPolarHBondContact CD1-O 3.48Å; L174-Q227 PolarHBondContact N-O 2.96Å; L174-L229 HydrophobicContact CD2-CB 4.4Å
175	W	95.9	Very high	95.4	Very high	126 Å²	126	50.4 Å²	50.4	48%	0.477	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.9	-31	175.7	-57.4	99.2	0	0	0	113	S173 H177 G178 D181	S173-W175 PolarHBondContact O-N 2.81Å; W175-H177 PolarHBondContact O-N 2.87Å; W175-G178 PolarHBondContact O-N 2.92Å; W175-D181 HydrophobicContact CH2-CB 4.45Å; W175-D181 HydrophobicContact CZ2-CB 3.76Å
176	V	93.9	Very high	95.4	Very high	118 Å²	118	45.4 Å²	45.4	72%	0.715	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.6	177.6	177.3	0	0	0	0	111.3	S173 L174 G178	S173-V176 PolarHBondContact O-N 2.92Å; L174-V176 PolarHBondContact O-N 2.63Å; V176-G178 VanDerWaalsContact C-N 3.29Å
177	H	90.7	Very high	95.5	Very high	84 Å²	84	48.3 Å²	48.3	39%	0.389	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-91.3	13.3	175.4	-59.2	-86	0	0	0	112.6	I164 L174 W175 F179	I164-H177 HydrophobicContact CD1-CB 4.34Å; L174-H177 PolarHBondContact O-N 3.09Å; W175-H177 PolarHBondContact O-N 2.87Å; H177-F179 PolarHBondContact O-N 2.97Å
178	G	91	Very high	95.7	Very high	60 Å²	60	44 Å²	44	62%	0.619	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	19.7	-179	0	0	0	0	0	114	W175 V176	W175-G178 PolarHBondContact O-N 2.92Å; V176-G178 VanDerWaalsContact C-N 3.29Å
179	F	95	Very high	96	Very high	7 Å²	7	46 Å²	46	3%	0.031	25%	0.253	C	S	.	.			trans	-95.5	174.3	177	-146.9	-115.6	0	0	0	112	L153 E155 N162 I164 L174 H177 R182 V183	L153-F179 HydrophobicContact CB-CE1 4.33Å; L153-F179 HydrophobicContact CB-CZ 4.37Å; E155-F179 HydrophobicContact CB-CZ 4.17Å; N162-F179 HydrophobicContact CB-CE2 4.22Å; I164-F179 HydrophobicContact CB-CD2 4.12Å; I164-F179 HydrophobicContact CD1-CB 3.71Å; I164-F179 HydrophobicContact CD1-CD1 4.04Å; I164-F179 HydrophobicContact CD1-CD2 4.03Å; I164-F179 HydrophobicContact CD1-CG 3.65Å; I164-F179 HydrophobicContact CG1-CB 4.28Å; I164-F179 HydrophobicContact CG1-CD1 4.26Å; I164-F179 HydrophobicContact CG1-CD2 3.64Å; I164-F179 HydrophobicContact CG1-CE2 3.92Å; I164-F179 HydrophobicContact CG1-CG 3.8Å; I164-F179 HydrophobicContact CG1-CZ 4.35Å; I164-F179 HydrophobicContact CG2-CB 4.16Å; I164-F179 HydrophobicContact CG2-CD2 3.5Å; I164-F179 HydrophobicContact CG2-CE2 4.2Å; I164-F179 HydrophobicContact CG2-CG 4.12Å; L174-F179 HydrophobicContact CB-CB 4.11Å; L174-F179 HydrophobicContact CD1-CD1 4.21Å; L174-F179 WeakPolarHBondContact O-CB 3.46Å; L174-F179 PolarHBondContact O-N 3.24Å; H177-F179 PolarHBondContact O-N 2.97Å; F179-R182 WeakPolarHBondContact CE1-O 3.5Å; F179-V183 HydrophobicContact CD1-CG2 4.45Å; F179-V183 HydrophobicContact CE1-CG2 3.85Å
180	S	93.9	Very high	96.1	Very high	27 Å²	27	42.8 Å²	42.8	19%	0.189	24%	0.237	C	C	.	.			trans	-103.8	-177.1	175.8	67.6	0	0	0	0	111.5	R182	S180-R182 PolarHBondContact O-N 2.66Å; S180-R182 PolarHBondContact OG-N 3.01Å
181	D	95.9	Very high	96	Very high	58 Å²	58	40.7 Å²	40.7	31%	0.31	23%	0.226	S	C	.	.	S	Bend	trans	-79	-0.5	170	66.7	-27.3	0	0	0	113.7	W175 Q225 M226 Q227	W175-D181 HydrophobicContact CH2-CB 4.45Å; W175-D181 HydrophobicContact CZ2-CB 3.76Å; D181-Q225 HydrophobicContact CB-CG 4.44Å; D181-Q225 CarbonylContact O-C 3.57Å; D181-Q225 VanDerWaalsContact O-CA 3.26Å; D181-Q225 WeakPolarHBondContact O-CA 3.37Å; D181-Q225 PolarHBondContact OD2-NE2 3.24Å; D181-M226 CarbonylContact C-O 3.58Å; D181-M226 PolarHBondContact O-N 2.9Å; D181-Q227 HydrophobicContact CB-CG 3.36Å
182	R	98.3	Very high	95.9	Very high	95 Å²	95	40.8 Å²	40.8	36%	0.358	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-100	113.7	-177.4	-166.1	-173.2	-163.9	-71.5	-3.1	111.6	E155 F179 S180 P224	E155-R182 HydrophobicContact CG-CB 4.46Å; E155-R182 PolarHBondContact O-NH1 2.59Å; F179-R182 WeakPolarHBondContact CE1-O 3.5Å; S180-R182 PolarHBondContact O-N 2.66Å; S180-R182 PolarHBondContact OG-N 3.01Å; R182-P224 CarbonylContact C-O 3.55Å; R182-P224 VanDerWaalsContact CA-O 3.26Å; R182-P224 WeakPolarHBondContact CA-O 3.39Å; R182-P224 HydrophobicContact CG-CB 4.26Å; R182-P224 HydrophobicContact CG-CG 4.22Å
183	V	98.7	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.			trans	-118.1	107.5	171.4	179.2	0	0	0	0	109	L153 L174 F179 V186 W219 P224 M226	L153-V183 HydrophobicContact CB-CG1 4.3Å; L153-V183 HydrophobicContact CB-CG2 4.46Å; L153-V183 HydrophobicContact CD1-CG2 4.3Å; L153-V183 HydrophobicContact CD2-CG1 4.35Å; L174-V183 HydrophobicContact CD1-CG2 4Å; F179-V183 HydrophobicContact CD1-CG2 4.45Å; F179-V183 HydrophobicContact CE1-CG2 3.85Å; V183-V186 HydrophobicContact CG1-CG2 3.59Å; V183-W219 HydrophobicContact CG1-CH2 4.07Å; V183-W219 HydrophobicContact CG1-CZ2 4.17Å; V183-W219 WeakPolarHBondContact O-CZ2 3.45Å; V183-P224 PolarHBondContact N-O 3.15Å; V183-P224 WeakPolarHBondContact O-CA 3.48Å; V183-P224 WeakPolarHBondContact O-CB 3.39Å; V183-M226 HydrophobicContact CB-CB 4.06Å; V183-M226 HydrophobicContact CG1-CE 4.49Å; V183-M226 HydrophobicContact CG2-CB 3.77Å; V183-M226 HydrophobicContact CG2-CG 4.41Å; V183-M226 HydrophobicContact CG2-SD 4.28Å
184	G	98.6	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.			trans	-93.5	-27.2	-176.4	0	0	0	0	0	114.5	F154 E155 G156 W216	F154-G184 PolarHBondContact O-N 3.24Å; E155-G184 WeakPolarHBondContact O-CA 3.25Å; E155-G184 PolarHBondContact O-N 2.99Å; E155-G184 VanDerWaalsContact O-N 3.09Å; G156-G184 CarbonylContact O-C 3.55Å; G156-G184 VanDerWaalsContact O-C 3.27Å; G184-W216 PolarHBondContact O-N 3.46Å
185	S	98.8	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	159.1	174.2	52.5	0	0	0	0	111.5	F154 G156 F159 F213 R214	F154-S185 WeakPolarHBondContact CB-OG 3.43Å; F154-S185 PolarHBondContact N-O 3.35Å; F154-S185 PolarHBondContact O-N 2.87Å; G156-S185 WeakPolarHBondContact O-CB 3.49Å; G156-S185 PolarHBondContact O-N 3.36Å; G156-S185 VanDerWaalsContact O-N 3.14Å; G156-S185 PolarHBondContact O-OG 2.84Å; F159-S185 VanDerWaalsContact CA-OG 3.28Å; F159-S185 WeakPolarHBondContact CA-OG 3.48Å; F159-S185 PolarHBondContact N-OG 2.99Å; S185-F213 CarbonylContact C-O 3.52Å; S185-F213 WeakPolarHBondContact CA-O 3.38Å; S185-F213 WeakPolarHBondContact CB-O 3.3Å; S185-R214 WeakPolarHBondContact CB-O 3.39Å
186	V	98.8	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.3	-172.4	175.3	0	0	0	0	110	I151 S152 L153 V183 V188 L208 F213 W219	I151-V186 HydrophobicContact CD1-CG1 3.66Å; I151-V186 HydrophobicContact CG1-CG1 3.75Å; S152-V186 WeakPolarHBondContact O-CA 3.4Å; L153-V186 HydrophobicContact CD2-CB 4.44Å; L153-V186 HydrophobicContact CD2-CG1 4.03Å; L153-V186 HydrophobicContact CD2-CG2 3.74Å; V183-V186 HydrophobicContact CG1-CG2 3.59Å; V186-V188 HydrophobicContact CG1-CG2 3.83Å; V186-L208 HydrophobicContact CG1-CD1 4.47Å; V186-L208 HydrophobicContact CG1-CD2 4.42Å; V186-F213 HydrophobicContact CB-CB 4.28Å; V186-F213 HydrophobicContact CB-CD2 4.34Å; V186-F213 HydrophobicContact CG1-CD2 4.41Å; V186-F213 PolarHBondContact N-O 3.08Å; V186-F213 PolarHBondContact O-N 2.96Å; V186-W219 HydrophobicContact CB-CZ3 4.17Å; V186-W219 HydrophobicContact CG2-CE3 4.25Å; V186-W219 HydrophobicContact CG2-CH2 3.85Å; V186-W219 HydrophobicContact CG2-CZ2 4.45Å; V186-W219 HydrophobicContact CG2-CZ3 3.75Å
187	K	98.6	Very high	96.4	Very high	67 Å²	67	26.3 Å²	26.3	29%	0.291	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.6	165.3	-65.6	-169.7	176	-167.1	0	109.7	I151 S152 F154 F159 T189 D212	I151-K187 CarbonylContact C-O 3.57Å; I151-K187 WeakPolarHBondContact CA-O 3.35Å; I151-K187 WeakPolarHBondContact CG1-O 3.08Å; S152-K187 PolarHBondContact N-O 2.86Å; S152-K187 PolarHBondContact O-N 2.83Å; F154-K187 HydrophobicContact CE2-CB 4.29Å; F154-K187 HydrophobicContact CE2-CD 4.12Å; F154-K187 HydrophobicContact CE2-CG 3.85Å; F154-K187 HydrophobicContact CZ-CD 4.34Å; F159-K187 HydrophobicContact CD1-CD 4.2Å; F159-K187 HydrophobicContact CD1-CG 3.72Å; F159-K187 VanDerWaalsContact CD2-CE 3.44Å; F159-K187 HydrophobicContact CE1-CD 4.23Å; F159-K187 HydrophobicContact CE1-CG 3.49Å; F159-K187 VanDerWaalsContact CE1-CG 3.49Å; F159-K187 HydrophobicContact CG-CD 4.49Å; F159-K187 VanDerWaalsContact CG-CE 3.41Å; F159-K187 HydrophobicContact CG-CG 4.47Å; F159-K187 HydrophobicContact CZ-CG 4.06Å; K187-T189 PolarHBondContact O-N 2.95Å; K187-D212 WeakPolarHBondContact CG-OD1 3.45Å
188	V	97.6	Very high	96.7	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	97.6	173.7	-171.5	0	0	0	0	107.2	I151 V186 S190 G191 L208 E209 G211 F213	I151-V188 HydrophobicContact CD1-CG2 3.85Å; I151-V188 HydrophobicContact CG1-CG2 4.04Å; V186-V188 HydrophobicContact CG1-CG2 3.83Å; V188-S190 VanDerWaalsContact C-N 3.35Å; V188-G191 VanDerWaalsContact CG1-O 3.28Å; V188-G191 WeakPolarHBondContact CG1-O 3.35Å; V188-L208 HydrophobicContact CG2-CB 3.98Å; V188-E209 WeakPolarHBondContact CB-O 2.84Å; V188-E209 WeakPolarHBondContact CG2-O 3.43Å; V188-G211 PolarHBondContact N-O 3.13Å; V188-G211 PolarHBondContact O-N 2.77Å; V188-F213 HydrophobicContact CG2-CD2 4.33Å; V188-F213 HydrophobicContact CG2-CE2 3.89Å
189	T	95.9	Very high	97.1	Very high	88 Å²	88	26 Å²	26	54%	0.54	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-42.2	179	-56.2	0	0	0	0	110.3	K150 K187	K150-T189 HydrophobicContact CD-CG2 4.25Å; K150-T189 PolarHBondContact O-N 2.87Å; K187-T189 PolarHBondContact O-N 2.95Å
190	S	93.7	Very high	97.1	Very high	26 Å²	26	27.5 Å²	27.5	18%	0.182	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	158.3	-178.4	58.6	0	0	0	0	112.2	E148 K150 V188 W193	E148-S190 CarbonylContact O-C 3.51Å; E148-S190 WeakPolarHBondContact O-CB 3.41Å; E148-S190 PolarHBondContact O-OG 3.47Å; K150-S190 PolarHBondContact N-O 2.82Å; K150-S190 PolarHBondContact N-OG 3.19Å; K150-S190 PolarHBondContact O-N 2.9Å; K150-S190 VanDerWaalsContact O-N 3.15Å; V188-S190 VanDerWaalsContact C-N 3.35Å; S190-W193 PolarHBondContact O-NE1 2.79Å; S190-W193 VanDerWaalsContact O-NE1 3.15Å
191	G	92.6	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	76.1	169.3	-175.7	0	0	0	0	0	113.2	V188 P210	V188-G191 VanDerWaalsContact CG1-O 3.28Å; V188-G191 WeakPolarHBondContact CG1-O 3.35Å; G191-P210 WeakPolarHBondContact O-CD 3.42Å; G191-P210 WeakPolarHBondContact O-CG 3.48Å
192	T	95.1	Very high	97.4	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	16%	0.164	C	C	.	.			trans	-108.1	136.4	176.6	-61.4	0	0	0	0	109.8	I142 L207 E209 L232	I142-T192 HydrophobicContact CG2-CG2 4.02Å; T192-L207 HydrophobicContact CG2-CD1 3.55Å; T192-E209 HydrophobicContact CG2-CG 4.23Å; T192-L232 HydrophobicContact CG2-CB 4.04Å; T192-L232 HydrophobicContact CG2-CD2 3.92Å; T192-L232 PolarHBondContact O-N 2.85Å
193	W	96.8	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157	-174	-58.8	79.7	0	0	0	111.7	H149 I151 I166 D169 S190 L208 L229 R230 R231	H149-W193 VanDerWaalsContact C-CZ2 3.49Å; H149-W193 HydrophobicContact CB-CH2 4.11Å; H149-W193 HydrophobicContact CB-CZ2 3.52Å; I151-W193 HydrophobicContact CB-CD2 4.21Å; I151-W193 HydrophobicContact CB-CG 4.5Å; I151-W193 HydrophobicContact CB-CZ2 3.9Å; I151-W193 HydrophobicContact CD1-CB 4.17Å; I151-W193 HydrophobicContact CD1-CD2 4.29Å; I151-W193 HydrophobicContact CD1-CG 3.95Å; I151-W193 HydrophobicContact CG2-CD2 3.83Å; I151-W193 HydrophobicContact CG2-CE3 4.02Å; I151-W193 HydrophobicContact CG2-CH2 3.65Å; I151-W193 HydrophobicContact CG2-CZ2 3.42Å; I151-W193 VanDerWaalsContact CG2-CZ2 3.42Å; I151-W193 HydrophobicContact CG2-CZ3 3.95Å; I166-W193 HydrophobicContact CB-CH2 4.34Å; I166-W193 HydrophobicContact CG2-CH2 3.84Å; I166-W193 HydrophobicContact CG2-CZ3 4.03Å; D169-W193 WeakPolarHBondContact O-CZ3 3.4Å; S190-W193 PolarHBondContact O-NE1 2.79Å; S190-W193 VanDerWaalsContact O-NE1 3.15Å; W193-L208 HydrophobicContact CB-CB 4.05Å; W193-L208 PolarHBondContact N-O 3.44Å; W193-L208 PolarHBondContact O-N 3.43Å; W193-L229 HydrophobicContact CB-CD1 4.08Å; W193-L229 HydrophobicContact CD2-CD2 4.31Å; W193-L229 HydrophobicContact CE3-CD1 4.44Å; W193-L229 HydrophobicContact CE3-CD2 3.65Å; W193-L229 HydrophobicContact CE3-CG 3.76Å; W193-L229 HydrophobicContact CZ3-CD2 3.92Å; W193-L229 HydrophobicContact CZ3-CG 4.31Å; W193-R230 CarbonylContact C-O 3.42Å; W193-R230 WeakPolarHBondContact CA-O 3.43Å; W193-R231 HydrophobicContact CD2-CG 4.2Å; W193-R231 HydrophobicContact CE3-CB 4.45Å; W193-R231 HydrophobicContact CE3-CG 3.67Å; W193-R231 HydrophobicContact CH2-CG 3.65Å; W193-R231 HydrophobicContact CZ2-CG 4.17Å; W193-R231 HydrophobicContact CZ3-CG 3.37Å
194	V	98.1	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.3	171.6	-168.5	0	0	0	0	108.7	I115 Y196 Q205 Y206 L229 R230 L232	I115-V194 HydrophobicContact CB-CG2 4.48Å; I115-V194 HydrophobicContact CG1-CB 4.47Å; I115-V194 HydrophobicContact CG1-CG1 3.73Å; I115-V194 HydrophobicContact CG1-CG2 3.85Å; I115-V194 HydrophobicContact CG2-CG2 4.25Å; V194-Y196 HydrophobicContact CB-CE2 3.79Å; V194-Y196 HydrophobicContact CG1-CD2 4.24Å; V194-Y196 HydrophobicContact CG1-CE1 4.31Å; V194-Y196 HydrophobicContact CG1-CE2 3.52Å; V194-Y196 WeakPolarHBondContact O-CD2 3.43Å; V194-Y196 WeakPolarHBondContact O-CE2 3.32Å; V194-Q205 HydrophobicContact CG1-CB 4.13Å; V194-Y206 WeakPolarHBondContact CA-O 3.44Å; V194-L229 WeakPolarHBondContact O-CA 3.26Å; V194-R230 HydrophobicContact CB-CG 4.19Å; V194-R230 PolarHBondContact N-O 2.82Å; V194-R230 PolarHBondContact O-N 3.46Å; V194-L232 HydrophobicContact CG2-CB 4.22Å; V194-L232 HydrophobicContact CG2-CD1 4.26Å
195	G	98.4	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	146.7	172.5	0	0	0	0	0	111.2	Q205 Y206	G195-Q205 CarbonylContact O-C 3.58Å; G195-Q205 WeakPolarHBondContact O-CA 3.14Å; G195-Y206 PolarHBondContact N-O 2.92Å; G195-Y206 PolarHBondContact O-N 3.02Å
196	Y	98.7	Very high	97.3	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.2	-178	-67.4	-94.1	0	0	0	111.7	V194 Y198 Y201 Y204 Q205 M226 Q227 S228 R230	V194-Y196 HydrophobicContact CB-CE2 3.79Å; V194-Y196 HydrophobicContact CG1-CD2 4.24Å; V194-Y196 HydrophobicContact CG1-CE1 4.31Å; V194-Y196 HydrophobicContact CG1-CE2 3.52Å; V194-Y196 WeakPolarHBondContact O-CD2 3.43Å; V194-Y196 WeakPolarHBondContact O-CE2 3.32Å; Y196-Y198 VanDerWaalsContact C-N 3.31Å; Y196-Y198 PolarHBondContact O-N 3.27Å; Y196-Y201 WeakPolarHBondContact CD1-O 3.26Å; Y196-Y201 AromaticContact CD2-CD1 3.86Å; Y196-Y201 HydrophobicContact CD2-CD1 3.86Å; Y196-Y201 HydrophobicContact CD2-CG 4.38Å; Y196-Y201 WeakPolarHBondContact CE1-O 3.45Å; Y196-Y201 AromaticContact CE2-CD1 3.94Å; Y196-Y201 HydrophobicContact CE2-CD1 3.94Å; Y196-Y201 HydrophobicContact CE2-CG 4.24Å; Y196-Y204 WeakPolarHBondContact CA-O 3.28Å; Y196-Q205 HydrophobicContact CD1-CG 3.97Å; Y196-Q205 HydrophobicContact CE1-CB 4.31Å; Y196-Q205 HydrophobicContact CE1-CG 3.59Å; Y196-M226 CarbonylContact O-C 3.59Å; Y196-M226 WeakPolarHBondContact O-CA 3.49Å; Y196-M226 WeakPolarHBondContact O-CG 3.28Å; Y196-Q227 PolarHBondContact O-N 2.87Å; Y196-S228 WeakPolarHBondContact CB-OG 3.33Å; Y196-S228 PolarHBondContact N-O 2.95Å; Y196-S228 PolarHBondContact O-N 2.8Å; Y196-R230 HydrophobicContact CE2-CG 4Å; Y196-R230 PolarHBondContact OH-NE 3.03Å
197	Q	98.4	Very high	97.3	Very high	22 Å²	22	34.5 Å²	34.5	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-38.2	-180	-173.8	-178.3	17.4	0	0	113.4	R202 Y204 Q225 Q227	Q197-R202 PolarHBondContact N-O 2.96Å; Q197-Y204 PolarHBondContact N-O 2.81Å; Q197-Y204 VanDerWaalsContact N-O 3.1Å; Q197-Y204 VanDerWaalsContact OE1-CD2 3.22Å; Q197-Q225 HydrophobicContact CG-CB 4.41Å; Q197-Q225 HydrophobicContact CG-CG 4.12Å; Q197-Q227 WeakPolarHBondContact O-CG 3.41Å; Q197-Q227 PolarHBondContact O-NE2 3.15Å
198	Y	98.3	Very high	97.3	Very high	101 Å²	101	31.3 Å²	31.3	40%	0.396	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	162.3	-175.2	-59	-55.5	0	0	0	112.7	Y196 R202 S228	Y196-Y198 VanDerWaalsContact C-N 3.31Å; Y196-Y198 PolarHBondContact O-N 3.27Å; Y198-R202 PolarHBondContact N-O 2.84Å; Y198-S228 PolarHBondContact O-OG 2.66Å
199	P	97.9	Very high	97.2	Very high	36 Å²	36	33.8 Å²	33.8	23%	0.234	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	150.1	173.6	-20.8	32.9	0	0	0	112.7	P172 R202 Q227	P172-P199 CarbonylContact O-C 3.57Å; P172-P199 WeakPolarHBondContact O-CA 3.27Å; P199-R202 PolarHBondContact O-NE 2.91Å; P199-R202 PolarHBondContact O-NH2 2.87Å; P199-Q227 HydrophobicContact CG-CB 3.95Å
200	G	97	Very high	97.2	Very high	39 Å²	39	32.8 Å²	32.8	40%	0.402	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	35	179.9	0	0	0	0	0	113.3	P172	P172-G200 PolarHBondContact O-N 3.17Å
201	Y	97.4	Very high	97.3	Very high	75 Å²	75	33 Å²	33	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	45.6	173	-39.8	-53.9	0	0	0	114	P172 Y196 S228 R230	P172-Y201 HydrophobicContact CB-CE1 4.35Å; P172-Y201 HydrophobicContact CB-CE2 4.34Å; Y196-Y201 WeakPolarHBondContact CD1-O 3.26Å; Y196-Y201 AromaticContact CD2-CD1 3.86Å; Y196-Y201 HydrophobicContact CD2-CD1 3.86Å; Y196-Y201 HydrophobicContact CD2-CG 4.38Å; Y196-Y201 WeakPolarHBondContact CE1-O 3.45Å; Y196-Y201 AromaticContact CE2-CD1 3.94Å; Y196-Y201 HydrophobicContact CE2-CD1 3.94Å; Y196-Y201 HydrophobicContact CE2-CG 4.24Å; Y201-S228 WeakPolarHBondContact CA-OG 3.36Å; Y201-S228 PolarHBondContact N-OG 3.39Å; Y201-R230 HydrophobicContact CD1-CB 4.17Å; Y201-R230 HydrophobicContact CE1-CB 3.75Å
202	R	97.6	Very high	97.6	Very high	149 Å²	149	37.2 Å²	37.2	56%	0.562	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	161.4	-176.1	-72.6	179.6	-69.1	154.7	-2.6	112.7	Q197 Y198 P199	Q197-R202 PolarHBondContact N-O 2.96Å; Y198-R202 PolarHBondContact N-O 2.84Å; P199-R202 PolarHBondContact O-NE 2.91Å; P199-R202 PolarHBondContact O-NH2 2.87Å
203	G	97.9	Very high	97.8	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-154.4	-179.3	0	0	0	0	0	112.2	S129	S129-G203 CarbonylContact C-O 3.57Å; S129-G203 WeakPolarHBondContact CB-O 3.29Å; S129-G203 WeakPolarHBondContact O-CA 3.45Å; S129-G203 PolarHBondContact O-N 2.9Å; S129-G203 PolarHBondContact OG-O 2.84Å
204	Y	98.3	Very high	97.9	Very high	65 Å²	65	45.3 Å²	45.3	26%	0.255	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	142.9	176	-68.1	-62	0	0	0	112.1	E112 R132 Y196 Q197 Y206	E112-Y204 HydrophobicContact CB-CE1 4.48Å; E112-Y204 HydrophobicContact CG-CD1 3.89Å; E112-Y204 HydrophobicContact CG-CE1 4.19Å; E112-Y204 WeakPolarHBondContact OE1-CD1 3.37Å; R132-Y204 HydrophobicContact CB-CE1 4.21Å; R132-Y204 HydrophobicContact CG-CE1 3.95Å; R132-Y204 WeakPolarHBondContact CG-OH 3.5Å; R132-Y204 PolarHBondContact NE-OH 3.27Å; Y196-Y204 WeakPolarHBondContact CA-O 3.28Å; Q197-Y204 PolarHBondContact N-O 2.81Å; Q197-Y204 VanDerWaalsContact N-O 3.1Å; Q197-Y204 VanDerWaalsContact OE1-CD2 3.22Å; Y204-Y206 WeakPolarHBondContact CB-OH 3.36Å
205	Q	98.4	Very high	97.9	Very high	10 Å²	10	48 Å²	48	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.4	176.6	-46.4	-178.7	27.3	0	0	109.9	W127 S129 V194 G195 Y196	W127-Q205 PolarHBondContact O-NE2 3.06Å; S129-Q205 WeakPolarHBondContact OG-CG 3.32Å; S129-Q205 PolarHBondContact OG-NE2 3.29Å; V194-Q205 HydrophobicContact CG1-CB 4.13Å; G195-Q205 CarbonylContact O-C 3.58Å; G195-Q205 WeakPolarHBondContact O-CA 3.14Å; Y196-Q205 HydrophobicContact CD1-CG 3.97Å; Y196-Q205 HydrophobicContact CE1-CB 4.31Å; Y196-Q205 HydrophobicContact CE1-CG 3.59Å
206	Y	98.4	Very high	97.9	Very high	12 Å²	12	50.2 Å²	50.2	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120	178.9	-50.1	-65.4	0	0	0	109.9	V194 G195 Y204 W219 A221 M226	V194-Y206 WeakPolarHBondContact CA-O 3.44Å; G195-Y206 PolarHBondContact N-O 2.92Å; G195-Y206 PolarHBondContact O-N 3.02Å; Y204-Y206 WeakPolarHBondContact CB-OH 3.36Å; Y206-W219 AromaticContact CD1-CD1 3.79Å; Y206-W219 AromaticContact CG-CD1 3.61Å; Y206-A221 HydrophobicContact CD1-CB 4.04Å; Y206-A221 VanDerWaalsContact CE1-CA 3.48Å; Y206-A221 HydrophobicContact CE1-CB 3.5Å; Y206-A221 VanDerWaalsContact CE1-CB 3.5Å; Y206-A221 HydrophobicContact CE2-CB 4.24Å; Y206-M226 HydrophobicContact CD2-CE 4.11Å
207	L	98.2	Very high	97.9	Very high	14 Å²	14	54.6 Å²	54.6	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.9	174	-177.3	63.3	0	0	0	109.8	V102 M113 I115 I142 T192 E209 L232	V102-L207 HydrophobicContact CB-CD2 4.09Å; V102-L207 HydrophobicContact CG1-CD2 3.86Å; V102-L207 HydrophobicContact CG2-CD2 4.4Å; M113-L207 HydrophobicContact SD-CB 4.03Å; I115-L207 HydrophobicContact CD1-CB 4.14Å; I115-L207 HydrophobicContact CD1-CD1 4.14Å; I142-L207 HydrophobicContact CD1-CD1 4.08Å; I142-L207 HydrophobicContact CD1-CD2 4.25Å; I142-L207 HydrophobicContact CG1-CD2 4.08Å; I142-L207 HydrophobicContact CG2-CD1 4.28Å; I142-L207 HydrophobicContact CG2-CD2 4.44Å; T192-L207 HydrophobicContact CG2-CD1 3.55Å; L207-E209 HydrophobicContact CD1-CG 4.47Å; L207-E209 HydrophobicContact CD2-CG 4.18Å; L207-E209 HydrophobicContact CG-CG 4.11Å; L207-L232 HydrophobicContact CD1-CD2 4.42Å
208	L	97.8	Very high	97.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	89.6	-179	-65.7	169.5	0	0	0	108.5	I151 V186 V188 W193 F213 W219 M226 L229	I151-L208 HydrophobicContact CD1-CD1 4.06Å; V186-L208 HydrophobicContact CG1-CD1 4.47Å; V186-L208 HydrophobicContact CG1-CD2 4.42Å; V188-L208 HydrophobicContact CG2-CB 3.98Å; W193-L208 HydrophobicContact CB-CB 4.05Å; W193-L208 PolarHBondContact N-O 3.44Å; W193-L208 PolarHBondContact O-N 3.43Å; L208-F213 HydrophobicContact CD2-CD2 4.42Å; L208-F213 HydrophobicContact CD2-CE2 4.33Å; L208-F213 HydrophobicContact CD2-CZ 4.5Å; L208-W219 HydrophobicContact CD2-CB 3.58Å; L208-W219 HydrophobicContact CD2-CD2 4.23Å; L208-W219 HydrophobicContact CD2-CE3 4.47Å; L208-W219 HydrophobicContact CD2-CG 3.9Å; L208-M226 HydrophobicContact CD1-CE 4.16Å; L208-L229 HydrophobicContact CD1-CD1 3.9Å
209	E	95.9	Very high	97.8	Very high	56 Å²	56	53.8 Å²	53.8	26%	0.262	27%	0.266	S	S	.	.			trans	-80.2	161.3	172.8	-72.4	170.8	147.6	0	0	110.5	R140 V188 T192 L207 G211 F213	R140-E209 IonicContact CZ-OE1 3.73Å; R140-E209 IonicContact CZ-OE2 3.04Å; R140-E209 IonicContact NH1-OE1 3.61Å; R140-E209 PolarHBondContact NH1-OE1 3.37Å; R140-E209 IonicContact NH1-OE2 3.5Å; R140-E209 VanDerWaalsContact NH2-CD 3.3Å; R140-E209 IonicContact NH2-OE1 2.85Å; R140-E209 PolarHBondContact NH2-OE1 2.88Å; R140-E209 IonicContact NH2-OE2 3.47Å; R140-E209 PolarHBondContact NH2-OE2 2.92Å; V188-E209 WeakPolarHBondContact CB-O 2.84Å; V188-E209 WeakPolarHBondContact CG2-O 3.43Å; T192-E209 HydrophobicContact CG2-CG 4.23Å; L207-E209 HydrophobicContact CD1-CG 4.47Å; L207-E209 HydrophobicContact CD2-CG 4.18Å; L207-E209 HydrophobicContact CG-CG 4.11Å; E209-G211 PolarHBondContact O-N 2.84Å; E209-F213 WeakPolarHBondContact O-CE2 3.48Å
210	P	95.9	Very high	97.8	Very high	68 Å²	68	54.4 Å²	54.4	44%	0.442	28%	0.278	S	S	.	.	S	Bend	trans	-49.5	126.1	178.2	-30.2	36.7	0	0	0	113.4	G191	G191-P210 WeakPolarHBondContact O-CD 3.42Å; G191-P210 WeakPolarHBondContact O-CG 3.48Å
211	G	96.9	Very high	97.8	Very high	30 Å²	30	52.7 Å²	52.7	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	171.8	-173.8	0	0	0	0	0	114.8	V188 E209	V188-G211 PolarHBondContact N-O 3.13Å; V188-G211 PolarHBondContact O-N 2.77Å; E209-G211 PolarHBondContact O-N 2.84Å
212	D	98.5	Very high	97.7	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.4	180	-88.2	4.8	0	0	0	109.6	F159 K187	F159-D212 HydrophobicContact CZ-CB 3.93Å; K187-D212 WeakPolarHBondContact CG-OD1 3.45Å
213	F	98.6	Very high	97.7	Very high	34 Å²	34	55.6 Å²	55.6	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.1	178.4	-57.1	-96.3	0	0	0	110.2	S185 V186 V188 L208 E209 H215 E218 W219	S185-F213 CarbonylContact C-O 3.52Å; S185-F213 WeakPolarHBondContact CA-O 3.38Å; S185-F213 WeakPolarHBondContact CB-O 3.3Å; V186-F213 HydrophobicContact CB-CB 4.28Å; V186-F213 HydrophobicContact CB-CD2 4.34Å; V186-F213 HydrophobicContact CG1-CD2 4.41Å; V186-F213 PolarHBondContact N-O 3.08Å; V186-F213 PolarHBondContact O-N 2.96Å; V188-F213 HydrophobicContact CG2-CD2 4.33Å; V188-F213 HydrophobicContact CG2-CE2 3.89Å; L208-F213 HydrophobicContact CD2-CD2 4.42Å; L208-F213 HydrophobicContact CD2-CE2 4.33Å; L208-F213 HydrophobicContact CD2-CZ 4.5Å; E209-F213 WeakPolarHBondContact O-CE2 3.48Å; F213-H215 VanDerWaalsContact C-N 3.33Å; F213-H215 PolarHBondContact O-N 3.22Å; F213-E218 VanDerWaalsContact CA-OE2 3.25Å; F213-E218 WeakPolarHBondContact CA-OE2 3.06Å; F213-E218 HydrophobicContact CB-CB 4.34Å; F213-E218 HydrophobicContact CD1-CB 3.84Å; F213-W219 HydrophobicContact CB-CE3 3.6Å; F213-W219 HydrophobicContact CB-CZ3 3.84Å; F213-W219 HydrophobicContact CD1-CB 4.2Å; F213-W219 HydrophobicContact CD1-CE3 4.33Å; F213-W219 HydrophobicContact CE1-CB 4.37Å; F213-W219 HydrophobicContact CG-CE3 4.11Å
214	R	98.6	Very high	97.7	Very high	139 Å²	139	56.6 Å²	56.6	53%	0.525	29%	0.287	S	S	.	.			trans	-80.5	-17.3	-172.5	-64.1	-178.4	-178.2	-158	1.5	113.2	A157 N158 F159 S185 E218	A157-R214 CarbonylContact C-O 3.54Å; A157-R214 WeakPolarHBondContact CA-O 3.38Å; A157-R214 WeakPolarHBondContact CB-O 3.28Å; N158-R214 PolarHBondContact N-O 3.05Å; F159-R214 HydrophobicContact CE1-CG 4.41Å; F159-R214 HydrophobicContact CE2-CG 3.76Å; F159-R214 HydrophobicContact CZ-CB 4.45Å; F159-R214 HydrophobicContact CZ-CG 3.55Å; S185-R214 WeakPolarHBondContact CB-O 3.39Å; R214-E218 WeakPolarHBondContact CB-OE1 3.41Å; R214-E218 PolarHBondContact N-OE1 3.47Å; R214-E218 PolarHBondContact N-OE2 3.48Å
215	H	98.7	Very high	97.8	Very high	57 Å²	57	55.4 Å²	55.4	26%	0.264	28%	0.284	S	S	.	.	S	Bend	trans	-147.6	149.1	-178.9	-167.4	-87.7	0	0	0	110.9	F213 N217 E218	F213-H215 VanDerWaalsContact C-N 3.33Å; F213-H215 PolarHBondContact O-N 3.22Å; H215-N217 PolarHBondContact CE1-ND2 2.78Å; H215-N217 VanDerWaalsContact ND1-CG 3.32Å; H215-N217 PolarHBondContact ND1-N 3.38Å; H215-N217 PolarHBondContact ND1-ND2 3.21Å; H215-N217 PolarHBondContact O-N 3.3Å; H215-N217 VanDerWaalsContact O-N 3.12Å; H215-E218 PolarHBondContact N-OE1 2.79Å; H215-E218 VanDerWaalsContact O-CB 3.3Å; H215-E218 WeakPolarHBondContact O-CB 3.38Å; H215-E218 PolarHBondContact O-N 3.15Å
216	W	98.5	Very high	97.8	Very high	45 Å²	45	55 Å²	55	17%	0.17	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.4	-175.8	60.1	85	0	0	0	115.7	A157 G184 E218 W219 A221 P224	A157-W216 HydrophobicContact CB-CZ3 4.42Å; G184-W216 PolarHBondContact O-N 3.46Å; W216-E218 PolarHBondContact O-N 2.81Å; W216-W219 VanDerWaalsContact CA-CE2 3.49Å; W216-W219 VanDerWaalsContact CA-CZ3 3.49Å; W216-W219 HydrophobicContact CB-CD2 4.44Å; W216-W219 HydrophobicContact CB-CH2 3.56Å; W216-W219 HydrophobicContact CB-CZ2 3.22Å; W216-W219 HydrophobicContact CB-CZ3 4.28Å; W216-W219 PolarHBondContact O-N 3.27Å; W216-A221 HydrophobicContact CB-CB 4.32Å; W216-A221 PolarHBondContact O-N 3.06Å; W216-P224 HydrophobicContact CB-CB 4.28Å; W216-P224 HydrophobicContact CD2-CB 3.66Å; W216-P224 HydrophobicContact CD2-CG 4.13Å; W216-P224 HydrophobicContact CE3-CB 3.65Å; W216-P224 HydrophobicContact CE3-CG 4.19Å; W216-P224 HydrophobicContact CG-CB 3.96Å; W216-P224 HydrophobicContact CH2-CG 4.41Å; W216-P224 HydrophobicContact CZ2-CG 4.36Å; W216-P224 HydrophobicContact CZ3-CB 4.19Å; W216-P224 HydrophobicContact CZ3-CG 4.33Å
217	N	98.1	Very high	97.8	Very high	102 Å²	102	55.4 Å²	55.4	55%	0.545	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.7	-27	172.3	-64.4	-4.6	0	0	0	112.7	H215 W219 G220	H215-N217 PolarHBondContact CE1-ND2 2.78Å; H215-N217 VanDerWaalsContact ND1-CG 3.32Å; H215-N217 PolarHBondContact ND1-N 3.38Å; H215-N217 PolarHBondContact ND1-ND2 3.21Å; H215-N217 PolarHBondContact O-N 3.3Å; H215-N217 VanDerWaalsContact O-N 3.12Å; N217-W219 VanDerWaalsContact C-N 3.28Å; N217-W219 PolarHBondContact O-N 2.94Å; N217-G220 PolarHBondContact O-N 2.83Å; N217-G220 VanDerWaalsContact O-N 3.13Å
218	E	98.3	Very high	97.8	Very high	100 Å²	100	54.8 Å²	54.8	47%	0.467	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.3	-22.7	-176.4	-64.2	173	-148	0	0	112.6	F213 R214 H215 W216	F213-E218 VanDerWaalsContact CA-OE2 3.25Å; F213-E218 WeakPolarHBondContact CA-OE2 3.06Å; F213-E218 HydrophobicContact CB-CB 4.34Å; F213-E218 HydrophobicContact CD1-CB 3.84Å; R214-E218 WeakPolarHBondContact CB-OE1 3.41Å; R214-E218 PolarHBondContact N-OE1 3.47Å; R214-E218 PolarHBondContact N-OE2 3.48Å; H215-E218 PolarHBondContact N-OE1 2.79Å; H215-E218 VanDerWaalsContact O-CB 3.3Å; H215-E218 WeakPolarHBondContact O-CB 3.38Å; H215-E218 PolarHBondContact O-N 3.15Å; W216-E218 PolarHBondContact O-N 2.81Å
219	W	97.8	Very high	97.8	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.027	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-103	13.4	170.6	65	79.5	0	0	0	113.4	M113 V183 V186 Y206 L208 F213 W216 N217 M226	M113-W219 WeakPolarHBondContact CE-O 3.47Å; V183-W219 HydrophobicContact CG1-CH2 4.07Å; V183-W219 HydrophobicContact CG1-CZ2 4.17Å; V183-W219 WeakPolarHBondContact O-CZ2 3.45Å; V186-W219 HydrophobicContact CB-CZ3 4.17Å; V186-W219 HydrophobicContact CG2-CE3 4.25Å; V186-W219 HydrophobicContact CG2-CH2 3.85Å; V186-W219 HydrophobicContact CG2-CZ2 4.45Å; V186-W219 HydrophobicContact CG2-CZ3 3.75Å; Y206-W219 AromaticContact CD1-CD1 3.79Å; Y206-W219 AromaticContact CG-CD1 3.61Å; L208-W219 HydrophobicContact CD2-CB 3.58Å; L208-W219 HydrophobicContact CD2-CD2 4.23Å; L208-W219 HydrophobicContact CD2-CE3 4.47Å; L208-W219 HydrophobicContact CD2-CG 3.9Å; F213-W219 HydrophobicContact CB-CE3 3.6Å; F213-W219 HydrophobicContact CB-CZ3 3.84Å; F213-W219 HydrophobicContact CD1-CB 4.2Å; F213-W219 HydrophobicContact CD1-CE3 4.33Å; F213-W219 HydrophobicContact CE1-CB 4.37Å; F213-W219 HydrophobicContact CG-CE3 4.11Å; W216-W219 VanDerWaalsContact CA-CE2 3.49Å; W216-W219 VanDerWaalsContact CA-CZ3 3.49Å; W216-W219 HydrophobicContact CB-CD2 4.44Å; W216-W219 HydrophobicContact CB-CH2 3.56Å; W216-W219 HydrophobicContact CB-CZ2 3.22Å; W216-W219 HydrophobicContact CB-CZ3 4.28Å; W216-W219 PolarHBondContact O-N 3.27Å; N217-W219 VanDerWaalsContact C-N 3.28Å; N217-W219 PolarHBondContact O-N 2.94Å; W219-M226 HydrophobicContact CZ2-CE 4.37Å
220	G	96.4	Very high	97.8	Very high	48 Å²	48	53.8 Å²	53.8	50%	0.495	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	12.7	174.9	0	0	0	0	0	115.6	N217	N217-G220 PolarHBondContact O-N 2.83Å; N217-G220 VanDerWaalsContact O-N 3.13Å
221	A	97.6	Very high	97.8	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	26%	0.257	C	S	.	.			trans	-78.6	141	173.9	0	0	0	0	0	112.2	Y206 W216 Q223	Y206-A221 HydrophobicContact CD1-CB 4.04Å; Y206-A221 VanDerWaalsContact CE1-CA 3.48Å; Y206-A221 HydrophobicContact CE1-CB 3.5Å; Y206-A221 VanDerWaalsContact CE1-CB 3.5Å; Y206-A221 HydrophobicContact CE2-CB 4.24Å; W216-A221 HydrophobicContact CB-CB 4.32Å; W216-A221 PolarHBondContact O-N 3.06Å; A221-Q223 WeakPolarHBondContact CB-O 3.46Å
222	F	96	Very high	97.5	Very high	180 Å²	180	50 Å²	50	79%	0.789	24%	0.242	S	C	*	.	S	Bend	trans	-79.5	-33.7	174.2	-178.9	-109.6	0	0	0	112.5
223	Q	97.6	Very high	96.8	Very high	105 Å²	105	50 Å²	50	49%	0.491	24%	0.235	S	C	.	.	S	Bend	trans	-130.7	153.5	177	-73.1	176.6	-5.8	0	0	109	A221 Q225	A221-Q223 WeakPolarHBondContact CB-O 3.46Å; Q223-Q225 PolarHBondContact O-N 3.04Å
224	P	98.1	Very high	95.2	Very high	24 Å²	24	49.4 Å²	49.4	16%	0.156	23%	0.234	C	C	.	.	S	Bend	trans	-74	38.1	179.1	32.2	-35.8	0	0	0	112.5	R182 V183 W216	R182-P224 CarbonylContact C-O 3.55Å; R182-P224 VanDerWaalsContact CA-O 3.26Å; R182-P224 WeakPolarHBondContact CA-O 3.39Å; R182-P224 HydrophobicContact CG-CB 4.26Å; R182-P224 HydrophobicContact CG-CG 4.22Å; V183-P224 PolarHBondContact N-O 3.15Å; V183-P224 WeakPolarHBondContact O-CA 3.48Å; V183-P224 WeakPolarHBondContact O-CB 3.39Å; W216-P224 HydrophobicContact CB-CB 4.28Å; W216-P224 HydrophobicContact CD2-CB 3.66Å; W216-P224 HydrophobicContact CD2-CG 4.13Å; W216-P224 HydrophobicContact CE3-CB 3.65Å; W216-P224 HydrophobicContact CE3-CG 4.19Å; W216-P224 HydrophobicContact CG-CB 3.96Å; W216-P224 HydrophobicContact CH2-CG 4.41Å; W216-P224 HydrophobicContact CZ2-CG 4.36Å; W216-P224 HydrophobicContact CZ3-CB 4.19Å; W216-P224 HydrophobicContact CZ3-CG 4.33Å
225	Q	98.4	Very high	93	Very high	40 Å²	40	51.2 Å²	51.2	19%	0.187	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-97.2	118.1	-177.8	-168.2	178.2	35.1	0	0	110.8	D181 Q197 Q223	D181-Q225 HydrophobicContact CB-CG 4.44Å; D181-Q225 CarbonylContact O-C 3.57Å; D181-Q225 VanDerWaalsContact O-CA 3.26Å; D181-Q225 WeakPolarHBondContact O-CA 3.37Å; D181-Q225 PolarHBondContact OD2-NE2 3.24Å; Q197-Q225 HydrophobicContact CG-CB 4.41Å; Q197-Q225 HydrophobicContact CG-CG 4.12Å; Q223-Q225 PolarHBondContact O-N 3.04Å
226	M	98.6	Very high	90.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	26%	0.264	C	S	.	.			trans	-151.1	132.4	175.1	-173.7	-173.5	-58.6	0	0	108.9	L174 D181 V183 Y196 Y206 L208 W219 L229	L174-M226 HydrophobicContact CD1-CG 4.48Å; L174-M226 WeakPolarHBondContact CD1-O 3.48Å; D181-M226 CarbonylContact C-O 3.58Å; D181-M226 PolarHBondContact O-N 2.9Å; V183-M226 HydrophobicContact CB-CB 4.06Å; V183-M226 HydrophobicContact CG1-CE 4.49Å; V183-M226 HydrophobicContact CG2-CB 3.77Å; V183-M226 HydrophobicContact CG2-CG 4.41Å; V183-M226 HydrophobicContact CG2-SD 4.28Å; Y196-M226 CarbonylContact O-C 3.59Å; Y196-M226 WeakPolarHBondContact O-CA 3.49Å; Y196-M226 WeakPolarHBondContact O-CG 3.28Å; Y206-M226 HydrophobicContact CD2-CE 4.11Å; L208-M226 HydrophobicContact CD1-CE 4.16Å; W219-M226 HydrophobicContact CZ2-CE 4.37Å; M226-L229 HydrophobicContact SD-CD1 4.31Å
227	Q	98.6	Very high	88.3	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.098	28%	0.283	C	S	.	.			trans	-134	-9.9	-172.8	-70.8	-175.5	69.7	0	0	114.1	S173 L174 D181 Y196 Q197 P199	S173-Q227 CarbonylContact C-O 3.55Å; S173-Q227 WeakPolarHBondContact CA-O 3.3Å; L174-Q227 PolarHBondContact N-O 2.96Å; D181-Q227 HydrophobicContact CB-CG 3.36Å; Y196-Q227 PolarHBondContact O-N 2.87Å; Q197-Q227 WeakPolarHBondContact O-CG 3.41Å; Q197-Q227 PolarHBondContact O-NE2 3.15Å; P199-Q227 HydrophobicContact CG-CB 3.95Å
228	S	98.5	Very high	85.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158	167.5	60.9	0	0	0	0	111.1	A171 P172 Y196 Y198 Y201	A171-S228 CarbonylContact O-C 3.57Å; A171-S228 VanDerWaalsContact O-CA 3.26Å; A171-S228 WeakPolarHBondContact O-CA 3.43Å; A171-S228 VanDerWaalsContact O-CB 3.27Å; A171-S228 WeakPolarHBondContact O-CB 3.45Å; P172-S228 VanDerWaalsContact O-CB 3.26Å; P172-S228 WeakPolarHBondContact O-CB 3.43Å; Y196-S228 WeakPolarHBondContact CB-OG 3.33Å; Y196-S228 PolarHBondContact N-O 2.95Å; Y196-S228 PolarHBondContact O-N 2.8Å; Y198-S228 PolarHBondContact O-OG 2.66Å; Y201-S228 WeakPolarHBondContact CA-OG 3.36Å; Y201-S228 PolarHBondContact N-OG 3.39Å
229	L	97.8	Very high	83.1	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	134.3	-173.2	-174.8	77.1	0	0	0	108.3	I151 L153 I166 A171 L174 W193 V194 L208 M226	I151-L229 HydrophobicContact CD1-CD1 4.27Å; I151-L229 HydrophobicContact CD1-CD2 3.97Å; I151-L229 HydrophobicContact CG2-CD2 3.54Å; L153-L229 HydrophobicContact CD1-CD2 4.38Å; I166-L229 HydrophobicContact CD1-CD2 3.81Å; A171-L229 CarbonylContact C-O 3.56Å; A171-L229 WeakPolarHBondContact CA-O 3.4Å; A171-L229 HydrophobicContact CB-CB 4.45Å; A171-L229 PolarHBondContact N-O 3.37Å; A171-L229 PolarHBondContact O-N 3.36Å; L174-L229 HydrophobicContact CD2-CB 4.4Å; W193-L229 HydrophobicContact CB-CD1 4.08Å; W193-L229 HydrophobicContact CD2-CD2 4.31Å; W193-L229 HydrophobicContact CE3-CD1 4.44Å; W193-L229 HydrophobicContact CE3-CD2 3.65Å; W193-L229 HydrophobicContact CE3-CG 3.76Å; W193-L229 HydrophobicContact CZ3-CD2 3.92Å; W193-L229 HydrophobicContact CZ3-CG 4.31Å; V194-L229 WeakPolarHBondContact O-CA 3.26Å; L208-L229 HydrophobicContact CD1-CD1 3.9Å; M226-L229 HydrophobicContact SD-CD1 4.31Å
230	R	96.8	Very high	80.2	Confident	35 Å²	35	66.1 Å²	66.1	13%	0.132	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.2	171.6	75.6	-173.7	-179.3	95.9	-15	110.8	E117 D170 W193 V194 Y196 Y201	E117-R230 VanDerWaalsContact CD-NH2 3.34Å; E117-R230 IonicContact OE1-CZ 3.78Å; E117-R230 IonicContact OE1-NH1 2.82Å; E117-R230 PolarHBondContact OE1-NH1 3.31Å; E117-R230 IonicContact OE1-NH2 2.72Å; E117-R230 PolarHBondContact OE1-NH2 2.63Å; E117-R230 IonicContact OE2-CZ 3.87Å; E117-R230 IonicContact OE2-NH1 3.37Å; E117-R230 IonicContact OE2-NH2 3.41Å; E117-R230 PolarHBondContact OE2-NH2 3.1Å; D170-R230 HydrophobicContact CB-CB 4.29Å; D170-R230 WeakPolarHBondContact OD1-CA 3.42Å; W193-R230 CarbonylContact C-O 3.42Å; W193-R230 WeakPolarHBondContact CA-O 3.43Å; V194-R230 HydrophobicContact CB-CG 4.19Å; V194-R230 PolarHBondContact N-O 2.82Å; V194-R230 PolarHBondContact O-N 3.46Å; Y196-R230 HydrophobicContact CE2-CG 4Å; Y196-R230 PolarHBondContact OH-NE 3.03Å; Y201-R230 HydrophobicContact CD1-CB 4.17Å; Y201-R230 HydrophobicContact CE1-CB 3.75Å
231	R	94.9	Very high	77.5	Confident	19 Å²	19	67.5 Å²	67.5	7%	0.072	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.8	167.7	-60.1	163.6	-64.5	-169.5	-6.3	108.3	H149 G168 D169 D170 W193 R233	H149-R231 HydrophobicContact CB-CG 3.81Å; G168-R231 PolarHBondContact O-NH1 2.96Å; D169-R231 VanDerWaalsContact C-CZ 3.43Å; D169-R231 VanDerWaalsContact CA-CZ 3.41Å; D169-R231 VanDerWaalsContact CA-NH1 3.32Å; D169-R231 VanDerWaalsContact N-NH1 3.19Å; D169-R231 IonicContact OD1-NH2 3.57Å; D170-R231 WeakPolarHBondContact OD1-CB 2.98Å; D170-R231 WeakPolarHBondContact OD1-CG 3.47Å; D170-R231 IonicContact OD1-CZ 3.47Å; D170-R231 PolarHBondContact OD1-N 3Å; D170-R231 IonicContact OD1-NE 3.75Å; D170-R231 PolarHBondContact OD1-NE 3.14Å; D170-R231 IonicContact OD1-NH2 2.79Å; D170-R231 PolarHBondContact OD1-NH2 3.24Å; D170-R231 IonicContact OD2-CZ 2.81Å; D170-R231 IonicContact OD2-NE 3.52Å; D170-R231 IonicContact OD2-NH2 3.6Å; D170-R231 PolarHBondContact OD2-NH2 3.45Å; W193-R231 HydrophobicContact CD2-CG 4.2Å; W193-R231 HydrophobicContact CE3-CB 4.45Å; W193-R231 HydrophobicContact CE3-CG 3.67Å; W193-R231 HydrophobicContact CH2-CG 3.65Å; W193-R231 HydrophobicContact CZ2-CG 4.17Å; W193-R231 HydrophobicContact CZ3-CG 3.37Å; R231-R233 HydrophobicContact CB-CG 4.08Å; R231-R233 VanDerWaalsContact CZ-NH2 3.29Å
232	L	92	Very high	74.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.36	C	S	.	.			trans	-83	116.4	166.5	-170.3	59.9	0	0	0	107.2	P100 I115 E117 I142 M144 T192 V194 L207	P100-L232 HydrophobicContact CB-CD1 4.34Å; P100-L232 HydrophobicContact CB-CD2 4.17Å; P100-L232 HydrophobicContact CB-CG 4.48Å; P100-L232 HydrophobicContact CG-CD1 4.37Å; P100-L232 HydrophobicContact CG-CD2 3.72Å; P100-L232 HydrophobicContact CG-CG 4.01Å; I115-L232 HydrophobicContact CG2-CD1 3.65Å; I115-L232 HydrophobicContact CG2-CD2 4.26Å; E117-L232 HydrophobicContact CG-CD1 4.01Å; I142-L232 HydrophobicContact CB-CD2 4.37Å; I142-L232 HydrophobicContact CD1-CD2 3.57Å; I142-L232 HydrophobicContact CG2-CD2 3.87Å; M144-L232 HydrophobicContact CE-CB 4.46Å; M144-L232 HydrophobicContact CE-CG 4.16Å; M144-L232 WeakPolarHBondContact CE-O 3.09Å; M144-L232 HydrophobicContact SD-CD2 3.99Å; M144-L232 HydrophobicContact SD-CG 4.06Å; T192-L232 HydrophobicContact CG2-CB 4.04Å; T192-L232 HydrophobicContact CG2-CD2 3.92Å; T192-L232 PolarHBondContact O-N 2.85Å; V194-L232 HydrophobicContact CG2-CB 4.22Å; V194-L232 HydrophobicContact CG2-CD1 4.26Å; L207-L232 HydrophobicContact CD1-CD2 4.42Å
233	R	82.1	Confident	71.7	Confident	89 Å²	89	72.7 Å²	72.7	34%	0.336	36%	0.364	S	S	.	.			trans	-128	130.2	-178.1	-69.4	174.8	165.2	-165.7	-16.7	108.8	R231	R231-R233 HydrophobicContact CB-CG 4.08Å; R231-R233 VanDerWaalsContact CZ-NH2 3.29Å
234	D	66.1	Low	69	Low	22 Å²	22	72.9 Å²	72.9	12%	0.118	37%	0.374	C	S	.	.			trans	-94	131.1	167.6	175.2	13.2	0	0	0	108.8	M144 Q236 W237 H238	M144-D234 HydrophobicContact CE-CB 4.25Å; M144-D234 HydrophobicContact CG-CB 4.45Å; D234-Q236 PolarHBondContact O-N 3.09Å; D234-Q236 VanDerWaalsContact O-N 3.08Å; D234-Q236 PolarHBondContact OD1-N 2.71Å; D234-Q236 WeakPolarHBondContact OD2-CB 3.31Å; D234-W237 PolarHBondContact O-N 3.21Å; D234-H238 PolarHBondContact O-N 2.86Å; D234-H238 VanDerWaalsContact O-N 3.13Å
235	K	52.6	Low	66.4	Low	176 Å²	176	78.3 Å²	78.3	77%	0.765	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.4	176.8	-68.3	-173.6	177.3	-177.5	0	112.2	W237	K235-W237 VanDerWaalsContact C-N 3.33Å
236	Q	50.6	Low	63.6	Low	143 Å²	143	83.8 Å²	83.8	67%	0.668	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.5	175.4	-167.8	165.3	-0.1	0	0	113.5	D234	D234-Q236 PolarHBondContact O-N 3.09Å; D234-Q236 VanDerWaalsContact O-N 3.08Å; D234-Q236 PolarHBondContact OD1-N 2.71Å; D234-Q236 WeakPolarHBondContact OD2-CB 3.31Å
237	W	47.5	Very low	60.8	Low	149 Å²	149	88.1 Å²	88.1	56%	0.564	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-17.8	-175.7	-58.6	95.3	0	0	0	113.6	D234 K235	D234-W237 PolarHBondContact O-N 3.21Å; K235-W237 VanDerWaalsContact C-N 3.33Å
238	H	46.7	Very low	58.3	Low	48 Å²	48	93.5 Å²	93.5	22%	0.222	51%	0.507	C	S	.	.			trans	-126.2	90.4	177.8	-62.3	-69.1	0	0	0	111.6	H149 D234	H149-H238 AromaticContact CE1-NE2 4Å; D234-H238 PolarHBondContact O-N 2.86Å; D234-H238 VanDerWaalsContact O-N 3.13Å
239	P	41.4	Very low	55.6	Low	107 Å²	107	102.2 Å²	102.2	70%	0.695	55%	0.548	S	S	*	.			trans	-76.1	-18	176.9	26.8	-31.6	0	0	0	114.4	G241	P239-G241 PolarHBondContact O-N 2.58Å
240	E	35.8	Very low	53	Low	178 Å²	178	107.7 Å²	107.7	83%	0.832	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	111	-177.6	-67.4	-85	153.3	0	0	110.9
241	G	39.6	Very low	51	Low	77 Å²	77	112 Å²	112	79%	0.794	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	133	-1.5	176.1	0	0	0	0	0	116	P239	P239-G241 PolarHBondContact O-N 2.58Å
242	C	35.9	Very low	49.1	Very low	95 Å²	95	124.5 Å²	124.5	64%	0.642	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-97.2	119.6	173.6	-71.5	0	0	0	0	110.9
243	F	36.1	Very low	47	Very low	198 Å²	198	130.7 Å²	130.7	87%	0.868	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.1	128.3	157.8	-69.8	-84.9	0	0	0	107.8	V245	F243-V245 PolarHBondContact O-N 3.04Å; F243-V245 VanDerWaalsContact O-N 3.1Å
244	P	39.8	Very low	45.1	Very low	108 Å²	108	132.9 Å²	132.9	70%	0.701	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-63.3	119.3	175.2	24.9	-30.5	0	0	0	108.1	L246	P244-L246 VanDerWaalsContact C-N 3.34Å; P244-L246 PolarHBondContact O-N 3.04Å
245	V	44.1	Very low	44	Very low	139 Å²	139	139.1 Å²	139.1	84%	0.842	76%	0.757	S	S	*	*			trans	-65.1	104.3	160.5	178	0	0	0	0	104.9	F243 A247	F243-V245 PolarHBondContact O-N 3.04Å; F243-V245 VanDerWaalsContact O-N 3.1Å; V245-A247 PolarHBondContact O-N 3.28Å
246	L	39.4	Very low	43.5	Very low	154 Å²	154	136.9 Å²	136.9	81%	0.806	76%	0.757	S	S	*	*			trans	-56.4	109.5	171.7	-75.8	165.6	0	0	0	107.1	P244 T248	P244-L246 VanDerWaalsContact C-N 3.34Å; P244-L246 PolarHBondContact O-N 3.04Å; L246-T248 PolarHBondContact O-N 2.93Å; L246-T248 VanDerWaalsContact O-N 3.09Å
247	A	41.4	Very low	43	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	76%	0.762	S	S	*	*			trans	-59.8	114.9	169.4	0	0	0	0	0	107.1	V245 E249	V245-A247 PolarHBondContact O-N 3.28Å; A247-E249 PolarHBondContact O-N 3.22Å
248	T	45.5	Very low	42.7	Very low	134 Å²	134	135.7 Å²	135.7	82%	0.822	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61.5	117.2	169	42.4	0	0	0	0	108	L246	L246-T248 PolarHBondContact O-N 2.93Å; L246-T248 VanDerWaalsContact O-N 3.09Å
249	E	41.4	Very low	42.4	Very low	182 Å²	182	141.9 Å²	141.9	85%	0.85	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.8	138.8	170.9	-77.5	-170.9	144.8	0	0	110	A247	A247-E249 PolarHBondContact O-N 3.22Å
250	P	43.8	Very low	42.5	Very low	115 Å²	115	144.6 Å²	144.6	75%	0.747	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.8	141.7	172.2	27.9	-30.9	0	0	0	110.1
251	P	54.4	Low	43.1	Very low	127 Å²	127	141.8 Å²	141.8	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64.6	142.1	-178.4	25.8	-32.4	0	0	0	111.7
252	K	55.2	Low	43.4	Very low	280 Å²	280	147.7 Å²	147.7	100%	1.217	83%	0.826	S	S	*	*			trans	-63.5	0	177.1	-77	-179.3	178.2	173.9	0	113.4

Retrieved 252 of 252 residues in 248.5 ms (Link to these results)

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