A0A5K4F871_SCHMA Loading...

Tripartite motif-containing protein 2

AlphaFold DB , UniProt , Accession A0A5K4F871, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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	35.2	Very low	31.2	Very low	233 Å²	233	152.4 Å²	152.4	100%	1.148	78%	0.779	S	S	*	*				0	145.9	0	-78.3	-164.4	179.8	0	0	107.1
2	D	34.8	Very low	30.6	Very low	158 Å²	158	150.3 Å²	150.3	85%	0.845	78%	0.78	S	S	*	*			trans	84	95.1	173.9	-54	-17.4	0	0	0	118.2
3	N	34.3	Very low	30.2	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	77%	0.77	S	S	*	*			trans	-78.7	155	145.8	-96.1	-13.4	0	0	0	109.9
4	P	43.4	Very low	29.8	Very low	123 Å²	123	142.1 Å²	142.1	80%	0.799	76%	0.761	S	S	*	*				-129.2	122.2	120.4	33	-21.7	0	0	0	108.9
5	R	28.5	Very low	29.6	Very low	205 Å²	205	140.1 Å²	140.1	77%	0.774	76%	0.756	S	S	*	*				68	108.7	56.4	-79.7	-163.1	170.2	-176.3	0.8	116.7
6	H	28.6	Very low	29.3	Very low	135 Å²	135	139.9 Å²	139.9	63%	0.625	76%	0.755	S	S	*	*			trans	66.8	123.4	135.8	-75.1	-73.2	0	0	0	121.3	D8	H6-D8 IonicContact ND1-OD2 3.92Å
7	D	33.9	Very low	29.2	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	75%	0.754	S	S	*	*				172.1	97.3	111	-83.1	-19.1	0	0	0	107.4
8	D	27.9	Very low	29	Very low	121 Å²	121	141.7 Å²	141.7	65%	0.647	75%	0.754	S	S	*	*				55.1	117.2	81.8	-81.8	-30.6	0	0	0	116.7	H6	H6-D8 IonicContact ND1-OD2 3.92Å
9	M	25.5	Very low	28.9	Very low	161 Å²	161	140.7 Å²	140.7	79%	0.793	75%	0.749	S	S	*	*				86	121.3	128.6	-83.9	-178.5	68.5	0	0	122.1
10	V	26.3	Very low	28.8	Very low	100 Å²	100	143.2 Å²	143.2	61%	0.606	75%	0.753	S	S	*	*				110.1	110.5	120.4	169.1	0	0	0	0	119.5
11	L	24.9	Very low	28.6	Very low	145 Å²	145	139.9 Å²	139.9	76%	0.759	75%	0.754	S	S	*	*				17.7	138.4	129.9	-56.7	141.6	0	0	0	118.4
12	T	24.2	Very low	28.3	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	74%	0.739	S	S	*	*				172.2	136.9	96.9	36.7	0	0	0	0	114.2
13	S	24.7	Very low	28	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	74%	0.742	S	S	*	*			trans	-16.4	139.9	150.1	56.8	0	0	0	0	121.8
14	S	25.3	Very low	27.7	Very low	92 Å²	92	133.9 Å²	133.9	64%	0.643	74%	0.744	S	S	*	*				89	142.1	116.6	72.3	0	0	0	0	123.5
15	T	26	Very low	27	Very low	113 Å²	113	132.6 Å²	132.6	69%	0.693	74%	0.738	S	S	*	*			trans	99.9	119.7	142.1	65.3	0	0	0	0	121
16	N	25.5	Very low	27.1	Very low	137 Å²	137	130 Å²	130	73%	0.733	74%	0.738	S	S	*	*				58.1	119.6	127.3	-64.3	-16	0	0	0	120.5
17	N	27.1	Very low	27.2	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	75%	0.749	S	S	*	*				167.6	118.1	111.1	-87.5	-32.4	0	0	0	108.1
18	K	25.5	Very low	27.3	Very low	173 Å²	173	127.7 Å²	127.7	75%	0.752	75%	0.748	S	S	*	*				68.7	125.4	87	-85.5	-167.9	178.1	-175.6	0	113.4
19	D	27.7	Very low	27.8	Very low	122 Å²	122	128.9 Å²	128.9	65%	0.652	76%	0.76	S	S	*	*			trans	108.1	123.6	130.1	-78.4	-6.3	0	0	0	121.6
20	F	26.4	Very low	28.7	Very low	190 Å²	190	126.9 Å²	126.9	83%	0.833	76%	0.756	S	S	*	*			trans	66.7	110.2	146.1	-73	-75.3	0	0	0	122.5
21	G	25	Very low	29.7	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	77%	0.768	S	S	*	*				88	137.5	97.9	0	0	0	0	0	120.3
22	A	28.7	Very low	30.9	Very low	101 Å²	101	132.2 Å²	132.2	84%	0.835	77%	0.768	S	S	*	*			trans	93.5	106.3	157.1	0	0	0	0	0	119.1
23	L	28	Very low	32.5	Very low	172 Å²	172	130.8 Å²	130.8	90%	0.901	76%	0.76	S	S	*	*			trans	-52.7	128.8	154.4	-77	94	0	0	0	111.2
24	V	29.6	Very low	34	Very low	135 Å²	135	134 Å²	134	82%	0.818	76%	0.764	S	S	*	*			trans	-147.9	125.6	137.2	178.5	0	0	0	0	108.9
25	S	27.8	Very low	35.9	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	75%	0.754	S	S	*	*			trans	-56.3	141.8	166.8	47.6	0	0	0	0	113.7
26	I	31.2	Very low	37.9	Very low	150 Å²	150	132 Å²	132	77%	0.769	75%	0.747	S	S	*	*				165.6	116.4	127.9	-79.6	150.9	0	0	0	108.8
27	N	31	Very low	40.3	Very low	163 Å²	163	133 Å²	133	87%	0.872	74%	0.742	S	S	*	*			trans	31.3	107.6	149.9	-58.8	-18.3	0	0	0	119.7
28	G	35.7	Very low	42.7	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	73%	0.729	S	S	*	*			trans	-171.9	85.3	165	0	0	0	0	0	112.2	V30	G28-V30 PolarHBondContact O-N 3.1Å
29	T	38	Very low	45.3	Very low	145 Å²	145	125.8 Å²	125.8	89%	0.89	72%	0.716	S	S	*	*			trans	-74	76.1	176.4	44.9	0	0	0	0	111.9
30	V	45.2	Very low	47.9	Very low	119 Å²	119	125 Å²	125	72%	0.721	71%	0.708	S	S	*	*			trans	-152.9	68.1	166.9	-164.8	0	0	0	0	112	G28	G28-V30 PolarHBondContact O-N 3.1Å
31	E	46.8	Very low	50.8	Low	182 Å²	182	119 Å²	119	85%	0.85	69%	0.687	S	S	*	*			trans	-137.1	4	163.8	-77.4	-167.2	163.2	0	0	114.8	T33	E31-T33 VanDerWaalsContact C-N 3.28Å; E31-T33 PolarHBondContact O-N 3.15Å
32	K	49.8	Very low	53.6	Low	175 Å²	175	119.4 Å²	119.4	76%	0.761	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-5.2	176.7	-80.5	-171.6	174	-175	0	115.3	S35	K32-S35 PolarHBondContact O-OG 3.36Å
33	T	56.7	Low	56.4	Low	99 Å²	99	118.9 Å²	118.9	61%	0.607	66%	0.655	S	S	*	*	H	α-helix	trans	-81.9	-26.7	-173.3	47.4	0	0	0	0	114.2	E31 Y37	E31-T33 VanDerWaalsContact C-N 3.28Å; E31-T33 PolarHBondContact O-N 3.15Å; T33-Y37 PolarHBondContact O-N 2.81Å
34	Q	56.3	Low	59.3	Low	159 Å²	159	116.9 Å²	116.9	74%	0.743	64%	0.639	S	S	*	*	H	α-helix	trans	-76.4	-35.6	-179.9	-82.7	-177.7	-12.4	0	0	113.1	C38	Q34-C38 WeakPolarHBondContact O-CB 3.22Å; Q34-C38 PolarHBondContact O-N 3.23Å; Q34-C38 VanDerWaalsContact O-N 3.12Å; Q34-C38 PolarHBondContact O-SG 3.27Å
35	S	65	Low	62.1	Low	62 Å²	62	114.8 Å²	114.8	43%	0.434	62%	0.623	S	S	.	*	H	α-helix	trans	-68	-40.1	178.9	61.8	0	0	0	0	112.4	K32 C38 N39	K32-S35 PolarHBondContact O-OG 3.36Å; S35-C38 PolarHBondContact O-N 3.35Å; S35-N39 VanDerWaalsContact O-CG 3.24Å; S35-N39 PolarHBondContact O-N 2.87Å; S35-N39 PolarHBondContact O-ND2 3.36Å
36	D	69.7	Low	65.1	Low	101 Å²	101	118.2 Å²	118.2	54%	0.54	62%	0.621	S	S	.	*	H	α-helix	trans	-70.8	-38.6	-177.2	-66.2	-8.7	0	0	0	111	N39 E40	D36-N39 PolarHBondContact O-N 3.35Å; D36-E40 PolarHBondContact O-N 3.28Å
37	Y	74.6	Confident	68	Low	159 Å²	159	116.4 Å²	116.4	62%	0.624	61%	0.612	S	S	*	*	H	α-helix	trans	-64.6	-42.7	173.3	-172.7	-98.8	0	0	0	112.1	T33 N39 E40 V41	T33-Y37 PolarHBondContact O-N 2.81Å; Y37-N39 VanDerWaalsContact C-N 3.29Å; Y37-N39 PolarHBondContact O-N 2.9Å; Y37-E40 PolarHBondContact O-N 3.48Å; Y37-V41 HydrophobicContact CD1-CG2 4.09Å; Y37-V41 HydrophobicContact CE1-CG2 3.75Å; Y37-V41 WeakPolarHBondContact O-CB 3.41Å; Y37-V41 VanDerWaalsContact O-CG2 3.26Å; Y37-V41 WeakPolarHBondContact O-CG2 3.38Å; Y37-V41 PolarHBondContact O-N 3.16Å
38	C	77.4	Confident	70.8	Confident	72 Å²	72	110.8 Å²	110.8	49%	0.486	59%	0.589	S	S	.	*	H	α-helix	trans	-61.5	-36.9	174.4	-73.4	0	0	0	0	112.3	Q34 S35 N42	Q34-C38 WeakPolarHBondContact O-CB 3.22Å; Q34-C38 PolarHBondContact O-N 3.23Å; Q34-C38 VanDerWaalsContact O-N 3.12Å; Q34-C38 PolarHBondContact O-SG 3.27Å; S35-C38 PolarHBondContact O-N 3.35Å; C38-N42 WeakPolarHBondContact O-CB 3.12Å; C38-N42 VanDerWaalsContact O-CG 3.25Å; C38-N42 PolarHBondContact O-N 2.94Å; C38-N42 PolarHBondContact O-ND2 3.27Å; C38-N42 VanDerWaalsContact O-ND2 3.16Å
39	N	81.4	Confident	73.5	Confident	89 Å²	89	112.4 Å²	112.4	48%	0.476	58%	0.575	S	S	.	*	H	α-helix	trans	-68.8	-45	176.4	-70.1	-23.9	0	0	0	112.1	S35 D36 Y37 V41 N42 D43	S35-N39 VanDerWaalsContact O-CG 3.24Å; S35-N39 PolarHBondContact O-N 2.87Å; S35-N39 PolarHBondContact O-ND2 3.36Å; D36-N39 PolarHBondContact O-N 3.35Å; Y37-N39 VanDerWaalsContact C-N 3.29Å; Y37-N39 PolarHBondContact O-N 2.9Å; N39-V41 VanDerWaalsContact C-N 3.33Å; N39-V41 PolarHBondContact O-N 3.07Å; N39-N42 PolarHBondContact O-N 3.17Å; N39-D43 PolarHBondContact O-N 3.21Å
40	E	82.3	Confident	76.1	Confident	105 Å²	105	110.7 Å²	110.7	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-62.9	-39.7	177.3	-166.7	-171.3	158.7	0	0	111.9	D36 Y37 D43 K44	D36-E40 PolarHBondContact O-N 3.28Å; Y37-E40 PolarHBondContact O-N 3.48Å; E40-D43 PolarHBondContact O-N 3.41Å; E40-K44 PolarHBondContact O-N 2.76Å; E40-K44 IonicContact OE1-NZ 3.7Å; E40-K44 PolarHBondContact OE1-NZ 2.97Å
41	V	85.6	Confident	78.3	Confident	63 Å²	63	108.9 Å²	108.9	38%	0.382	55%	0.55	S	S	.	.	H	α-helix	trans	-62.7	-43.6	174.2	171.7	0	0	0	0	110.8	Y37 N39 K44 L45	Y37-V41 HydrophobicContact CD1-CG2 4.09Å; Y37-V41 HydrophobicContact CE1-CG2 3.75Å; Y37-V41 WeakPolarHBondContact O-CB 3.41Å; Y37-V41 VanDerWaalsContact O-CG2 3.26Å; Y37-V41 WeakPolarHBondContact O-CG2 3.38Å; Y37-V41 PolarHBondContact O-N 3.16Å; N39-V41 VanDerWaalsContact C-N 3.33Å; N39-V41 PolarHBondContact O-N 3.07Å; V41-K44 PolarHBondContact O-N 3.3Å; V41-L45 WeakPolarHBondContact O-CB 3.23Å; V41-L45 PolarHBondContact O-N 3.45Å
42	N	85.4	Confident	80.5	Confident	84 Å²	84	105.5 Å²	105.5	45%	0.449	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-38.4	177	-77.5	-29.5	0	0	0	112.8	C38 N39 L45 R46	C38-N42 WeakPolarHBondContact O-CB 3.12Å; C38-N42 VanDerWaalsContact O-CG 3.25Å; C38-N42 PolarHBondContact O-N 2.94Å; C38-N42 PolarHBondContact O-ND2 3.27Å; C38-N42 VanDerWaalsContact O-ND2 3.16Å; N39-N42 PolarHBondContact O-N 3.17Å; N42-L45 PolarHBondContact O-N 2.89Å; N42-R46 WeakPolarHBondContact O-CG 3.38Å; N42-R46 PolarHBondContact O-N 3.17Å
43	D	85.9	Confident	82.6	Confident	91 Å²	91	103.2 Å²	103.2	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-42.1	176.6	-73.6	-20.7	0	0	0	111.5	N39 E40 L45 R46 L47	N39-D43 PolarHBondContact O-N 3.21Å; E40-D43 PolarHBondContact O-N 3.41Å; D43-L45 VanDerWaalsContact C-N 3.32Å; D43-L45 PolarHBondContact O-N 3.06Å; D43-R46 PolarHBondContact O-N 3.39Å; D43-L47 WeakPolarHBondContact O-CG 3.45Å; D43-L47 PolarHBondContact O-N 3.09Å
44	K	89.1	Confident	84.3	Confident	130 Å²	130	102.3 Å²	102.3	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-66.2	-34.5	173	-72	-168.1	-174.8	169.9	0	112.5	E40 V41 L47 A48	E40-K44 PolarHBondContact O-N 2.76Å; E40-K44 IonicContact OE1-NZ 3.7Å; E40-K44 PolarHBondContact OE1-NZ 2.97Å; V41-K44 PolarHBondContact O-N 3.3Å; K44-L47 PolarHBondContact O-N 3.4Å; K44-A48 VanDerWaalsContact O-CB 3.31Å; K44-A48 WeakPolarHBondContact O-CB 3.47Å; K44-A48 PolarHBondContact O-N 3.09Å
45	L	90.3	Very high	85.9	Confident	90 Å²	90	99.6 Å²	99.6	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-43.9	176.5	-159.9	119.4	0	0	0	111	V41 N42 D43 A48 E49	V41-L45 WeakPolarHBondContact O-CB 3.23Å; V41-L45 PolarHBondContact O-N 3.45Å; N42-L45 PolarHBondContact O-N 2.89Å; D43-L45 VanDerWaalsContact C-N 3.32Å; D43-L45 PolarHBondContact O-N 3.06Å; L45-A48 WeakPolarHBondContact O-CB 3.22Å; L45-A48 PolarHBondContact O-N 3.01Å; L45-E49 WeakPolarHBondContact CD2-OE1 3.42Å; L45-E49 WeakPolarHBondContact O-CG 3.32Å; L45-E49 PolarHBondContact O-N 3.02Å
46	R	89.9	Confident	87.2	Confident	169 Å²	169	99.1 Å²	99.1	64%	0.638	51%	0.51	S	S	*	.	H	α-helix	trans	-61	-46.4	173.3	-75.4	179.1	175.6	178.2	-0.2	112.7	N42 D43 A48 E49 D50	N42-R46 WeakPolarHBondContact O-CG 3.38Å; N42-R46 PolarHBondContact O-N 3.17Å; D43-R46 PolarHBondContact O-N 3.39Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 3.4Å; R46-E49 PolarHBondContact O-N 3.43Å; R46-D50 PolarHBondContact O-N 3.15Å
47	L	91	Very high	88.3	Confident	111 Å²	111	98.9 Å²	98.9	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-39.9	174.8	-77.6	167.7	0	0	0	111.6	D43 K44 D50 V51	D43-L47 WeakPolarHBondContact O-CG 3.45Å; D43-L47 PolarHBondContact O-N 3.09Å; K44-L47 PolarHBondContact O-N 3.4Å; L47-D50 PolarHBondContact O-N 3.16Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 VanDerWaalsContact O-CG2 3.24Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.28Å
48	A	91.4	Very high	89.2	Confident	46 Å²	46	97 Å²	97	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-40.7	176	0	0	0	0	0	111.8	K44 L45 R46 V51 I52	K44-A48 VanDerWaalsContact O-CB 3.31Å; K44-A48 WeakPolarHBondContact O-CB 3.47Å; K44-A48 PolarHBondContact O-N 3.09Å; L45-A48 WeakPolarHBondContact O-CB 3.22Å; L45-A48 PolarHBondContact O-N 3.01Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 3.4Å; A48-V51 PolarHBondContact O-N 3.3Å; A48-I52 WeakPolarHBondContact O-CB 3.47Å; A48-I52 WeakPolarHBondContact O-CD1 3.49Å; A48-I52 WeakPolarHBondContact O-CG1 3.42Å; A48-I52 PolarHBondContact O-N 3.49Å
49	E	92.7	Very high	89.9	Confident	109 Å²	109	96.9 Å²	96.9	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-61.5	-44.7	175	-73.7	173	169	0	0	112	L45 R46 V51 I52 K53	L45-E49 WeakPolarHBondContact CD2-OE1 3.42Å; L45-E49 WeakPolarHBondContact O-CG 3.32Å; L45-E49 PolarHBondContact O-N 3.02Å; R46-E49 PolarHBondContact O-N 3.43Å; E49-V51 PolarHBondContact O-N 3.48Å; E49-I52 PolarHBondContact O-N 2.87Å; E49-K53 PolarHBondContact O-N 3.04Å
50	D	91.4	Very high	90.4	Very high	109 Å²	109	98.8 Å²	98.8	58%	0.583	50%	0.503	S	S	*	.	H	α-helix	trans	-62.8	-42.4	176.3	-74.4	-23.9	0	0	0	111.7	R46 L47 K53 C54	R46-D50 PolarHBondContact O-N 3.15Å; L47-D50 PolarHBondContact O-N 3.16Å; D50-K53 PolarHBondContact O-N 3.48Å; D50-C54 PolarHBondContact O-N 2.99Å
51	V	92	Very high	90.8	Very high	81 Å²	81	98.7 Å²	98.7	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-68.1	-41.5	176.7	171.5	0	0	0	0	111.2	L47 A48 E49 K53 C54 L55	L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 VanDerWaalsContact O-CG2 3.24Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.28Å; A48-V51 PolarHBondContact O-N 3.3Å; E49-V51 PolarHBondContact O-N 3.48Å; V51-K53 VanDerWaalsContact C-N 3.29Å; V51-K53 PolarHBondContact O-N 2.89Å; V51-C54 PolarHBondContact O-N 3.39Å; V51-L55 HydrophobicContact CG1-CD1 3.77Å; V51-L55 HydrophobicContact CG1-CG 4.14Å; V51-L55 WeakPolarHBondContact O-CB 3.32Å; V51-L55 VanDerWaalsContact O-CG 3.27Å; V51-L55 WeakPolarHBondContact O-CG 3.47Å; V51-L55 PolarHBondContact O-N 3.07Å
52	I	93.5	Very high	91	Very high	111 Å²	111	99.9 Å²	99.9	57%	0.569	51%	0.506	S	S	*	.	H	α-helix	trans	-58.7	-44.2	175.8	-74.6	163.7	0	0	0	109.9	A48 E49 L55 S56	A48-I52 WeakPolarHBondContact O-CB 3.47Å; A48-I52 WeakPolarHBondContact O-CD1 3.49Å; A48-I52 WeakPolarHBondContact O-CG1 3.42Å; A48-I52 PolarHBondContact O-N 3.49Å; E49-I52 PolarHBondContact O-N 2.87Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.49Å; I52-S56 PolarHBondContact O-N 3.48Å; I52-S56 PolarHBondContact O-OG 3.13Å
53	K	92.9	Very high	91.3	Very high	128 Å²	128	102 Å²	102	56%	0.557	51%	0.513	S	S	*	.	H	α-helix	trans	-62.1	-46.2	177.1	-174	-176	174.6	-169.7	0	112.3	E49 D50 V51 L55 S56 E57	E49-K53 PolarHBondContact O-N 3.04Å; D50-K53 PolarHBondContact O-N 3.48Å; V51-K53 VanDerWaalsContact C-N 3.29Å; V51-K53 PolarHBondContact O-N 2.89Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.03Å; K53-S56 WeakPolarHBondContact CA-OG 3.39Å; K53-S56 PolarHBondContact O-N 3.3Å; K53-S56 PolarHBondContact O-OG 3.34Å; K53-E57 WeakPolarHBondContact CE-OE1 3.39Å; K53-E57 WeakPolarHBondContact O-CG 2.92Å; K53-E57 PolarHBondContact O-N 3.08Å
54	C	91.8	Very high	91.5	Very high	80 Å²	80	101 Å²	101	54%	0.541	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-40.2	177.2	-175.7	0	0	0	0	111.9	D50 V51 R58	D50-C54 PolarHBondContact O-N 2.99Å; V51-C54 PolarHBondContact O-N 3.39Å; C54-R58 WeakPolarHBondContact O-CB 3.41Å; C54-R58 PolarHBondContact O-N 2.94Å
55	L	91.7	Very high	91.5	Very high	102 Å²	102	99 Å²	99	53%	0.534	51%	0.509	S	S	.	.	H	α-helix	trans	-68.8	-38	176.8	-71.2	175.7	0	0	0	112.1	V51 I52 K53 R58 C59	V51-L55 HydrophobicContact CG1-CD1 3.77Å; V51-L55 HydrophobicContact CG1-CG 4.14Å; V51-L55 WeakPolarHBondContact O-CB 3.32Å; V51-L55 VanDerWaalsContact O-CG 3.27Å; V51-L55 WeakPolarHBondContact O-CG 3.47Å; V51-L55 PolarHBondContact O-N 3.07Å; I52-L55 PolarHBondContact O-N 3.27Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.03Å; L55-R58 PolarHBondContact O-N 3.1Å; L55-C59 WeakPolarHBondContact O-CB 3.38Å; L55-C59 PolarHBondContact O-N 2.97Å; L55-C59 PolarHBondContact O-SG 3.48Å
56	S	92.3	Very high	91.4	Very high	51 Å²	51	98.3 Å²	98.3	36%	0.357	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-45.8	176.6	59.5	0	0	0	0	111.7	I52 K53 R58 C59 E60	I52-S56 WeakPolarHBondContact O-CB 3.49Å; I52-S56 PolarHBondContact O-N 3.48Å; I52-S56 PolarHBondContact O-OG 3.13Å; K53-S56 WeakPolarHBondContact CA-OG 3.39Å; K53-S56 PolarHBondContact O-N 3.3Å; K53-S56 PolarHBondContact O-OG 3.34Å; S56-R58 PolarHBondContact O-N 3.46Å; S56-C59 WeakPolarHBondContact O-CB 3.41Å; S56-C59 PolarHBondContact O-N 2.92Å; S56-C59 VanDerWaalsContact O-N 3.13Å; S56-E60 WeakPolarHBondContact O-CG 3.48Å; S56-E60 PolarHBondContact O-N 3.45Å
57	E	92.4	Very high	91.4	Very high	97 Å²	97	98 Å²	98	45%	0.453	52%	0.517	S	S	.	.	H	α-helix	trans	-57.4	-41.5	174	-72.4	172.1	-176.7	0	0	110.5	K53 E60 E61	K53-E57 WeakPolarHBondContact CE-OE1 3.39Å; K53-E57 WeakPolarHBondContact O-CG 2.92Å; K53-E57 PolarHBondContact O-N 3.08Å; E57-E60 PolarHBondContact O-N 2.98Å; E57-E61 WeakPolarHBondContact O-CG 3.48Å; E57-E61 PolarHBondContact O-N 3.43Å
58	R	92.5	Very high	91.3	Very high	119 Å²	119	99.1 Å²	99.1	45%	0.449	51%	0.514	S	S	.	.	H	α-helix	trans	-68.7	-36.7	177.6	-169.4	58.7	178.9	147.7	6.5	113.2	C54 L55 S56 E61 L62	C54-R58 WeakPolarHBondContact O-CB 3.41Å; C54-R58 PolarHBondContact O-N 2.94Å; L55-R58 PolarHBondContact O-N 3.1Å; S56-R58 PolarHBondContact O-N 3.46Å; R58-E61 WeakPolarHBondContact CD-OE2 3.45Å; R58-E61 IonicContact CZ-OE2 2.83Å; R58-E61 IonicContact NH1-OE2 2.99Å; R58-E61 PolarHBondContact NH1-OE2 3.32Å; R58-L62 HydrophobicContact CG-CD1 4.35Å; R58-L62 WeakPolarHBondContact O-CB 3.34Å; R58-L62 VanDerWaalsContact O-CG 3.24Å; R58-L62 WeakPolarHBondContact O-CG 3.49Å; R58-L62 PolarHBondContact O-N 3.36Å
59	C	92.5	Very high	91.1	Very high	69 Å²	69	102.4 Å²	102.4	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-44.5	174.1	-75	0	0	0	0	111.1	L55 S56 E61 L62 E63	L55-C59 WeakPolarHBondContact O-CB 3.38Å; L55-C59 PolarHBondContact O-N 2.97Å; L55-C59 PolarHBondContact O-SG 3.48Å; S56-C59 WeakPolarHBondContact O-CB 3.41Å; S56-C59 PolarHBondContact O-N 2.92Å; S56-C59 VanDerWaalsContact O-N 3.13Å; C59-E61 PolarHBondContact O-N 3.43Å; C59-L62 PolarHBondContact O-N 2.94Å; C59-L62 VanDerWaalsContact O-N 3.16Å; C59-E63 WeakPolarHBondContact O-CG 3.25Å; C59-E63 PolarHBondContact O-N 3.27Å
60	E	92.4	Very high	91	Very high	130 Å²	130	101.2 Å²	101.2	61%	0.607	53%	0.526	S	S	*	.	H	α-helix	trans	-61.4	-43	176.5	-70.6	177.3	-175	0	0	111.9	S56 E57 L62 E63 S64	S56-E60 WeakPolarHBondContact O-CG 3.48Å; S56-E60 PolarHBondContact O-N 3.45Å; E57-E60 PolarHBondContact O-N 2.98Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.29Å; E60-E63 PolarHBondContact O-N 3.49Å; E60-S64 PolarHBondContact O-N 3.45Å
61	E	89.9	Confident	90.9	Very high	102 Å²	102	99.5 Å²	99.5	48%	0.477	52%	0.522	S	S	.	.	H	α-helix	trans	-59.3	-44.1	173.1	-74.1	-179.5	172.6	0	0	111.8	E57 R58 C59 S64 L65	E57-E61 WeakPolarHBondContact O-CG 3.48Å; E57-E61 PolarHBondContact O-N 3.43Å; R58-E61 WeakPolarHBondContact CD-OE2 3.45Å; R58-E61 IonicContact CZ-OE2 2.83Å; R58-E61 IonicContact NH1-OE2 2.99Å; R58-E61 PolarHBondContact NH1-OE2 3.32Å; C59-E61 PolarHBondContact O-N 3.43Å; E61-S64 PolarHBondContact O-N 3Å; E61-S64 PolarHBondContact O-OG 3.01Å; E61-L65 VanDerWaalsContact O-CG 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.37Å; E61-L65 PolarHBondContact O-N 3.08Å
62	L	90	Very high	90.7	Very high	88 Å²	88	97.5 Å²	97.5	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-36.2	179.4	-72	171.5	0	0	0	112.5	R58 C59 E60 L65 S66	R58-L62 HydrophobicContact CG-CD1 4.35Å; R58-L62 WeakPolarHBondContact O-CB 3.34Å; R58-L62 VanDerWaalsContact O-CG 3.24Å; R58-L62 WeakPolarHBondContact O-CG 3.49Å; R58-L62 PolarHBondContact O-N 3.36Å; C59-L62 PolarHBondContact O-N 2.94Å; C59-L62 VanDerWaalsContact O-N 3.16Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.29Å; L62-L65 PolarHBondContact O-N 2.87Å; L62-S66 WeakPolarHBondContact O-CB 3.45Å; L62-S66 PolarHBondContact O-N 3.24Å
63	E	92	Very high	90.5	Very high	130 Å²	130	100.9 Å²	100.9	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-46.4	173	-75.2	178.6	-178.9	0	0	111	C59 E60 L65 S66 E67	C59-E63 WeakPolarHBondContact O-CG 3.25Å; C59-E63 PolarHBondContact O-N 3.27Å; E60-E63 PolarHBondContact O-N 3.49Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 3.19Å; E63-S66 WeakPolarHBondContact O-CA 3.25Å; E63-S66 VanDerWaalsContact O-CB 3.29Å; E63-S66 WeakPolarHBondContact O-CB 3.49Å; E63-S66 PolarHBondContact O-N 3.09Å; E63-S66 VanDerWaalsContact O-N 3.08Å; E63-E67 PolarHBondContact O-N 2.99Å
64	S	90.8	Very high	90.5	Very high	69 Å²	69	102.7 Å²	102.7	48%	0.483	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-38.8	176.5	78.2	0	0	0	0	112.6	E60 E61 E67 Y68	E60-S64 PolarHBondContact O-N 3.45Å; E61-S64 PolarHBondContact O-N 3Å; E61-S64 PolarHBondContact O-OG 3.01Å; S64-E67 PolarHBondContact O-N 2.91Å; S64-Y68 PolarHBondContact O-N 3.49Å
65	L	88.7	Confident	90.4	Very high	89 Å²	89	104.2 Å²	104.2	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-68.4	-38.7	175.1	-72.8	171.5	0	0	0	111.4	E61 L62 E63 E67 Y68 L69	E61-L65 VanDerWaalsContact O-CG 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.37Å; E61-L65 PolarHBondContact O-N 3.08Å; L62-L65 PolarHBondContact O-N 2.87Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 3.19Å; L65-E67 VanDerWaalsContact C-N 3.32Å; L65-E67 PolarHBondContact O-N 3.39Å; L65-Y68 PolarHBondContact O-N 3.34Å; L65-L69 WeakPolarHBondContact O-CG 3.35Å; L65-L69 PolarHBondContact O-N 3.3Å; L65-L69 VanDerWaalsContact O-N 3.16Å
66	S	88.6	Confident	90.3	Very high	75 Å²	75	102.5 Å²	102.5	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-40.6	175.6	-172.9	0	0	0	0	111.8	L62 E63 Y68 P70	L62-S66 WeakPolarHBondContact O-CB 3.45Å; L62-S66 PolarHBondContact O-N 3.24Å; E63-S66 WeakPolarHBondContact O-CA 3.25Å; E63-S66 VanDerWaalsContact O-CB 3.29Å; E63-S66 WeakPolarHBondContact O-CB 3.49Å; E63-S66 PolarHBondContact O-N 3.09Å; E63-S66 VanDerWaalsContact O-N 3.08Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 2.77Å; S66-P70 WeakPolarHBondContact O-CD 3.5Å
67	E	89.9	Confident	90.3	Very high	162 Å²	162	107.3 Å²	107.3	76%	0.757	52%	0.524	S	S	*	.	H	α-helix	trans	-68.8	-28.9	175.4	-69.6	-171.8	168.2	0	0	113.4	E63 S64 L65 P70	E63-E67 PolarHBondContact O-N 2.99Å; S64-E67 PolarHBondContact O-N 2.91Å; L65-E67 VanDerWaalsContact C-N 3.32Å; L65-E67 PolarHBondContact O-N 3.39Å; E67-P70 WeakPolarHBondContact O-CD 3.27Å
68	Y	88.3	Confident	90.2	Very high	134 Å²	134	104.5 Å²	104.5	53%	0.525	52%	0.521	S	S	.	.	H	α-helix	trans	-75.9	-31.6	178.3	-175.1	-112.7	0	0	0	113.2	S64 L65 S66 C71 V72	S64-Y68 PolarHBondContact O-N 3.49Å; L65-Y68 PolarHBondContact O-N 3.34Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 2.77Å; Y68-C71 HydrophobicContact CD2-CB 4.48Å; Y68-C71 WeakPolarHBondContact O-CA 3.44Å; Y68-C71 VanDerWaalsContact O-CB 3.26Å; Y68-C71 WeakPolarHBondContact O-CB 3.42Å; Y68-C71 PolarHBondContact O-N 3.32Å; Y68-V72 HydrophobicContact CD1-CG2 3.53Å; Y68-V72 HydrophobicContact CE1-CG2 3.09Å; Y68-V72 HydrophobicContact CE2-CG2 4.24Å; Y68-V72 HydrophobicContact CG-CG2 4.27Å; Y68-V72 VanDerWaalsContact CZ-CG2 3.49Å; Y68-V72 PolarHBondContact O-N 3.24Å; Y68-V72 VanDerWaalsContact O-N 3.16Å
69	L	86.9	Confident	90.1	Very high	115 Å²	115	104.1 Å²	104.1	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-55.3	-43.5	-177.5	-74.6	175	0	0	0	114.6	L65 C71 V72 R73	L65-L69 WeakPolarHBondContact O-CG 3.35Å; L65-L69 PolarHBondContact O-N 3.3Å; L65-L69 VanDerWaalsContact O-N 3.16Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 2.92Å; L69-V72 PolarHBondContact O-N 3.25Å; L69-R73 WeakPolarHBondContact O-CB 3.42Å; L69-R73 PolarHBondContact O-N 2.9Å
70	P	90.9	Very high	89.9	Confident	84 Å²	84	104.3 Å²	104.3	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-57.9	-35.5	172.4	-26.9	33.5	0	0	0	114.3	S66 E67 K74	S66-P70 WeakPolarHBondContact O-CD 3.5Å; E67-P70 WeakPolarHBondContact O-CD 3.27Å; P70-K74 PolarHBondContact O-N 3.13Å
71	C	89.5	Confident	90	Very high	73 Å²	73	101.7 Å²	101.7	49%	0.493	51%	0.51	S	S	.	.	H	α-helix	trans	-66.9	-50.2	178.4	-168.7	0	0	0	0	110.6	Y68 L69 R73 K74 E75	Y68-C71 HydrophobicContact CD2-CB 4.48Å; Y68-C71 WeakPolarHBondContact O-CA 3.44Å; Y68-C71 VanDerWaalsContact O-CB 3.26Å; Y68-C71 WeakPolarHBondContact O-CB 3.42Å; Y68-C71 PolarHBondContact O-N 3.32Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 2.92Å; C71-R73 VanDerWaalsContact C-N 3.3Å; C71-R73 PolarHBondContact O-N 3.37Å; C71-K74 WeakPolarHBondContact O-CB 3.27Å; C71-K74 PolarHBondContact O-N 3.29Å; C71-E75 PolarHBondContact O-N 3.33Å
72	V	88.1	Confident	90.1	Very high	39 Å²	39	102.5 Å²	102.5	24%	0.236	51%	0.514	C	S	.	.	H	α-helix	trans	-58.1	-43.3	175.2	178.7	0	0	0	0	111.1	Y68 L69 K74 E75 I76	Y68-V72 HydrophobicContact CD1-CG2 3.53Å; Y68-V72 HydrophobicContact CE1-CG2 3.09Å; Y68-V72 HydrophobicContact CE2-CG2 4.24Å; Y68-V72 HydrophobicContact CG-CG2 4.27Å; Y68-V72 VanDerWaalsContact CZ-CG2 3.49Å; Y68-V72 PolarHBondContact O-N 3.24Å; Y68-V72 VanDerWaalsContact O-N 3.16Å; L69-V72 PolarHBondContact O-N 3.25Å; V72-K74 VanDerWaalsContact C-N 3.3Å; V72-K74 PolarHBondContact O-N 3.29Å; V72-E75 PolarHBondContact O-N 3Å; V72-I76 HydrophobicContact CG1-CD1 3.65Å; V72-I76 HydrophobicContact CG1-CG1 4.22Å; V72-I76 WeakPolarHBondContact O-CB 3.31Å; V72-I76 WeakPolarHBondContact O-CG1 3.47Å; V72-I76 PolarHBondContact O-N 2.88Å
73	R	88.8	Confident	90.1	Very high	182 Å²	182	100.1 Å²	100.1	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-58.7	-41.8	176.1	-177.7	-178.6	-178.9	-179.4	1.9	112	L69 C71 R77	L69-R73 WeakPolarHBondContact O-CB 3.42Å; L69-R73 PolarHBondContact O-N 2.9Å; C71-R73 VanDerWaalsContact C-N 3.3Å; C71-R73 PolarHBondContact O-N 3.37Å; R73-R77 WeakPolarHBondContact O-CB 3.35Å; R73-R77 PolarHBondContact O-N 3.42Å
74	K	92.1	Very high	90	Very high	167 Å²	167	97.8 Å²	97.8	73%	0.726	50%	0.495	S	S	*	.	H	α-helix	trans	-67.1	-41.9	179.2	-174.1	-178.8	176.9	-175.9	0	111.4	P70 C71 V72 G78	P70-K74 PolarHBondContact O-N 3.13Å; C71-K74 WeakPolarHBondContact O-CB 3.27Å; C71-K74 PolarHBondContact O-N 3.29Å; V72-K74 VanDerWaalsContact C-N 3.3Å; V72-K74 PolarHBondContact O-N 3.29Å; K74-G78 PolarHBondContact O-N 3.43Å
75	E	91	Very high	90.1	Very high	112 Å²	112	100.7 Å²	100.7	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-53	177.3	-174.5	179.7	174	0	0	111.8	C71 V72 R77 G78 Q79	C71-E75 PolarHBondContact O-N 3.33Å; V72-E75 PolarHBondContact O-N 3Å; E75-R77 VanDerWaalsContact C-N 3.27Å; E75-R77 PolarHBondContact O-N 3Å; E75-G78 PolarHBondContact O-N 3.33Å; E75-Q79 PolarHBondContact O-N 3.49Å
76	I	88.5	Confident	90.2	Very high	65 Å²	65	101.7 Å²	101.7	33%	0.333	50%	0.504	S	S	.	.	H	α-helix	trans	-58.6	-42.3	177.9	-67.4	175.2	0	0	0	110.4	V72 G78 Q79 I80 L209	V72-I76 HydrophobicContact CG1-CD1 3.65Å; V72-I76 HydrophobicContact CG1-CG1 4.22Å; V72-I76 WeakPolarHBondContact O-CB 3.31Å; V72-I76 WeakPolarHBondContact O-CG1 3.47Å; V72-I76 PolarHBondContact O-N 2.88Å; I76-G78 VanDerWaalsContact C-N 3.35Å; I76-G78 PolarHBondContact O-N 3.14Å; I76-Q79 PolarHBondContact O-N 3.18Å; I76-I80 HydrophobicContact CG2-CD1 3.88Å; I76-I80 HydrophobicContact CG2-CG1 4.44Å; I76-I80 VanDerWaalsContact O-CG1 3.31Å; I76-I80 WeakPolarHBondContact O-CG1 3.41Å; I76-I80 PolarHBondContact O-N 2.88Å; I76-L209 HydrophobicContact CG2-CD2 3.79Å
77	R	92.3	Very high	90.2	Very high	152 Å²	152	100.9 Å²	100.9	57%	0.574	49%	0.493	S	S	*	.	H	α-helix	trans	-60.1	-44.4	175.7	-177.6	174.4	-176.1	151.7	4.8	112	R73 E75 Q79 I80 D81	R73-R77 WeakPolarHBondContact O-CB 3.35Å; R73-R77 PolarHBondContact O-N 3.42Å; E75-R77 VanDerWaalsContact C-N 3.27Å; E75-R77 PolarHBondContact O-N 3Å; R77-Q79 VanDerWaalsContact C-N 3.34Å; R77-Q79 PolarHBondContact O-N 3.45Å; R77-I80 PolarHBondContact O-N 3.48Å; R77-D81 IonicContact NE-OD2 3.49Å; R77-D81 VanDerWaalsContact O-CG 3.32Å; R77-D81 PolarHBondContact O-N 3.48Å
78	G	91.4	Very high	90.2	Very high	38 Å²	38	99.6 Å²	99.6	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-41.8	177	0	0	0	0	0	112.8	K74 E75 I76 D81 Q82	K74-G78 PolarHBondContact O-N 3.43Å; E75-G78 PolarHBondContact O-N 3.33Å; I76-G78 VanDerWaalsContact C-N 3.35Å; I76-G78 PolarHBondContact O-N 3.14Å; G78-D81 PolarHBondContact O-N 2.81Å; G78-Q82 WeakPolarHBondContact O-CB 3.43Å; G78-Q82 PolarHBondContact O-N 3.33Å
79	Q	90.1	Very high	90.5	Very high	111 Å²	111	101.2 Å²	101.2	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.7	-66.8	178.7	6.9	0	0	112	E75 I76 R77 Q82 S83	E75-Q79 PolarHBondContact O-N 3.49Å; I76-Q79 PolarHBondContact O-N 3.18Å; R77-Q79 VanDerWaalsContact C-N 3.34Å; R77-Q79 PolarHBondContact O-N 3.45Å; Q79-Q82 PolarHBondContact O-N 3.02Å; Q79-S83 WeakPolarHBondContact O-CB 3.45Å; Q79-S83 PolarHBondContact O-N 3.4Å; Q79-S83 PolarHBondContact O-OG 2.99Å
80	I	88.7	Confident	90.6	Very high	73 Å²	73	99 Å²	99	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-53	174.1	-68.4	167.7	0	0	0	109.7	I76 R77 Q82 S83 M84	I76-I80 HydrophobicContact CG2-CD1 3.88Å; I76-I80 HydrophobicContact CG2-CG1 4.44Å; I76-I80 VanDerWaalsContact O-CG1 3.31Å; I76-I80 WeakPolarHBondContact O-CG1 3.41Å; I76-I80 PolarHBondContact O-N 2.88Å; R77-I80 PolarHBondContact O-N 3.48Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.32Å; I80-S83 PolarHBondContact O-N 2.91Å; I80-S83 PolarHBondContact O-OG 3.4Å; I80-M84 HydrophobicContact CG2-CG 4.28Å; I80-M84 VanDerWaalsContact O-CG 3.29Å; I80-M84 WeakPolarHBondContact O-CG 3.49Å; I80-M84 PolarHBondContact O-N 3.48Å
81	D	93.3	Very high	90.5	Very high	75 Å²	75	99.5 Å²	99.5	40%	0.401	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-42.8	-177.5	-70.3	-25.3	0	0	0	111.7	R77 G78 M84 Q85	R77-D81 IonicContact NE-OD2 3.49Å; R77-D81 VanDerWaalsContact O-CG 3.32Å; R77-D81 PolarHBondContact O-N 3.48Å; G78-D81 PolarHBondContact O-N 2.81Å; D81-M84 PolarHBondContact O-N 2.67Å; D81-Q85 VanDerWaalsContact O-CG 3.3Å; D81-Q85 WeakPolarHBondContact O-CG 3.3Å; D81-Q85 PolarHBondContact O-N 2.61Å
82	Q	93	Very high	90.7	Very high	120 Å²	120	98.7 Å²	98.7	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-63.4	-44.4	176.7	-171.4	-178.2	5	0	0	112	G78 Q79 I80 M84 Q85 M86	G78-Q82 WeakPolarHBondContact O-CB 3.43Å; G78-Q82 PolarHBondContact O-N 3.33Å; Q79-Q82 PolarHBondContact O-N 3.02Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.32Å; Q82-M84 PolarHBondContact O-N 2.97Å; Q82-Q85 PolarHBondContact O-N 2.9Å; Q82-M86 HydrophobicContact CG-CE 4.24Å; Q82-M86 WeakPolarHBondContact O-CG 3.32Å; Q82-M86 PolarHBondContact O-N 3.5Å; Q82-M86 VanDerWaalsContact O-N 3.13Å
83	S	88.4	Confident	91	Very high	38 Å²	38	101.8 Å²	101.8	27%	0.266	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-41.7	178.2	71.8	0	0	0	0	112.1	Q79 I80 M86 I87	Q79-S83 WeakPolarHBondContact O-CB 3.45Å; Q79-S83 PolarHBondContact O-N 3.4Å; Q79-S83 PolarHBondContact O-OG 2.99Å; I80-S83 PolarHBondContact O-N 2.91Å; I80-S83 PolarHBondContact O-OG 3.4Å; S83-M86 PolarHBondContact O-N 3.16Å; S83-I87 WeakPolarHBondContact O-CG1 3.48Å; S83-I87 PolarHBondContact O-N 3Å; S83-I87 VanDerWaalsContact O-N 3.14Å
84	M	90.8	Very high	91.2	Very high	81 Å²	81	99.7 Å²	99.7	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-68	-38.7	179.2	-65.8	-61.3	144.9	0	0	111.9	I80 D81 Q82 I87 Q88 V206	I80-M84 HydrophobicContact CG2-CG 4.28Å; I80-M84 VanDerWaalsContact O-CG 3.29Å; I80-M84 WeakPolarHBondContact O-CG 3.49Å; I80-M84 PolarHBondContact O-N 3.48Å; D81-M84 PolarHBondContact O-N 2.67Å; Q82-M84 PolarHBondContact O-N 2.97Å; M84-I87 PolarHBondContact O-N 3.37Å; M84-Q88 WeakPolarHBondContact O-CB 3.43Å; M84-Q88 PolarHBondContact O-N 2.96Å; M84-V206 HydrophobicContact CE-CB 4.45Å; M84-V206 HydrophobicContact CE-CG1 3.61Å
85	Q	92.9	Very high	91.2	Very high	129 Å²	129	96.6 Å²	96.6	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-63.1	-41.4	174.8	-74.7	175.3	20.7	0	0	112.5	D81 Q82 Q88 R89	D81-Q85 VanDerWaalsContact O-CG 3.3Å; D81-Q85 WeakPolarHBondContact O-CG 3.3Å; D81-Q85 PolarHBondContact O-N 2.61Å; Q82-Q85 PolarHBondContact O-N 2.9Å; Q85-Q88 PolarHBondContact O-N 3.35Å; Q85-R89 WeakPolarHBondContact O-CB 3.48Å; Q85-R89 PolarHBondContact O-N 3.43Å
86	M	90	Very high	91.4	Very high	111 Å²	111	95.4 Å²	95.4	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-41.1	176.8	-72.4	-172.7	-68.9	0	0	112.2	Q82 S83 S90	Q82-M86 HydrophobicContact CG-CE 4.24Å; Q82-M86 WeakPolarHBondContact O-CG 3.32Å; Q82-M86 PolarHBondContact O-N 3.5Å; Q82-M86 VanDerWaalsContact O-N 3.13Å; S83-M86 PolarHBondContact O-N 3.16Å; M86-S90 PolarHBondContact O-N 2.8Å; M86-S90 VanDerWaalsContact O-N 3.11Å; M86-S90 PolarHBondContact O-OG 3.35Å
87	I	89.3	Confident	91.7	Very high	57 Å²	57	97.8 Å²	97.8	29%	0.292	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-48.4	176.3	-67.1	166.2	0	0	0	110.3	S83 M84 R89 S90 V91 V206	S83-I87 WeakPolarHBondContact O-CG1 3.48Å; S83-I87 PolarHBondContact O-N 3Å; S83-I87 VanDerWaalsContact O-N 3.14Å; M84-I87 PolarHBondContact O-N 3.37Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.48Å; I87-S90 PolarHBondContact O-N 3.13Å; I87-V91 HydrophobicContact CG2-CG2 4.39Å; I87-V91 WeakPolarHBondContact O-CG2 3.25Å; I87-V91 PolarHBondContact O-N 2.81Å; I87-V206 HydrophobicContact CD1-CB 4.46Å; I87-V206 HydrophobicContact CD1-CG1 3.64Å; I87-V206 HydrophobicContact CD1-CG2 4.11Å
88	Q	90.6	Very high	91.7	Very high	135 Å²	135	93.1 Å²	93.1	63%	0.631	46%	0.464	S	S	*	.	H	α-helix	trans	-57.8	-45.2	179.5	-175.8	179.1	-4.6	0	0	111.6	M84 Q85 S90 V91 S92	M84-Q88 WeakPolarHBondContact O-CB 3.43Å; M84-Q88 PolarHBondContact O-N 2.96Å; Q85-Q88 PolarHBondContact O-N 3.35Å; Q88-S90 PolarHBondContact O-N 3.4Å; Q88-V91 PolarHBondContact O-N 2.68Å; Q88-S92 PolarHBondContact O-N 3.21Å; Q88-S92 PolarHBondContact O-OG 3.03Å
89	R	93.4	Very high	91.8	Very high	168 Å²	168	95 Å²	95	63%	0.634	47%	0.465	S	S	*	.	H	α-helix	trans	-59.1	-47.6	176.8	-179.7	178.2	174.1	172.1	1.4	112	Q85 I87 V91 S92 E93	Q85-R89 WeakPolarHBondContact O-CB 3.48Å; Q85-R89 PolarHBondContact O-N 3.43Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.48Å; R89-V91 VanDerWaalsContact C-N 3.3Å; R89-V91 PolarHBondContact O-N 2.84Å; R89-S92 PolarHBondContact O-N 2.96Å; R89-E93 HydrophobicContact CG-CG 4.46Å; R89-E93 WeakPolarHBondContact CG-OE1 3.37Å; R89-E93 IonicContact CZ-OE1 3.94Å; R89-E93 IonicContact NE-OE1 2.75Å; R89-E93 PolarHBondContact NE-OE1 3.12Å; R89-E93 IonicContact NH2-OE1 3.2Å; R89-E93 PolarHBondContact NH2-OE1 3.06Å; R89-E93 WeakPolarHBondContact O-CG 3.48Å; R89-E93 PolarHBondContact O-N 2.98Å
90	S	89.4	Confident	92.1	Very high	70 Å²	70	94.6 Å²	94.6	49%	0.49	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-38.5	-179.3	-55.1	0	0	0	0	111.9	M86 I87 Q88 R94	M86-S90 PolarHBondContact O-N 2.8Å; M86-S90 VanDerWaalsContact O-N 3.11Å; M86-S90 PolarHBondContact O-OG 3.35Å; I87-S90 PolarHBondContact O-N 3.13Å; Q88-S90 PolarHBondContact O-N 3.4Å; S90-R94 WeakPolarHBondContact O-CB 3.28Å; S90-R94 PolarHBondContact O-N 3.41Å; S90-R94 VanDerWaalsContact O-N 3.11Å
91	V	89.9	Confident	92.2	Very high	93 Å²	93	95.2 Å²	95.2	56%	0.564	47%	0.467	S	S	*	.	H	α-helix	trans	-67.7	-42.1	175.7	173.5	0	0	0	0	111.3	I87 Q88 R89 R94 H95	I87-V91 HydrophobicContact CG2-CG2 4.39Å; I87-V91 WeakPolarHBondContact O-CG2 3.25Å; I87-V91 PolarHBondContact O-N 2.81Å; Q88-V91 PolarHBondContact O-N 2.68Å; R89-V91 VanDerWaalsContact C-N 3.3Å; R89-V91 PolarHBondContact O-N 2.84Å; V91-R94 PolarHBondContact O-N 3.21Å; V91-H95 WeakPolarHBondContact O-CB 3.38Å; V91-H95 PolarHBondContact O-N 3.16Å
92	S	93.4	Very high	92.1	Very high	56 Å²	56	95.2 Å²	95.2	39%	0.392	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-44.8	176.1	-64.1	0	0	0	0	112.5	Q88 R89 R94 H95 D96	Q88-S92 PolarHBondContact O-N 3.21Å; Q88-S92 PolarHBondContact O-OG 3.03Å; R89-S92 PolarHBondContact O-N 2.96Å; S92-R94 VanDerWaalsContact C-N 3.28Å; S92-R94 PolarHBondContact O-N 3.08Å; S92-H95 WeakPolarHBondContact O-CB 3.31Å; S92-H95 PolarHBondContact O-N 3.36Å; S92-H95 VanDerWaalsContact O-N 3.14Å; S92-D96 PolarHBondContact O-N 2.89Å
93	E	94.3	Very high	92.2	Very high	105 Å²	105	94.1 Å²	94.1	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-39.4	176.3	-72.6	173.5	-176.9	0	0	111.3	R89 Y97	R89-E93 HydrophobicContact CG-CG 4.46Å; R89-E93 WeakPolarHBondContact CG-OE1 3.37Å; R89-E93 IonicContact CZ-OE1 3.94Å; R89-E93 IonicContact NE-OE1 2.75Å; R89-E93 PolarHBondContact NE-OE1 3.12Å; R89-E93 IonicContact NH2-OE1 3.2Å; R89-E93 PolarHBondContact NH2-OE1 3.06Å; R89-E93 WeakPolarHBondContact O-CG 3.48Å; R89-E93 PolarHBondContact O-N 2.98Å; E93-Y97 WeakPolarHBondContact O-CB 3.2Å; E93-Y97 PolarHBondContact O-N 3.47Å; E93-Y97 VanDerWaalsContact O-N 3.12Å
94	R	91.7	Very high	92.4	Very high	137 Å²	137	96.4 Å²	96.4	52%	0.517	48%	0.478	S	S	.	.	H	α-helix	trans	-66.5	-39.3	174.9	-177.7	57.5	176.6	163.7	1	112.5	S90 V91 S92 L98	S90-R94 WeakPolarHBondContact O-CB 3.28Å; S90-R94 PolarHBondContact O-N 3.41Å; S90-R94 VanDerWaalsContact O-N 3.11Å; V91-R94 PolarHBondContact O-N 3.21Å; S92-R94 VanDerWaalsContact C-N 3.28Å; S92-R94 PolarHBondContact O-N 3.08Å; R94-L98 HydrophobicContact CG-CD1 4.28Å; R94-L98 WeakPolarHBondContact O-CG 3.38Å; R94-L98 PolarHBondContact O-N 3.24Å
95	H	92.8	Very high	92.2	Very high	103 Å²	103	95.3 Å²	95.3	48%	0.477	48%	0.477	S	S	.	.	H	α-helix	trans	-59.7	-50.3	176.1	166.5	-89.8	0	0	0	111.3	V91 S92 Y97 L98 L99	V91-H95 WeakPolarHBondContact O-CB 3.38Å; V91-H95 PolarHBondContact O-N 3.16Å; S92-H95 WeakPolarHBondContact O-CB 3.31Å; S92-H95 PolarHBondContact O-N 3.36Å; S92-H95 VanDerWaalsContact O-N 3.14Å; H95-Y97 VanDerWaalsContact C-N 3.33Å; H95-Y97 PolarHBondContact O-N 3Å; H95-L98 PolarHBondContact O-N 3.46Å; H95-L99 WeakPolarHBondContact CE1-CD1 3.33Å; H95-L99 PolarHBondContact O-N 2.97Å
96	D	95.5	Very high	92	Very high	87 Å²	87	92.4 Å²	92.4	47%	0.465	47%	0.466	S	S	.	.	H	α-helix	trans	-66.4	-37.4	-177.4	-64.7	-13.6	0	0	0	111.9	S92 L98 L99 N100	S92-D96 PolarHBondContact O-N 2.89Å; D96-L98 PolarHBondContact O-N 2.98Å; D96-L99 PolarHBondContact O-N 3.36Å; D96-N100 PolarHBondContact O-N 3.33Å; D96-N100 VanDerWaalsContact O-N 3.15Å; D96-N100 PolarHBondContact O-ND2 3.3Å; D96-N100 VanDerWaalsContact O-ND2 3.14Å
97	Y	94.7	Very high	92.2	Very high	115 Å²	115	90.6 Å²	90.6	45%	0.451	46%	0.464	S	S	.	.	H	α-helix	trans	-57.7	-46.1	172.3	174.3	-90.9	0	0	0	112.3	E93 H95 L99 N100 E101	E93-Y97 WeakPolarHBondContact O-CB 3.2Å; E93-Y97 PolarHBondContact O-N 3.47Å; E93-Y97 VanDerWaalsContact O-N 3.12Å; H95-Y97 VanDerWaalsContact C-N 3.33Å; H95-Y97 PolarHBondContact O-N 3Å; Y97-L99 PolarHBondContact O-N 2.83Å; Y97-N100 PolarHBondContact O-N 2.7Å; Y97-E101 HydrophobicContact CD1-CG 4.23Å; Y97-E101 HydrophobicContact CE1-CG 3.64Å; Y97-E101 HydrophobicContact CE2-CG 4.14Å; Y97-E101 PolarHBondContact O-N 3.22Å; Y97-E101 PolarHBondContact OH-OE1 3.09Å
98	L	91.5	Very high	92.1	Very high	53 Å²	53	92.3 Å²	92.3	28%	0.277	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-35.7	-177.8	-72.7	168.6	0	0	0	112.8	R94 H95 D96 L102 F191	R94-L98 HydrophobicContact CG-CD1 4.28Å; R94-L98 WeakPolarHBondContact O-CG 3.38Å; R94-L98 PolarHBondContact O-N 3.24Å; H95-L98 PolarHBondContact O-N 3.46Å; D96-L98 PolarHBondContact O-N 2.98Å; L98-L102 PolarHBondContact O-N 2.84Å; L98-L102 VanDerWaalsContact O-N 3.08Å; L98-F191 HydrophobicContact CD1-CE2 3.76Å; L98-F191 HydrophobicContact CD1-CZ 4.12Å; L98-F191 HydrophobicContact CD2-CE2 4.3Å
99	L	94.7	Very high	91.9	Very high	79 Å²	79	89.5 Å²	89.5	41%	0.414	46%	0.46	S	S	.	.	H	α-helix	trans	-65.9	-44.1	175	-69.7	179.3	0	0	0	111.5	H95 D96 Y97 E101 L102 D103	H95-L99 WeakPolarHBondContact CE1-CD1 3.33Å; H95-L99 PolarHBondContact O-N 2.97Å; D96-L99 PolarHBondContact O-N 3.36Å; Y97-L99 PolarHBondContact O-N 2.83Å; L99-E101 PolarHBondContact O-N 2.86Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.2Å; L99-D103 PolarHBondContact O-N 2.91Å
100	N	95.2	Very high	91.8	Very high	102 Å²	102	85.8 Å²	85.8	55%	0.545	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-40	177.6	-71.7	-35.6	0	0	0	112.7	D96 Y97 D103 T104	D96-N100 PolarHBondContact O-N 3.33Å; D96-N100 VanDerWaalsContact O-N 3.15Å; D96-N100 PolarHBondContact O-ND2 3.3Å; D96-N100 VanDerWaalsContact O-ND2 3.14Å; Y97-N100 PolarHBondContact O-N 2.7Å; N100-D103 PolarHBondContact O-N 3.03Å; N100-T104 WeakPolarHBondContact O-CB 3.45Å; N100-T104 PolarHBondContact O-N 2.76Å; N100-T104 PolarHBondContact O-OG1 3.41Å
101	E	91.7	Very high	91.9	Very high	86 Å²	86	87.2 Å²	87.2	40%	0.402	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-42.9	173.6	-77.5	-75.6	156.6	0	0	111.7	Y97 L99 T104 C105	Y97-E101 HydrophobicContact CD1-CG 4.23Å; Y97-E101 HydrophobicContact CE1-CG 3.64Å; Y97-E101 HydrophobicContact CE2-CG 4.14Å; Y97-E101 PolarHBondContact O-N 3.22Å; Y97-E101 PolarHBondContact OH-OE1 3.09Å; L99-E101 PolarHBondContact O-N 2.86Å; E101-T104 PolarHBondContact O-N 3.42Å; E101-C105 WeakPolarHBondContact O-CB 3.48Å; E101-C105 PolarHBondContact O-N 3.02Å; E101-C105 PolarHBondContact O-SG 2.85Å
102	L	91.2	Very high	91.8	Very high	75 Å²	75	85 Å²	85	39%	0.393	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-49.2	176.7	175.2	62.8	0	0	0	111.4	L98 L99 T104 C105 L106 M189	L98-L102 PolarHBondContact O-N 2.84Å; L98-L102 VanDerWaalsContact O-N 3.08Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.2Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-T104 PolarHBondContact O-N 3.04Å; L102-C105 PolarHBondContact O-N 2.91Å; L102-L106 HydrophobicContact CD1-CD1 4.02Å; L102-L106 HydrophobicContact CD1-CG 4.1Å; L102-L106 HydrophobicContact CG-CD1 4.05Å; L102-L106 HydrophobicContact CG-CG 4.48Å; L102-L106 WeakPolarHBondContact O-CG 3.19Å; L102-L106 PolarHBondContact O-N 3.3Å; L102-M189 HydrophobicContact CD1-CE 3.77Å
103	D	94.7	Very high	91.5	Very high	96 Å²	96	85.4 Å²	85.4	51%	0.513	44%	0.44	S	S	.	.	H	α-helix	trans	-61.6	-40.1	-180	-74	-23.9	0	0	0	111.5	L99 N100 L106 S107	L99-D103 PolarHBondContact O-N 2.91Å; N100-D103 PolarHBondContact O-N 3.03Å; D103-L106 PolarHBondContact O-N 2.9Å; D103-S107 VanDerWaalsContact O-CB 3.31Å; D103-S107 WeakPolarHBondContact O-CB 3.46Å; D103-S107 PolarHBondContact O-N 3.48Å
104	T	92.6	Very high	91.5	Very high	87 Å²	87	85.2 Å²	85.2	53%	0.534	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-46.5	175.6	-55.7	0	0	0	0	111.3	N100 E101 L102 L106 S107 V108	N100-T104 WeakPolarHBondContact O-CB 3.45Å; N100-T104 PolarHBondContact O-N 2.76Å; N100-T104 PolarHBondContact O-OG1 3.41Å; E101-T104 PolarHBondContact O-N 3.42Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-T104 PolarHBondContact O-N 3.04Å; T104-L106 PolarHBondContact O-N 2.78Å; T104-S107 PolarHBondContact O-N 2.74Å; T104-V108 WeakPolarHBondContact O-CG2 3.13Å; T104-V108 PolarHBondContact O-N 2.87Å; T104-V108 VanDerWaalsContact O-N 3.14Å
105	C	87.2	Confident	91.5	Very high	58 Å²	58	84.6 Å²	84.6	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-42	177.7	-71.4	0	0	0	0	112.4	E101 L102 R109 M189	E101-C105 WeakPolarHBondContact O-CB 3.48Å; E101-C105 PolarHBondContact O-N 3.02Å; E101-C105 PolarHBondContact O-SG 2.85Å; L102-C105 PolarHBondContact O-N 2.91Å; C105-R109 PolarHBondContact O-N 2.81Å; C105-M189 HydrophobicContact CB-CE 3.78Å
106	L	89.4	Confident	91.3	Very high	68 Å²	68	81.5 Å²	81.5	36%	0.356	43%	0.431	S	S	.	.	H	α-helix	trans	-67.4	-39.7	177.4	-70.6	177.6	0	0	0	111.8	L102 D103 T104 R109 N110	L102-L106 HydrophobicContact CD1-CD1 4.02Å; L102-L106 HydrophobicContact CD1-CG 4.1Å; L102-L106 HydrophobicContact CG-CD1 4.05Å; L102-L106 HydrophobicContact CG-CG 4.48Å; L102-L106 WeakPolarHBondContact O-CG 3.19Å; L102-L106 PolarHBondContact O-N 3.3Å; D103-L106 PolarHBondContact O-N 2.9Å; T104-L106 PolarHBondContact O-N 2.78Å; L106-R109 PolarHBondContact O-N 3.21Å; L106-N110 WeakPolarHBondContact O-CB 3.36Å; L106-N110 VanDerWaalsContact O-CG 3.31Å; L106-N110 PolarHBondContact O-N 2.93Å; L106-N110 PolarHBondContact O-ND2 3.09Å
107	S	92.3	Very high	91.2	Very high	73 Å²	73	82.7 Å²	82.7	51%	0.51	43%	0.433	S	S	.	.	H	α-helix	trans	-58.6	-49.8	176.8	-175.2	0	0	0	0	111.9	D103 T104 R109 N110 E111	D103-S107 VanDerWaalsContact O-CB 3.31Å; D103-S107 WeakPolarHBondContact O-CB 3.46Å; D103-S107 PolarHBondContact O-N 3.48Å; T104-S107 PolarHBondContact O-N 2.74Å; S107-R109 VanDerWaalsContact C-N 3.33Å; S107-R109 PolarHBondContact O-N 3.08Å; S107-N110 PolarHBondContact O-N 2.88Å; S107-E111 PolarHBondContact O-N 3.47Å
108	V	88.6	Confident	91.2	Very high	92 Å²	92	81 Å²	81	56%	0.558	44%	0.435	S	S	*	.	H	α-helix	trans	-60.8	-41.9	177.9	173.9	0	0	0	0	111.6	T104 E111 A112	T104-V108 WeakPolarHBondContact O-CG2 3.13Å; T104-V108 PolarHBondContact O-N 2.87Å; T104-V108 VanDerWaalsContact O-N 3.14Å; V108-E111 PolarHBondContact O-N 3.23Å; V108-A112 PolarHBondContact O-N 3.5Å; V108-A112 VanDerWaalsContact O-N 3.1Å
109	R	86.4	Confident	91.1	Very high	76 Å²	76	83.9 Å²	83.9	29%	0.287	45%	0.447	S	S	.	.	H	α-helix	trans	-67.1	-42.6	179.1	-166.5	172.7	-169.6	160.6	-2	111.7	C105 L106 S107 E111 A112 I113 T186 T188	C105-R109 PolarHBondContact O-N 2.81Å; L106-R109 PolarHBondContact O-N 3.21Å; S107-R109 VanDerWaalsContact C-N 3.33Å; S107-R109 PolarHBondContact O-N 3.08Å; R109-E111 VanDerWaalsContact C-N 3.33Å; R109-E111 PolarHBondContact O-N 2.54Å; R109-A112 PolarHBondContact O-N 3.05Å; R109-I113 HydrophobicContact CG-CD1 4.16Å; R109-I113 VanDerWaalsContact O-CG1 3.31Å; R109-I113 WeakPolarHBondContact O-CG1 3.5Å; R109-I113 PolarHBondContact O-N 2.89Å; R109-T186 PolarHBondContact NH2-O 2.93Å; R109-T188 PolarHBondContact NH1-OG1 3.13Å
110	N	90.5	Very high	91	Very high	91 Å²	91	83.6 Å²	83.6	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-40.4	175.9	-77.3	-24	0	0	0	111.5	L106 S107 A112 I113 N114	L106-N110 WeakPolarHBondContact O-CB 3.36Å; L106-N110 VanDerWaalsContact O-CG 3.31Å; L106-N110 PolarHBondContact O-N 2.93Å; L106-N110 PolarHBondContact O-ND2 3.09Å; S107-N110 PolarHBondContact O-N 2.88Å; N110-A112 PolarHBondContact O-N 3.13Å; N110-I113 PolarHBondContact O-N 2.62Å; N110-N114 WeakPolarHBondContact O-CB 3.36Å; N110-N114 PolarHBondContact O-N 2.67Å; N110-N114 PolarHBondContact O-ND2 2.85Å
111	E	91.9	Very high	91	Very high	99 Å²	99	82.9 Å²	82.9	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-61	-43.9	175.4	-165.3	-170	157.9	0	0	111.7	S107 V108 R109 N114 K115	S107-E111 PolarHBondContact O-N 3.47Å; V108-E111 PolarHBondContact O-N 3.23Å; R109-E111 VanDerWaalsContact C-N 3.33Å; R109-E111 PolarHBondContact O-N 2.54Å; E111-N114 PolarHBondContact O-N 2.67Å; E111-K115 WeakPolarHBondContact O-CG 3.45Å; E111-K115 PolarHBondContact O-N 3.08Å; E111-K115 WeakPolarHBondContact OE1-CE 3.38Å; E111-K115 IonicContact OE1-NZ 3.18Å; E111-K115 PolarHBondContact OE1-NZ 2.65Å
112	A	87	Confident	91.1	Very high	46 Å²	46	82.4 Å²	82.4	38%	0.38	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-41.8	177	0	0	0	0	0	112.7	V108 R109 N110 K115 L116	V108-A112 PolarHBondContact O-N 3.5Å; V108-A112 VanDerWaalsContact O-N 3.1Å; R109-A112 PolarHBondContact O-N 3.05Å; N110-A112 PolarHBondContact O-N 3.13Å; A112-K115 PolarHBondContact O-N 3.08Å; A112-L116 PolarHBondContact O-N 2.89Å; A112-L116 VanDerWaalsContact O-N 3.09Å
113	I	88.7	Confident	91.1	Very high	66 Å²	66	81.1 Å²	81.1	34%	0.338	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-46.3	175.2	-69.8	166.4	0	0	0	110.2	R109 N110 K115 L116 H117 P183	R109-I113 HydrophobicContact CG-CD1 4.16Å; R109-I113 VanDerWaalsContact O-CG1 3.31Å; R109-I113 WeakPolarHBondContact O-CG1 3.5Å; R109-I113 PolarHBondContact O-N 2.89Å; N110-I113 PolarHBondContact O-N 2.62Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 3.14Å; I113-L116 PolarHBondContact O-N 2.71Å; I113-H117 WeakPolarHBondContact O-CB 3.24Å; I113-H117 PolarHBondContact O-N 3.1Å; I113-P183 HydrophobicContact CG1-CG 3.74Å
114	N	92.9	Very high	91.1	Very high	101 Å²	101	82.5 Å²	82.5	54%	0.54	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-40.7	179.4	-71.5	-23.4	0	0	0	111.8	N110 E111 H117 T118	N110-N114 WeakPolarHBondContact O-CB 3.36Å; N110-N114 PolarHBondContact O-N 2.67Å; N110-N114 PolarHBondContact O-ND2 2.85Å; E111-N114 PolarHBondContact O-N 2.67Å; N114-H117 PolarHBondContact O-N 2.98Å; N114-T118 WeakPolarHBondContact O-CG2 3.26Å; N114-T118 PolarHBondContact O-N 3.18Å; N114-T118 PolarHBondContact O-OG1 3.22Å
115	K	91.5	Very high	91.3	Very high	123 Å²	123	83.9 Å²	83.9	54%	0.535	44%	0.436	S	S	.	.	H	α-helix	trans	-59.3	-48.6	174.6	-75.5	174.4	-175.7	168.4	0	111.4	E111 A112 I113 T118 E119	E111-K115 WeakPolarHBondContact O-CG 3.45Å; E111-K115 PolarHBondContact O-N 3.08Å; E111-K115 WeakPolarHBondContact OE1-CE 3.38Å; E111-K115 IonicContact OE1-NZ 3.18Å; E111-K115 PolarHBondContact OE1-NZ 2.65Å; A112-K115 PolarHBondContact O-N 3.08Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 3.14Å; K115-T118 PolarHBondContact O-N 3.37Å; K115-T118 PolarHBondContact O-OG1 2.8Å; K115-E119 PolarHBondContact O-N 2.76Å
116	L	89.8	Confident	91.6	Very high	39 Å²	39	86.9 Å²	86.9	20%	0.204	44%	0.439	C	S	.	.	H	α-helix	trans	-66.8	-37.9	178.1	-79.1	166.5	0	0	0	113.1	A112 I113 T118 E119 F120 P180 H182 P183	A112-L116 PolarHBondContact O-N 2.89Å; A112-L116 VanDerWaalsContact O-N 3.09Å; I113-L116 PolarHBondContact O-N 2.71Å; L116-T118 PolarHBondContact O-N 3.09Å; L116-E119 PolarHBondContact O-N 2.81Å; L116-F120 HydrophobicContact CD2-CZ 4.43Å; L116-F120 WeakPolarHBondContact O-CG 3.4Å; L116-F120 PolarHBondContact O-N 3.43Å; L116-P180 HydrophobicContact CD2-CG 3.97Å; L116-H182 WeakPolarHBondContact CD1-O 3.25Å; L116-P183 HydrophobicContact CD1-CG 4.2Å
117	H	92.2	Very high	91.8	Very high	112 Å²	112	86.1 Å²	86.1	52%	0.519	44%	0.435	S	S	.	.	H	α-helix	trans	-57.9	-49.2	174.1	-176.4	-75.3	0	0	0	110.9	I113 N114 E119 F120 E121	I113-H117 WeakPolarHBondContact O-CB 3.24Å; I113-H117 PolarHBondContact O-N 3.1Å; N114-H117 PolarHBondContact O-N 2.98Å; H117-E119 PolarHBondContact O-N 2.79Å; H117-F120 PolarHBondContact O-N 2.81Å; H117-E121 IonicContact CE1-OE2 2.67Å; H117-E121 PolarHBondContact CE1-OE2 3.33Å; H117-E121 IonicContact ND1-OE2 3.62Å; H117-E121 PolarHBondContact ND1-OE2 2.93Å; H117-E121 VanDerWaalsContact O-CB 3.26Å; H117-E121 WeakPolarHBondContact O-CB 3.49Å; H117-E121 PolarHBondContact O-N 3.19Å
118	T	94.6	Very high	91.9	Very high	80 Å²	80	85.7 Å²	85.7	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-64.6	-37.3	179.3	60.1	0	0	0	0	112.6	N114 K115 L116 T122	N114-T118 WeakPolarHBondContact O-CG2 3.26Å; N114-T118 PolarHBondContact O-N 3.18Å; N114-T118 PolarHBondContact O-OG1 3.22Å; K115-T118 PolarHBondContact O-N 3.37Å; K115-T118 PolarHBondContact O-OG1 2.8Å; L116-T118 PolarHBondContact O-N 3.09Å; T118-T122 WeakPolarHBondContact O-CB 3.46Å; T118-T122 VanDerWaalsContact O-CG2 3.24Å; T118-T122 WeakPolarHBondContact O-CG2 3.46Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 2.86Å
119	E	90.8	Very high	92.2	Very high	113 Å²	113	83.8 Å²	83.8	53%	0.528	42%	0.423	S	S	.	.	H	α-helix	trans	-64.5	-44.5	174.8	-171.7	179.6	173.5	0	0	112.2	K115 L116 H117 T122 R123	K115-E119 PolarHBondContact O-N 2.76Å; L116-E119 PolarHBondContact O-N 2.81Å; H117-E119 PolarHBondContact O-N 2.79Å; E119-T122 PolarHBondContact O-OG1 3.33Å; E119-R123 WeakPolarHBondContact O-CB 3.16Å; E119-R123 PolarHBondContact O-N 3.44Å
120	F	91.7	Very high	92.6	Very high	73 Å²	73	81.8 Å²	81.8	32%	0.32	42%	0.417	S	S	.	.	H	α-helix	trans	-69.2	-40.5	177.6	-68.8	-23.2	0	0	0	112.9	L116 H117 R123 L124 V179 P180	L116-F120 HydrophobicContact CD2-CZ 4.43Å; L116-F120 WeakPolarHBondContact O-CG 3.4Å; L116-F120 PolarHBondContact O-N 3.43Å; H117-F120 PolarHBondContact O-N 2.81Å; F120-R123 PolarHBondContact O-N 2.77Å; F120-L124 VanDerWaalsContact O-CB 3.28Å; F120-L124 WeakPolarHBondContact O-CB 3.36Å; F120-L124 PolarHBondContact O-N 2.99Å; F120-V179 HydrophobicContact CE1-CG1 4.19Å; F120-V179 HydrophobicContact CZ-CG1 3.84Å; F120-P180 HydrophobicContact CE1-CG 4.23Å; F120-P180 HydrophobicContact CZ-CG 3.8Å
121	E	95.1	Very high	92.7	Very high	87 Å²	87	79.7 Å²	79.7	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-63.1	-44.1	178	-172.7	172.7	-172.6	0	0	111.3	H117 L124 Q125	H117-E121 IonicContact CE1-OE2 2.67Å; H117-E121 PolarHBondContact CE1-OE2 3.33Å; H117-E121 IonicContact ND1-OE2 3.62Å; H117-E121 PolarHBondContact ND1-OE2 2.93Å; H117-E121 VanDerWaalsContact O-CB 3.26Å; H117-E121 WeakPolarHBondContact O-CB 3.49Å; H117-E121 PolarHBondContact O-N 3.19Å; E121-L124 PolarHBondContact O-N 3.35Å; E121-Q125 VanDerWaalsContact O-CG 3.31Å; E121-Q125 WeakPolarHBondContact O-CG 3.5Å; E121-Q125 PolarHBondContact O-N 3.42Å
122	T	94	Very high	92.8	Very high	76 Å²	76	78.1 Å²	78.1	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-40.3	175.7	54.2	0	0	0	0	112.4	T118 E119 R126	T118-T122 WeakPolarHBondContact O-CB 3.46Å; T118-T122 VanDerWaalsContact O-CG2 3.24Å; T118-T122 WeakPolarHBondContact O-CG2 3.46Å; T118-T122 PolarHBondContact O-N 3.49Å; T118-T122 PolarHBondContact O-OG1 2.86Å; E119-T122 PolarHBondContact O-OG1 3.33Å; T122-R126 WeakPolarHBondContact O-CB 3.45Å; T122-R126 VanDerWaalsContact O-CG 3.3Å; T122-R126 WeakPolarHBondContact O-CG 3.38Å; T122-R126 PolarHBondContact O-N 2.83Å
123	R	92.4	Very high	93	Very high	48 Å²	48	79.2 Å²	79.2	18%	0.181	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-42.6	174.8	-177	171.9	176.5	-173.7	-8.4	111.9	E119 F120 R126 L127 L174 A177	E119-R123 WeakPolarHBondContact O-CB 3.16Å; E119-R123 PolarHBondContact O-N 3.44Å; F120-R123 PolarHBondContact O-N 2.77Å; R123-R126 PolarHBondContact O-N 3.07Å; R123-L127 VanDerWaalsContact O-CB 3.31Å; R123-L127 WeakPolarHBondContact O-CB 3.28Å; R123-L127 PolarHBondContact O-N 2.8Å; R123-L174 HydrophobicContact CG-CD2 4.19Å; R123-L174 PolarHBondContact NE-O 2.9Å; R123-L174 PolarHBondContact NH2-O 3.23Å; R123-A177 VanDerWaalsContact CZ-O 3.26Å; R123-A177 PolarHBondContact NH1-O 2.91Å; R123-A177 PolarHBondContact NH2-O 3.11Å
124	L	94.4	Very high	93	Very high	125 Å²	125	79 Å²	79	65%	0.654	40%	0.4	S	S	*	.	H	α-helix	trans	-60.9	-50.3	176.9	-175	85.9	0	0	0	111.1	F120 E121 R126 L127 S128	F120-L124 VanDerWaalsContact O-CB 3.28Å; F120-L124 WeakPolarHBondContact O-CB 3.36Å; F120-L124 PolarHBondContact O-N 2.99Å; E121-L124 PolarHBondContact O-N 3.35Å; L124-R126 PolarHBondContact O-N 3.37Å; L124-L127 PolarHBondContact O-N 2.81Å; L124-S128 WeakPolarHBondContact O-CB 3.43Å; L124-S128 PolarHBondContact O-N 2.93Å
125	Q	95.7	Very high	92.9	Very high	115 Å²	115	79.8 Å²	79.8	54%	0.537	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-45.3	178.7	-71.4	175.7	5	0	0	111.7	E121 S128 S129	E121-Q125 VanDerWaalsContact O-CG 3.31Å; E121-Q125 WeakPolarHBondContact O-CG 3.5Å; E121-Q125 PolarHBondContact O-N 3.42Å; Q125-S128 PolarHBondContact O-N 2.92Å; Q125-S129 WeakPolarHBondContact O-CB 2.78Å; Q125-S129 PolarHBondContact O-N 3.03Å; Q125-S129 PolarHBondContact O-OG 2.91Å
126	R	94.4	Very high	92.7	Very high	122 Å²	122	82 Å²	82	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-47.5	175.9	-75.7	179.5	66.3	152.3	0.7	111.9	T122 R123 L124 S129 H130 E170 L174	T122-R126 WeakPolarHBondContact O-CB 3.45Å; T122-R126 VanDerWaalsContact O-CG 3.3Å; T122-R126 WeakPolarHBondContact O-CG 3.38Å; T122-R126 PolarHBondContact O-N 2.83Å; R123-R126 PolarHBondContact O-N 3.07Å; L124-R126 PolarHBondContact O-N 3.37Å; R126-S129 PolarHBondContact O-N 2.91Å; R126-S129 PolarHBondContact O-OG 2.95Å; R126-H130 PolarHBondContact O-CD2 2.96Å; R126-H130 VanDerWaalsContact O-CD2 3.24Å; R126-H130 PolarHBondContact O-N 2.87Å; R126-H130 VanDerWaalsContact O-N 3.09Å; R126-E170 IonicContact NH2-OE2 3.45Å; R126-E170 PolarHBondContact NH2-OE2 2.84Å; R126-E170 VanDerWaalsContact NH2-OE2 3.13Å; R126-L174 HydrophobicContact CB-CD1 3.98Å
127	L	93.2	Very high	92.5	Very high	52 Å²	52	82.2 Å²	82.2	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-45.3	-179.8	-174.4	62.3	0	0	0	111.4	R123 L124 S129 H130 V131 I171 L174	R123-L127 VanDerWaalsContact O-CB 3.31Å; R123-L127 WeakPolarHBondContact O-CB 3.28Å; R123-L127 PolarHBondContact O-N 2.8Å; L124-L127 PolarHBondContact O-N 2.81Å; L127-S129 PolarHBondContact O-N 2.81Å; L127-H130 PolarHBondContact O-N 2.75Å; L127-V131 HydrophobicContact CD1-CG2 4.34Å; L127-V131 HydrophobicContact CG-CG2 4.45Å; L127-V131 WeakPolarHBondContact O-CB 3.39Å; L127-V131 VanDerWaalsContact O-CG2 3.25Å; L127-V131 WeakPolarHBondContact O-CG2 3.39Å; L127-V131 PolarHBondContact O-N 3.29Å; L127-I171 HydrophobicContact CD1-CB 4.46Å; L127-I171 HydrophobicContact CD1-CG1 4.18Å; L127-I171 HydrophobicContact CD1-CG2 4.11Å; L127-L174 HydrophobicContact CB-CD1 4.28Å; L127-L174 HydrophobicContact CD1-CB 4.26Å; L127-L174 HydrophobicContact CD1-CD1 4.38Å
128	S	94.8	Very high	92.1	Very high	63 Å²	63	82.9 Å²	82.9	44%	0.441	41%	0.411	S	S	.	.	H	α-helix	trans	-58.7	-47.4	177.2	-166.4	0	0	0	0	111.4	L124 Q125 H130 V131 D132	L124-S128 WeakPolarHBondContact O-CB 3.43Å; L124-S128 PolarHBondContact O-N 2.93Å; Q125-S128 PolarHBondContact O-N 2.92Å; S128-H130 PolarHBondContact O-N 3.38Å; S128-V131 PolarHBondContact O-N 3.42Å; S128-D132 WeakPolarHBondContact O-CB 3.49Å; S128-D132 VanDerWaalsContact O-CG 3.29Å; S128-D132 PolarHBondContact O-N 3.46Å
129	S	94.9	Very high	91.4	Very high	53 Å²	53	86.7 Å²	86.7	37%	0.371	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-42.2	179.6	69.4	0	0	0	0	113	Q125 R126 L127 D132 L133	Q125-S129 WeakPolarHBondContact O-CB 2.78Å; Q125-S129 PolarHBondContact O-N 3.03Å; Q125-S129 PolarHBondContact O-OG 2.91Å; R126-S129 PolarHBondContact O-N 2.91Å; R126-S129 PolarHBondContact O-OG 2.95Å; L127-S129 PolarHBondContact O-N 2.81Å; S129-D132 PolarHBondContact O-N 3.25Å; S129-L133 WeakPolarHBondContact O-CD1 3.35Å; S129-L133 PolarHBondContact O-N 3.44Å
130	H	94	Very high	90.6	Very high	34 Å²	34	84.1 Å²	84.1	16%	0.157	42%	0.422	C	S	.	.	H	α-helix	trans	-68.3	-38.9	177.1	-76.7	-50.8	0	0	0	112.6	R126 L127 S128 L133 L134 H167 I171	R126-H130 PolarHBondContact O-CD2 2.96Å; R126-H130 VanDerWaalsContact O-CD2 3.24Å; R126-H130 PolarHBondContact O-N 2.87Å; R126-H130 VanDerWaalsContact O-N 3.09Å; L127-H130 PolarHBondContact O-N 2.75Å; S128-H130 PolarHBondContact O-N 3.38Å; H130-L133 PolarHBondContact O-N 3.45Å; H130-L134 WeakPolarHBondContact O-CB 3.26Å; H130-L134 PolarHBondContact O-N 3.35Å; H130-H167 AromaticContact CE1-ND1 3.6Å; H130-H167 AromaticContact ND1-CE1 3.65Å; H130-H167 AromaticContact ND1-ND1 3Å; H130-H167 PolarHBondContact ND1-ND1 3.21Å; H130-I171 HydrophobicContact CB-CD1 4.16Å; H130-I171 HydrophobicContact CB-CG1 3.86Å
131	V	93.4	Very high	89.2	Confident	47 Å²	47	87.3 Å²	87.3	29%	0.285	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-43.7	175	168.7	0	0	0	0	110.8	L127 S128 L134 K135 I171	L127-V131 HydrophobicContact CD1-CG2 4.34Å; L127-V131 HydrophobicContact CG-CG2 4.45Å; L127-V131 WeakPolarHBondContact O-CB 3.39Å; L127-V131 VanDerWaalsContact O-CG2 3.25Å; L127-V131 WeakPolarHBondContact O-CG2 3.39Å; L127-V131 PolarHBondContact O-N 3.29Å; S128-V131 PolarHBondContact O-N 3.42Å; V131-L134 PolarHBondContact O-N 2.85Å; V131-K135 HydrophobicContact CG1-CD 4.24Å; V131-K135 WeakPolarHBondContact O-CG 3.38Å; V131-K135 PolarHBondContact O-N 3.3Å; V131-I171 HydrophobicContact CG2-CD1 4.16Å
132	D	93.4	Very high	87.6	Confident	65 Å²	65	88.8 Å²	88.8	35%	0.348	46%	0.455	S	S	.	.	H	α-helix	trans	-67.2	-40	179	-69.4	-27	0	0	0	112.4	S128 S129 K135 R136	S128-D132 WeakPolarHBondContact O-CB 3.49Å; S128-D132 VanDerWaalsContact O-CG 3.29Å; S128-D132 PolarHBondContact O-N 3.46Å; S129-D132 PolarHBondContact O-N 3.25Å; D132-K135 PolarHBondContact O-N 2.82Å; D132-R136 WeakPolarHBondContact O-CG 3.05Å; D132-R136 PolarHBondContact O-N 2.97Å; D132-R136 VanDerWaalsContact O-N 3.1Å
133	L	91.8	Very high	85.5	Confident	70 Å²	70	91.3 Å²	91.3	37%	0.366	47%	0.47	S	S	.	.	H	α-helix	trans	-61.6	-44.2	172.7	-101.6	77.1	0	0	0	111.5	S129 H130 R136 L137 H167	S129-L133 WeakPolarHBondContact O-CD1 3.35Å; S129-L133 PolarHBondContact O-N 3.44Å; H130-L133 PolarHBondContact O-N 3.45Å; L133-R136 PolarHBondContact O-N 3.07Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.32Å; L133-H167 VanDerWaalsContact CD2-NE2 3.34Å; L133-H167 WeakPolarHBondContact CD2-NE2 3.45Å
134	L	88.7	Confident	83.4	Confident	60 Å²	60	97 Å²	97	31%	0.314	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-41.5	179.7	-158.9	96.9	0	0	0	111.7	H130 V131 R136 L137 L138 H167	H130-L134 WeakPolarHBondContact O-CB 3.26Å; H130-L134 PolarHBondContact O-N 3.35Å; V131-L134 PolarHBondContact O-N 2.85Å; L134-R136 PolarHBondContact O-N 2.96Å; L134-L137 PolarHBondContact O-N 3.12Å; L134-L138 PolarHBondContact O-N 3.26Å; L134-H167 HydrophobicContact CD1-CB 3.77Å
135	K	89.9	Confident	81	Confident	118 Å²	118	99.7 Å²	99.7	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-59.4	-43.8	174.5	-76.5	174.7	-178.8	171.8	0	111.9	V131 D132 L138 Q139	V131-K135 HydrophobicContact CG1-CD 4.24Å; V131-K135 WeakPolarHBondContact O-CG 3.38Å; V131-K135 PolarHBondContact O-N 3.3Å; D132-K135 PolarHBondContact O-N 2.82Å; K135-L138 PolarHBondContact O-N 2.95Å; K135-Q139 WeakPolarHBondContact O-CG 3.4Å; K135-Q139 PolarHBondContact O-N 3.14Å
136	R	88.3	Confident	78.4	Confident	169 Å²	169	101.7 Å²	101.7	64%	0.638	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-41.7	176.2	-71.4	-177.7	-147.2	175.3	5.8	112.2	D132 L133 L134 L138 Q139 A140	D132-R136 WeakPolarHBondContact O-CG 3.05Å; D132-R136 PolarHBondContact O-N 2.97Å; D132-R136 VanDerWaalsContact O-N 3.1Å; L133-R136 PolarHBondContact O-N 3.07Å; L134-R136 PolarHBondContact O-N 2.96Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3Å; R136-Q139 PolarHBondContact O-N 2.72Å; R136-A140 WeakPolarHBondContact O-CB 3.31Å; R136-A140 PolarHBondContact O-N 2.93Å; R136-A140 VanDerWaalsContact O-N 3.15Å
137	L	85.5	Confident	76	Confident	45 Å²	45	101 Å²	101	24%	0.236	54%	0.54	C	S	.	.	H	α-helix	trans	-63.5	-35.3	177.4	-71	171.4	0	0	0	112	L133 L134 A163 T164	L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.32Å; L134-L137 PolarHBondContact O-N 3.12Å; L137-A163 HydrophobicContact CD1-CB 4.22Å; L137-T164 HydrophobicContact CB-CG2 4Å; L137-T164 HydrophobicContact CD1-CG2 3.83Å; L137-T164 HydrophobicContact CG-CG2 4.48Å
138	L	82.4	Confident	74	Confident	125 Å²	125	108.7 Å²	108.7	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-75	-36.1	177.9	-159.4	75.9	0	0	0	113	L134 K135 R136 A140 Q141	L134-L138 PolarHBondContact O-N 3.26Å; K135-L138 PolarHBondContact O-N 2.95Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-Q141 WeakPolarHBondContact O-CG 3.39Å
139	Q	81.5	Confident	71.8	Confident	161 Å²	161	112 Å²	112	75%	0.752	58%	0.575	S	S	*	*	H	α-helix	trans	-70.8	-27.2	176.6	-73.8	176.1	-2.5	0	0	113.1	K135 R136 Q141	K135-Q139 WeakPolarHBondContact O-CG 3.4Å; K135-Q139 PolarHBondContact O-N 3.14Å; R136-Q139 PolarHBondContact O-N 2.72Å; Q139-Q141 PolarHBondContact O-N 2.67Å; Q139-Q141 VanDerWaalsContact O-N 3.09Å
140	A	73.6	Confident	69.9	Low	59 Å²	59	114.2 Å²	114.2	49%	0.488	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	11.7	179.6	0	0	0	0	0	114.2	R136 L138 P142	R136-A140 WeakPolarHBondContact O-CB 3.31Å; R136-A140 PolarHBondContact O-N 2.93Å; R136-A140 VanDerWaalsContact O-N 3.15Å; L138-A140 VanDerWaalsContact C-N 3.32Å; A140-P142 WeakPolarHBondContact O-CD 3.5Å
141	Q	62.7	Low	68.1	Low	140 Å²	140	120.4 Å²	120.4	65%	0.654	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-64.1	123.4	174.7	-74.7	-156.6	10.1	0	0	110.2	L138 Q139 T143	L138-Q141 WeakPolarHBondContact O-CG 3.39Å; Q139-Q141 PolarHBondContact O-N 2.67Å; Q139-Q141 VanDerWaalsContact O-N 3.09Å; Q141-T143 PolarHBondContact O-N 2.75Å
142	P	59.7	Low	66.3	Low	118 Å²	118	125 Å²	125	77%	0.766	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-67.2	118.2	179.9	25.5	-30.4	0	0	0	109.4	A140 N144	A140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-N144 PolarHBondContact O-N 3.26Å
143	T	50.4	Low	64.6	Low	128 Å²	128	125.7 Å²	125.7	79%	0.785	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-54.7	127.2	161.7	45.6	0	0	0	0	108.5	Q141 E145	Q141-T143 PolarHBondContact O-N 2.75Å; T143-E145 PolarHBondContact O-N 2.85Å
144	N	48.2	Very low	63	Low	169 Å²	169	126.9 Å²	126.9	90%	0.904	64%	0.644	S	S	*	*	S	Bend	trans	-36	90.2	179.4	-72.2	-26.6	0	0	0	114.2	P142	P142-N144 PolarHBondContact O-N 3.26Å
145	E	43.4	Very low	61.6	Low	180 Å²	180	130.4 Å²	130.4	84%	0.841	66%	0.66	S	S	*	*			trans	-133	112.3	157.8	-73.5	-165.4	172	0	0	109.7	T143 S147	T143-E145 PolarHBondContact O-N 2.85Å; E145-S147 PolarHBondContact O-N 2.77Å
146	I	42	Very low	60.4	Low	157 Å²	157	129 Å²	129	81%	0.805	66%	0.657	S	S	*	*			trans	-62.7	115.1	179.4	-62.3	154.8	0	0	0	108.1
147	S	44.9	Very low	59.5	Low	108 Å²	108	123.5 Å²	123.5	76%	0.755	64%	0.643	S	S	*	*			trans	-158	131.5	165.2	-80.2	0	0	0	0	113	E145 Q149	E145-S147 PolarHBondContact O-N 2.77Å; S147-Q149 PolarHBondContact O-N 2.79Å; S147-Q149 VanDerWaalsContact O-N 3.1Å
148	Y	49.7	Very low	59	Low	213 Å²	213	125.7 Å²	125.7	84%	0.835	66%	0.658	S	S	*	*	S	Bend	trans	-65.5	93.4	-168.6	-66.5	-92.5	0	0	0	114.4
149	Q	49.2	Very low	58.9	Low	132 Å²	132	123.4 Å²	123.4	62%	0.617	65%	0.652	S	S	*	*			trans	-144.6	66.4	154.8	-70.1	-166.4	4.5	0	0	110.9	S147 Q151 V153	S147-Q149 PolarHBondContact O-N 2.79Å; S147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-Q151 VanDerWaalsContact C-N 3.3Å; Q149-Q151 PolarHBondContact O-N 3.03Å; Q149-Q151 VanDerWaalsContact O-N 3.15Å; Q149-V153 VanDerWaalsContact O-CG2 3.23Å; Q149-V153 WeakPolarHBondContact O-CG2 3.48Å; Q149-V153 PolarHBondContact O-N 2.98Å
150	T	55	Low	58.8	Low	100 Å²	100	121 Å²	121	61%	0.613	64%	0.636	S	S	*	*	H	α-helix	trans	-55.9	-35.8	-169.2	-40.5	0	0	0	0	114	I154	T150-I154 HydrophobicContact CG2-CD1 3.9Å; T150-I154 WeakPolarHBondContact O-CD1 3.48Å; T150-I154 WeakPolarHBondContact O-CG1 3.41Å; T150-I154 PolarHBondContact O-N 3Å
151	Q	55.3	Low	59.2	Low	165 Å²	165	123 Å²	123	77%	0.771	64%	0.639	S	S	*	*	H	α-helix	trans	-83.7	-36.8	-170.4	-143.8	156	9.2	0	0	114.5	Q149 Q155	Q149-Q151 VanDerWaalsContact C-N 3.3Å; Q149-Q151 PolarHBondContact O-N 3.03Å; Q149-Q151 VanDerWaalsContact O-N 3.15Å; Q151-Q155 PolarHBondContact O-N 2.82Å
152	K	56.3	Low	60.3	Low	142 Å²	142	120.6 Å²	120.6	62%	0.617	63%	0.63	S	S	*	*	H	α-helix	trans	-74.2	-32.9	173.3	-80	-174.7	178	179	0	112.2	N156	K152-N156 WeakPolarHBondContact O-CB 3.39Å; K152-N156 PolarHBondContact O-N 2.88Å; K152-N156 VanDerWaalsContact O-N 3.16Å; K152-N156 PolarHBondContact O-ND2 3.49Å
153	V	57.7	Low	61.6	Low	81 Å²	81	116.3 Å²	116.3	49%	0.491	61%	0.605	S	S	.	*	H	α-helix	trans	-65	-45.9	175.6	175.2	0	0	0	0	110.3	Q149 Q155 N156 T157	Q149-V153 VanDerWaalsContact O-CG2 3.23Å; Q149-V153 WeakPolarHBondContact O-CG2 3.48Å; Q149-V153 PolarHBondContact O-N 2.98Å; V153-Q155 PolarHBondContact O-N 2.95Å; V153-N156 PolarHBondContact O-N 2.94Å; V153-T157 HydrophobicContact CG1-CG2 4.34Å; V153-T157 WeakPolarHBondContact O-CG2 3.45Å; V153-T157 PolarHBondContact O-N 3.19Å; V153-T157 PolarHBondContact O-OG1 2.84Å
154	I	57.7	Low	63.4	Low	94 Å²	94	112.6 Å²	112.6	48%	0.482	58%	0.582	S	S	.	*	H	α-helix	trans	-62	-43.9	178.8	-67.1	164.4	0	0	0	112.4	T150 N156 T157 V158	T150-I154 HydrophobicContact CG2-CD1 3.9Å; T150-I154 WeakPolarHBondContact O-CD1 3.48Å; T150-I154 WeakPolarHBondContact O-CG1 3.41Å; T150-I154 PolarHBondContact O-N 3Å; I154-N156 VanDerWaalsContact C-N 3.33Å; I154-N156 PolarHBondContact O-N 2.94Å; I154-T157 WeakPolarHBondContact CA-OG1 3.3Å; I154-T157 PolarHBondContact O-N 2.92Å; I154-T157 PolarHBondContact O-OG1 3.38Å; I154-V158 HydrophobicContact CG2-CG2 4.44Å; I154-V158 VanDerWaalsContact O-CG2 3.32Å; I154-V158 WeakPolarHBondContact O-CG2 3.24Å; I154-V158 PolarHBondContact O-N 3.29Å
155	Q	59.6	Low	65.3	Low	135 Å²	135	110.9 Å²	110.9	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-64.5	-38.9	177.8	-78.3	-176.5	-24.2	0	0	112.5	Q151 V153 S159	Q151-Q155 PolarHBondContact O-N 2.82Å; V153-Q155 PolarHBondContact O-N 2.95Å; Q155-S159 WeakPolarHBondContact O-CB 3.27Å; Q155-S159 PolarHBondContact O-N 2.98Å; Q155-S159 PolarHBondContact O-OG 2.75Å
156	N	64.5	Low	67.6	Low	87 Å²	87	108.7 Å²	108.7	47%	0.465	56%	0.556	S	S	.	*	H	α-helix	trans	-71.2	-32.4	177.4	-77.2	-19.1	0	0	0	112.6	K152 V153 I154 R160	K152-N156 WeakPolarHBondContact O-CB 3.39Å; K152-N156 PolarHBondContact O-N 2.88Å; K152-N156 VanDerWaalsContact O-N 3.16Å; K152-N156 PolarHBondContact O-ND2 3.49Å; V153-N156 PolarHBondContact O-N 2.94Å; I154-N156 VanDerWaalsContact C-N 3.33Å; I154-N156 PolarHBondContact O-N 2.94Å; N156-R160 WeakPolarHBondContact O-CB 3.47Å; N156-R160 VanDerWaalsContact O-CG 3.22Å; N156-R160 WeakPolarHBondContact O-CG 3.39Å; N156-R160 PolarHBondContact O-N 2.79Å
157	T	69.5	Low	70	Confident	55 Å²	55	102.7 Å²	102.7	34%	0.337	53%	0.525	S	S	.	.	H	α-helix	trans	-70	-47.6	174.4	52.9	0	0	0	0	111.4	V153 I154 S159 R160 D161	V153-T157 HydrophobicContact CG1-CG2 4.34Å; V153-T157 WeakPolarHBondContact O-CG2 3.45Å; V153-T157 PolarHBondContact O-N 3.19Å; V153-T157 PolarHBondContact O-OG1 2.84Å; I154-T157 WeakPolarHBondContact CA-OG1 3.3Å; I154-T157 PolarHBondContact O-N 2.92Å; I154-T157 PolarHBondContact O-OG1 3.38Å; T157-S159 VanDerWaalsContact C-N 3.28Å; T157-S159 PolarHBondContact O-N 3.45Å; T157-R160 WeakPolarHBondContact O-CB 3.49Å; T157-R160 PolarHBondContact O-N 3.09Å; T157-D161 PolarHBondContact O-N 3.04Å
158	V	76.3	Confident	72.3	Confident	90 Å²	90	103.2 Å²	103.2	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-40.4	179.7	174.1	0	0	0	0	111.7	I154 L162	I154-V158 HydrophobicContact CG2-CG2 4.44Å; I154-V158 VanDerWaalsContact O-CG2 3.32Å; I154-V158 WeakPolarHBondContact O-CG2 3.24Å; I154-V158 PolarHBondContact O-N 3.29Å; V158-L162 WeakPolarHBondContact O-CB 3.34Å; V158-L162 PolarHBondContact O-N 2.81Å; V158-L162 VanDerWaalsContact O-N 3.09Å
159	S	79.4	Confident	74.3	Confident	78 Å²	78	95.5 Å²	95.5	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-69.2	-33.7	178.4	-61.2	0	0	0	0	112.4	Q155 T157 A163	Q155-S159 WeakPolarHBondContact O-CB 3.27Å; Q155-S159 PolarHBondContact O-N 2.98Å; Q155-S159 PolarHBondContact O-OG 2.75Å; T157-S159 VanDerWaalsContact C-N 3.28Å; T157-S159 PolarHBondContact O-N 3.45Å; S159-A163 WeakPolarHBondContact O-CB 3.34Å; S159-A163 PolarHBondContact O-N 3.29Å; S159-A163 VanDerWaalsContact O-N 3.16Å
160	R	79.4	Confident	76.3	Confident	109 Å²	109	92 Å²	92	41%	0.411	48%	0.477	S	S	.	.	H	α-helix	trans	-69.8	-46.1	173.5	-76.9	177.6	-170.6	117.4	-3.5	111.7	N156 T157 L162 A163 T164	N156-R160 WeakPolarHBondContact O-CB 3.47Å; N156-R160 VanDerWaalsContact O-CG 3.22Å; N156-R160 WeakPolarHBondContact O-CG 3.39Å; N156-R160 PolarHBondContact O-N 2.79Å; T157-R160 WeakPolarHBondContact O-CB 3.49Å; T157-R160 PolarHBondContact O-N 3.09Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-L162 PolarHBondContact O-N 2.75Å; R160-A163 WeakPolarHBondContact O-CB 3.22Å; R160-A163 PolarHBondContact O-N 3.34Å; R160-A163 VanDerWaalsContact O-N 3.08Å; R160-T164 WeakPolarHBondContact O-CG2 3.35Å; R160-T164 PolarHBondContact O-N 2.91Å
161	D	82.3	Confident	78.1	Confident	101 Å²	101	88.4 Å²	88.4	54%	0.54	45%	0.454	S	S	.	.	H	α-helix	trans	-59.5	-44.6	179.6	-65.5	-23.2	0	0	0	110.4	T157 A163 T164 Q165	T157-D161 PolarHBondContact O-N 3.04Å; D161-A163 VanDerWaalsContact C-N 3.35Å; D161-A163 PolarHBondContact O-N 3.44Å; D161-T164 PolarHBondContact O-N 2.78Å; D161-T164 PolarHBondContact O-OG1 2.93Å; D161-Q165 PolarHBondContact O-N 2.88Å
162	L	86.9	Confident	79.9	Confident	90 Å²	90	85.7 Å²	85.7	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-60.8	-41	174.3	-174.5	66.8	0	0	0	112.6	V158 R160 Q165 K166	V158-L162 WeakPolarHBondContact O-CB 3.34Å; V158-L162 PolarHBondContact O-N 2.81Å; V158-L162 VanDerWaalsContact O-N 3.09Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-L162 PolarHBondContact O-N 2.75Å; L162-Q165 PolarHBondContact O-N 2.99Å; L162-K166 WeakPolarHBondContact O-CG 3.44Å; L162-K166 PolarHBondContact O-N 3.47Å
163	A	85.7	Confident	81.6	Confident	29 Å²	29	85.3 Å²	85.3	24%	0.24	44%	0.44	C	S	.	.	H	α-helix	trans	-66	-42.9	177.2	0	0	0	0	0	112.1	L137 S159 R160 D161 Q165 K166 H167	L137-A163 HydrophobicContact CD1-CB 4.22Å; S159-A163 WeakPolarHBondContact O-CB 3.34Å; S159-A163 PolarHBondContact O-N 3.29Å; S159-A163 VanDerWaalsContact O-N 3.16Å; R160-A163 WeakPolarHBondContact O-CB 3.22Å; R160-A163 PolarHBondContact O-N 3.34Å; R160-A163 VanDerWaalsContact O-N 3.08Å; D161-A163 VanDerWaalsContact C-N 3.35Å; D161-A163 PolarHBondContact O-N 3.44Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.78Å; A163-K166 PolarHBondContact O-N 2.86Å; A163-H167 PolarHBondContact O-CD2 3.4Å; A163-H167 PolarHBondContact O-N 3.09Å
164	T	87.9	Confident	83.1	Confident	49 Å²	49	82.4 Å²	82.4	30%	0.301	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.9	63.3	0	0	0	0	111.7	L137 R160 D161 K166 H167 K168	L137-T164 HydrophobicContact CB-CG2 4Å; L137-T164 HydrophobicContact CD1-CG2 3.83Å; L137-T164 HydrophobicContact CG-CG2 4.48Å; R160-T164 WeakPolarHBondContact O-CG2 3.35Å; R160-T164 PolarHBondContact O-N 2.91Å; D161-T164 PolarHBondContact O-N 2.78Å; D161-T164 PolarHBondContact O-OG1 2.93Å; T164-K166 PolarHBondContact O-N 3.36Å; T164-H167 PolarHBondContact O-N 2.96Å; T164-K168 VanDerWaalsContact O-CB 3.32Å; T164-K168 WeakPolarHBondContact O-CB 3.38Å; T164-K168 PolarHBondContact O-N 3.39Å
165	Q	89.6	Confident	84.6	Confident	133 Å²	133	83.4 Å²	83.4	62%	0.621	43%	0.426	S	S	*	.	H	α-helix	trans	-63.3	-42.2	177.6	-170.5	-179.8	13	0	0	111.7	D161 L162 A163 K168 A169	D161-Q165 PolarHBondContact O-N 2.88Å; L162-Q165 PolarHBondContact O-N 2.99Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.78Å; Q165-K168 PolarHBondContact O-N 2.9Å; Q165-A169 WeakPolarHBondContact O-CB 3.5Å; Q165-A169 PolarHBondContact O-N 2.8Å
166	K	91.6	Very high	86.1	Confident	134 Å²	134	81.4 Å²	81.4	58%	0.583	43%	0.427	S	S	*	.	H	α-helix	trans	-62.5	-46.2	176.2	-76.3	-178.9	177.7	-175.8	0	112.3	L162 A163 T164 A169 E170	L162-K166 WeakPolarHBondContact O-CG 3.44Å; L162-K166 PolarHBondContact O-N 3.47Å; A163-K166 PolarHBondContact O-N 2.86Å; T164-K166 PolarHBondContact O-N 3.36Å; K166-A169 PolarHBondContact O-N 2.77Å; K166-E170 PolarHBondContact O-N 3.38Å; K166-E170 VanDerWaalsContact O-N 3.08Å
167	H	92.2	Very high	87	Confident	31 Å²	31	79.2 Å²	79.2	14%	0.144	42%	0.421	C	S	.	.	H	α-helix	trans	-66.8	-38.6	178.2	-69.3	-44.7	0	0	0	112.4	H130 L133 L134 A163 T164 E170 I171	H130-H167 AromaticContact CE1-ND1 3.6Å; H130-H167 AromaticContact ND1-CE1 3.65Å; H130-H167 AromaticContact ND1-ND1 3Å; H130-H167 PolarHBondContact ND1-ND1 3.21Å; L133-H167 VanDerWaalsContact CD2-NE2 3.34Å; L133-H167 WeakPolarHBondContact CD2-NE2 3.45Å; L134-H167 HydrophobicContact CD1-CB 3.77Å; A163-H167 PolarHBondContact O-CD2 3.4Å; A163-H167 PolarHBondContact O-N 3.09Å; T164-H167 PolarHBondContact O-N 2.96Å; H167-E170 PolarHBondContact O-N 2.82Å; H167-I171 WeakPolarHBondContact O-CB 3.37Å; H167-I171 VanDerWaalsContact O-CG1 3.25Å; H167-I171 WeakPolarHBondContact O-CG1 3.43Å; H167-I171 PolarHBondContact O-N 3.17Å
168	K	91.9	Very high	87.6	Confident	120 Å²	120	81.9 Å²	81.9	52%	0.522	44%	0.44	S	S	.	.	H	α-helix	trans	-57.9	-48.3	172.6	179.5	-178.8	170	-177.9	0	111.4	T164 Q165 E170 I171 E172	T164-K168 VanDerWaalsContact O-CB 3.32Å; T164-K168 WeakPolarHBondContact O-CB 3.38Å; T164-K168 PolarHBondContact O-N 3.39Å; Q165-K168 PolarHBondContact O-N 2.9Å; K168-E170 PolarHBondContact O-N 2.88Å; K168-I171 PolarHBondContact O-N 2.83Å; K168-E172 WeakPolarHBondContact CE-OE1 3.41Å; K168-E172 IonicContact NZ-OE1 3.24Å; K168-E172 WeakPolarHBondContact O-CG 3.41Å; K168-E172 PolarHBondContact O-N 2.93Å
169	A	92	Very high	87.9	Confident	51 Å²	51	82.2 Å²	82.2	42%	0.421	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-40.8	-179.8	0	0	0	0	0	112.9	Q165 K166 E172 K173	Q165-A169 WeakPolarHBondContact O-CB 3.5Å; Q165-A169 PolarHBondContact O-N 2.8Å; K166-A169 PolarHBondContact O-N 2.77Å; A169-E172 PolarHBondContact O-N 2.79Å; A169-K173 WeakPolarHBondContact O-CB 3.47Å; A169-K173 PolarHBondContact O-N 2.65Å
170	E	92	Very high	87.8	Confident	58 Å²	58	81.4 Å²	81.4	27%	0.271	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-39.3	175	-78.8	-67.3	138.6	0	0	112.2	R126 K166 H167 K168 K173 L174	R126-E170 IonicContact NH2-OE2 3.45Å; R126-E170 PolarHBondContact NH2-OE2 2.84Å; R126-E170 VanDerWaalsContact NH2-OE2 3.13Å; K166-E170 PolarHBondContact O-N 3.38Å; K166-E170 VanDerWaalsContact O-N 3.08Å; H167-E170 PolarHBondContact O-N 2.82Å; K168-E170 PolarHBondContact O-N 2.88Å; E170-K173 PolarHBondContact O-N 3.47Å; E170-L174 WeakPolarHBondContact O-CB 3.5Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.22Å; E170-L174 PolarHBondContact O-N 2.87Å
171	I	92.8	Very high	87.3	Confident	25 Å²	25	83.6 Å²	83.6	13%	0.128	45%	0.454	C	S	.	.	H	α-helix	trans	-61.7	-46.6	174	-70.8	168	0	0	0	110.4	L127 H130 V131 H167 K168 K173 L174 I175	L127-I171 HydrophobicContact CD1-CB 4.46Å; L127-I171 HydrophobicContact CD1-CG1 4.18Å; L127-I171 HydrophobicContact CD1-CG2 4.11Å; H130-I171 HydrophobicContact CB-CD1 4.16Å; H130-I171 HydrophobicContact CB-CG1 3.86Å; V131-I171 HydrophobicContact CG2-CD1 4.16Å; H167-I171 WeakPolarHBondContact O-CB 3.37Å; H167-I171 VanDerWaalsContact O-CG1 3.25Å; H167-I171 WeakPolarHBondContact O-CG1 3.43Å; H167-I171 PolarHBondContact O-N 3.17Å; K168-I171 PolarHBondContact O-N 2.83Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 2.76Å; I171-L174 CarbonylContact O-C 3.52Å; I171-L174 PolarHBondContact O-N 3.23Å; I171-I175 HydrophobicContact CG2-CD1 3.55Å; I171-I175 HydrophobicContact CG2-CG1 4.28Å; I171-I175 WeakPolarHBondContact O-CB 3.46Å; I171-I175 VanDerWaalsContact O-CG1 3.27Å; I171-I175 WeakPolarHBondContact O-CG1 3.38Å; I171-I175 PolarHBondContact O-N 2.78Å
172	E	92.7	Very high	86.3	Confident	108 Å²	108	84.2 Å²	84.2	51%	0.505	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-43	177.6	-75.5	172.7	175.2	0	0	111.5	K168 A169 I175 S176	K168-E172 WeakPolarHBondContact CE-OE1 3.41Å; K168-E172 IonicContact NZ-OE1 3.24Å; K168-E172 WeakPolarHBondContact O-CG 3.41Å; K168-E172 PolarHBondContact O-N 2.93Å; A169-E172 PolarHBondContact O-N 2.79Å; E172-I175 PolarHBondContact O-N 2.73Å; E172-S176 WeakPolarHBondContact O-CB 3.39Å; E172-S176 PolarHBondContact O-N 3Å; E172-S176 PolarHBondContact O-OG 2.89Å
173	K	91.9	Very high	85.1	Confident	133 Å²	133	82.9 Å²	82.9	58%	0.578	45%	0.45	S	S	*	.	H	α-helix	trans	-61.6	-47.4	174.4	-176	180	177.7	-178.4	0	111.8	A169 E170 I171 I175 S176	A169-K173 WeakPolarHBondContact O-CB 3.47Å; A169-K173 PolarHBondContact O-N 2.65Å; E170-K173 PolarHBondContact O-N 3.47Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 2.76Å; K173-I175 PolarHBondContact O-N 2.85Å; K173-S176 PolarHBondContact O-N 2.75Å; K173-S176 PolarHBondContact O-OG 2.84Å
174	L	89.3	Confident	84.1	Confident	21 Å²	21	83.3 Å²	83.3	11%	0.11	45%	0.451	C	S	.	.	H	α-helix	trans	-70.1	-14.7	178.2	-68.6	173.6	0	0	0	113.4	R123 R126 L127 E170 I171	R123-L174 HydrophobicContact CG-CD2 4.19Å; R123-L174 PolarHBondContact NE-O 2.9Å; R123-L174 PolarHBondContact NH2-O 3.23Å; R126-L174 HydrophobicContact CB-CD1 3.98Å; L127-L174 HydrophobicContact CB-CD1 4.28Å; L127-L174 HydrophobicContact CD1-CB 4.26Å; L127-L174 HydrophobicContact CD1-CD1 4.38Å; E170-L174 WeakPolarHBondContact O-CB 3.5Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.22Å; E170-L174 PolarHBondContact O-N 2.87Å; I171-L174 CarbonylContact O-C 3.52Å; I171-L174 PolarHBondContact O-N 3.23Å
175	I	89.7	Confident	82.8	Confident	114 Å²	114	90.8 Å²	90.8	59%	0.585	48%	0.483	S	S	*	.	H	α-helix	trans	-90	-37.4	172.1	-69.6	169.4	0	0	0	110.4	I171 E172 K173 A177	I171-I175 HydrophobicContact CG2-CD1 3.55Å; I171-I175 HydrophobicContact CG2-CG1 4.28Å; I171-I175 WeakPolarHBondContact O-CB 3.46Å; I171-I175 VanDerWaalsContact O-CG1 3.27Å; I171-I175 WeakPolarHBondContact O-CG1 3.38Å; I171-I175 PolarHBondContact O-N 2.78Å; E172-I175 PolarHBondContact O-N 2.73Å; K173-I175 PolarHBondContact O-N 2.85Å; I175-A177 VanDerWaalsContact C-N 3.26Å; I175-A177 PolarHBondContact O-N 3.1Å
176	S	90	Very high	81.1	Confident	93 Å²	93	86.9 Å²	86.9	65%	0.65	47%	0.468	S	S	*	.	H	α-helix	trans	-65.1	-23.4	-176.8	68.3	0	0	0	0	115	E172 K173	E172-S176 WeakPolarHBondContact O-CB 3.39Å; E172-S176 PolarHBondContact O-N 3Å; E172-S176 PolarHBondContact O-OG 2.89Å; K173-S176 PolarHBondContact O-N 2.75Å; K173-S176 PolarHBondContact O-OG 2.84Å
177	A	83.8	Confident	79.2	Confident	41 Å²	41	85.9 Å²	85.9	34%	0.339	47%	0.469	S	S	.	.	S	Bend	trans	-71.5	125.6	179.6	0	0	0	0	0	110.4	R123 I175	R123-A177 VanDerWaalsContact CZ-O 3.26Å; R123-A177 PolarHBondContact NH1-O 2.91Å; R123-A177 PolarHBondContact NH2-O 3.11Å; I175-A177 VanDerWaalsContact C-N 3.26Å; I175-A177 PolarHBondContact O-N 3.1Å
178	P	82.5	Confident	77.7	Confident	112 Å²	112	87.8 Å²	87.8	73%	0.727	48%	0.483	S	S	*	.			trans	-63.4	146.7	-179.4	26.2	-33.5	0	0	0	111.2	P180	P178-P180 WeakPolarHBondContact O-CD 3.32Å
179	V	82.2	Confident	76.6	Confident	96 Å²	96	85.7 Å²	85.7	58%	0.582	48%	0.476	S	S	*	.			trans	-88.7	111.8	168.4	179.9	0	0	0	0	106.8	F120 L181	F120-V179 HydrophobicContact CE1-CG1 4.19Å; F120-V179 HydrophobicContact CZ-CG1 3.84Å; V179-L181 PolarHBondContact O-N 2.79Å
180	P	76.7	Confident	75.4	Confident	61 Å²	61	85 Å²	85	40%	0.396	47%	0.468	S	S	.	.			trans	-61.2	124.4	172.8	23.9	-30.6	0	0	0	108.8	L116 F120 P178 H182	L116-P180 HydrophobicContact CD2-CG 3.97Å; F120-P180 HydrophobicContact CE1-CG 4.23Å; F120-P180 HydrophobicContact CZ-CG 3.8Å; P178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-H182 PolarHBondContact O-N 3.26Å
181	L	70.4	Confident	74.8	Confident	156 Å²	156	89.2 Å²	89.2	82%	0.817	49%	0.486	S	S	*	.			trans	-68.6	-7.2	174.8	-76	157.7	0	0	0	112.5	V179	V179-L181 PolarHBondContact O-N 2.79Å
182	H	60.7	Low	73.9	Confident	113 Å²	113	92.4 Å²	92.4	52%	0.523	50%	0.499	S	S	.	.			trans	-117.4	149.3	-178.2	-69.9	-62.2	0	0	0	112.3	L116 P180 S184	L116-H182 WeakPolarHBondContact CD1-O 3.25Å; P180-H182 PolarHBondContact O-N 3.26Å; H182-S184 PolarHBondContact CE1-OG 2.83Å; H182-S184 PolarHBondContact ND1-OG 2.84Å
183	P	62	Low	72.9	Confident	63 Å²	63	90.4 Å²	90.4	41%	0.409	50%	0.495	S	S	.	.	S	Bend	cis	-73.9	127.3	1.7	30	-32.9	0	0	0	111.1	I113 L116	I113-P183 HydrophobicContact CG1-CG 3.74Å; L116-P183 HydrophobicContact CD1-CG 4.2Å
184	S	64.9	Low	72.1	Confident	38 Å²	38	89.3 Å²	89.3	27%	0.266	50%	0.5	S	S	.	.			trans	-89.5	166	172.1	51.6	0	0	0	0	108.7	H182 T186	H182-S184 PolarHBondContact CE1-OG 2.83Å; H182-S184 PolarHBondContact ND1-OG 2.84Å; S184-T186 PolarHBondContact O-N 2.83Å; S184-T186 WeakPolarHBondContact OG-CG2 3.35Å
185	E	59.2	Low	71.1	Confident	206 Å²	206	93.3 Å²	93.3	96%	0.963	52%	0.521	S	S	*	.			trans	-65.2	64.5	164.2	-66.5	-177.9	177.7	0	0	110.5
186	T	54.5	Low	70.5	Confident	51 Å²	51	91.9 Å²	91.9	31%	0.313	51%	0.514	S	S	.	.			trans	-90.5	121.3	167.8	51.9	0	0	0	0	107.4	R109 S184 T188	R109-T186 PolarHBondContact NH2-O 2.93Å; S184-T186 PolarHBondContact O-N 2.83Å; S184-T186 WeakPolarHBondContact OG-CG2 3.35Å; T186-T188 PolarHBondContact O-N 2.83Å; T186-T188 PolarHBondContact O-OG1 2.77Å
187	D	51.3	Low	69.6	Low	112 Å²	112	94 Å²	94	60%	0.599	52%	0.518	S	S	*	.			trans	-72.5	53.7	179.9	-156.9	7.8	0	0	0	110.9	R502	D187-R502 IonicContact OD1-CZ 2.83Å; D187-R502 IonicContact OD1-NH1 3.35Å; D187-R502 PolarHBondContact OD1-NH1 2.84Å; D187-R502 IonicContact OD1-NH2 3.57Å; D187-R502 PolarHBondContact OD1-NH2 2.99Å; D187-R502 IonicContact OD2-CZ 3.39Å; D187-R502 IonicContact OD2-NH1 3.55Å; D187-R502 PolarHBondContact OD2-NH1 2.77Å; D187-R502 IonicContact OD2-NH2 2.81Å
188	T	60.6	Low	69	Low	71 Å²	71	97.6 Å²	97.6	44%	0.436	53%	0.528	S	S	.	.			trans	-91.3	-9.1	-169.9	49.9	0	0	0	0	114.4	R109 T186	R109-T188 PolarHBondContact NH1-OG1 3.13Å; T186-T188 PolarHBondContact O-N 2.83Å; T186-T188 PolarHBondContact O-OG1 2.77Å
189	M	69.6	Low	68.7	Low	77 Å²	77	96 Å²	96	38%	0.379	52%	0.516	S	S	.	.			trans	-97.1	117.7	175.2	-77.1	-65.6	-71	0	0	109.1	L102 C105 R502	L102-M189 HydrophobicContact CD1-CE 3.77Å; C105-M189 HydrophobicContact CB-CE 3.78Å; M189-R502 PolarHBondContact O-NH2 2.83Å
190	S	67.1	Low	68.4	Low	36 Å²	36	95.2 Å²	95.2	25%	0.252	51%	0.508	S	S	.	.			trans	-151.9	137.1	174.7	44.5	0	0	0	0	110.7	F192 R502	S190-F192 WeakPolarHBondContact O-CD2 3.35Å; S190-F192 PolarHBondContact O-N 2.85Å; S190-F192 WeakPolarHBondContact OG-CE2 3.18Å; S190-F192 WeakPolarHBondContact OG-CZ 3.1Å; S190-R502 VanDerWaalsContact CB-NE 3.33Å
191	F	78.2	Confident	68.1	Low	147 Å²	147	93.8 Å²	93.8	65%	0.645	50%	0.504	S	S	*	.			trans	-78.7	112.4	170.9	178.1	-113.5	0	0	0	108.8	L98 P193	L98-F191 HydrophobicContact CD1-CE2 3.76Å; L98-F191 HydrophobicContact CD1-CZ 4.12Å; L98-F191 HydrophobicContact CD2-CE2 4.3Å; F191-P193 HydrophobicContact CE1-CB 3.98Å; F191-P193 HydrophobicContact CZ-CB 4.32Å
192	F	74	Confident	68.4	Low	92 Å²	92	92 Å²	92	40%	0.404	49%	0.493	S	S	.	.			trans	-99.1	113	170.6	-60.4	-76.6	0	0	0	108.1	S190 T194 Q501 R502	S190-F192 WeakPolarHBondContact O-CD2 3.35Å; S190-F192 PolarHBondContact O-N 2.85Å; S190-F192 WeakPolarHBondContact OG-CE2 3.18Å; S190-F192 WeakPolarHBondContact OG-CZ 3.1Å; F192-T194 PolarHBondContact O-N 2.79Å; F192-Q501 HydrophobicContact CE1-CB 3.66Å; F192-Q501 HydrophobicContact CE2-CB 4.32Å; F192-Q501 HydrophobicContact CZ-CB 3.28Å; F192-Q501 HydrophobicContact CZ-CG 3.94Å; F192-R502 HydrophobicContact CE1-CG 4.41Å
193	P	72.4	Confident	69.3	Low	66 Å²	66	90.3 Å²	90.3	43%	0.429	49%	0.491	S	S	.	.			trans	-76.7	83.1	172.6	35.2	-35.8	0	0	0	107.8	F191 D195 L196	F191-P193 HydrophobicContact CE1-CB 3.98Å; F191-P193 HydrophobicContact CZ-CB 4.32Å; P193-D195 PolarHBondContact O-N 2.93Å; P193-L196 HydrophobicContact CB-CB 3.97Å; P193-L196 HydrophobicContact CB-CD2 4.01Å; P193-L196 HydrophobicContact CB-CG 4.4Å; P193-L196 HydrophobicContact CG-CB 4.36Å; P193-L196 HydrophobicContact CG-CD2 3.99Å; P193-L196 WeakPolarHBondContact O-CB 3.42Å; P193-L196 PolarHBondContact O-N 2.84Å
194	T	75	Confident	69.8	Low	110 Å²	110	96 Å²	96	68%	0.675	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	135.3	175.1	46.8	0	0	0	0	109.7	F192 L196	F192-T194 PolarHBondContact O-N 2.79Å; T194-L196 PolarHBondContact O-N 2.89Å; T194-L196 VanDerWaalsContact O-N 3.1Å
195	D	68.9	Low	70	Confident	105 Å²	105	99.1 Å²	99.1	56%	0.561	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	22.2	178	-54.4	-37.5	0	0	0	114.5	P193 D197 Q198 V199	P193-D195 PolarHBondContact O-N 2.93Å; D195-D197 VanDerWaalsContact C-N 3.3Å; D195-D197 PolarHBondContact O-N 3.32Å; D195-Q198 HydrophobicContact CB-CB 4.17Å; D195-Q198 CarbonylContact O-C 3.57Å; D195-Q198 WeakPolarHBondContact O-CA 3.4Å; D195-Q198 WeakPolarHBondContact O-CB 3.36Å; D195-Q198 PolarHBondContact O-N 2.87Å; D195-V199 WeakPolarHBondContact O-CG2 3.31Å; D195-V199 PolarHBondContact O-N 2.87Å
196	L	76.3	Confident	70.8	Confident	83 Å²	83	92.1 Å²	92.1	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-55.5	-45.4	-179.2	-176.4	60.4	0	0	0	112.2	P193 T194 Q198 V199 L200	P193-L196 HydrophobicContact CB-CB 3.97Å; P193-L196 HydrophobicContact CB-CD2 4.01Å; P193-L196 HydrophobicContact CB-CG 4.4Å; P193-L196 HydrophobicContact CG-CB 4.36Å; P193-L196 HydrophobicContact CG-CD2 3.99Å; P193-L196 WeakPolarHBondContact O-CB 3.42Å; P193-L196 PolarHBondContact O-N 2.84Å; T194-L196 PolarHBondContact O-N 2.89Å; T194-L196 VanDerWaalsContact O-N 3.1Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.3Å; L196-V199 PolarHBondContact O-N 2.92Å; L196-L200 HydrophobicContact CD1-CD1 4.19Å; L196-L200 HydrophobicContact CD1-CG 4.12Å; L196-L200 HydrophobicContact CD2-CD1 4.48Å; L196-L200 HydrophobicContact CG-CD1 3.87Å; L196-L200 HydrophobicContact CG-CG 4.24Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.28Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 3.24Å
197	D	70.8	Confident	71.5	Confident	138 Å²	138	93 Å²	93	74%	0.738	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-35.8	178.8	-69.5	-31.5	0	0	0	111.9	D195 G201	D195-D197 VanDerWaalsContact C-N 3.3Å; D195-D197 PolarHBondContact O-N 3.32Å; D197-G201 PolarHBondContact O-N 2.84Å
198	Q	71.5	Confident	72.4	Confident	117 Å²	117	91.6 Å²	91.6	55%	0.547	52%	0.519	S	S	.	.	H	α-helix	trans	-69.2	-44.4	175.3	-178	178.8	2.2	0	0	110.9	D195 L196 G201 M202	D195-Q198 HydrophobicContact CB-CB 4.17Å; D195-Q198 CarbonylContact O-C 3.57Å; D195-Q198 WeakPolarHBondContact O-CA 3.4Å; D195-Q198 WeakPolarHBondContact O-CB 3.36Å; D195-Q198 PolarHBondContact O-N 2.87Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.3Å; Q198-G201 CarbonylContact O-C 3.49Å; Q198-G201 PolarHBondContact O-N 3.07Å; Q198-M202 HydrophobicContact CG-SD 4.31Å; Q198-M202 WeakPolarHBondContact O-CB 3.28Å; Q198-M202 VanDerWaalsContact O-CG 3.28Å; Q198-M202 WeakPolarHBondContact O-CG 3.09Å; Q198-M202 PolarHBondContact O-N 3.33Å
199	V	77.3	Confident	72.7	Confident	77 Å²	77	94.7 Å²	94.7	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-62.8	-45.3	175.5	173.8	0	0	0	0	110.1	D195 L196 G201 M202 V203	D195-V199 WeakPolarHBondContact O-CG2 3.31Å; D195-V199 PolarHBondContact O-N 2.87Å; L196-V199 PolarHBondContact O-N 2.92Å; V199-G201 VanDerWaalsContact C-N 3.32Å; V199-G201 PolarHBondContact O-N 2.98Å; V199-M202 PolarHBondContact O-N 2.71Å; V199-V203 HydrophobicContact CG1-CG2 4.22Å; V199-V203 WeakPolarHBondContact O-CB 3.33Å; V199-V203 WeakPolarHBondContact O-CG2 3.21Å; V199-V203 PolarHBondContact O-N 2.96Å
200	L	75.3	Confident	72.3	Confident	81 Å²	81	92.7 Å²	92.7	42%	0.424	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-39.6	175.1	-73.2	174	0	0	0	111.6	L196 V203 K204	L196-L200 HydrophobicContact CD1-CD1 4.19Å; L196-L200 HydrophobicContact CD1-CG 4.12Å; L196-L200 HydrophobicContact CD2-CD1 4.48Å; L196-L200 HydrophobicContact CG-CD1 3.87Å; L196-L200 HydrophobicContact CG-CG 4.24Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.28Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 3.24Å; L200-V203 PolarHBondContact O-N 2.7Å; L200-K204 WeakPolarHBondContact O-CB 3.27Å; L200-K204 VanDerWaalsContact O-CG 3.28Å; L200-K204 WeakPolarHBondContact O-CG 3.43Å; L200-K204 PolarHBondContact O-N 3.38Å
201	G	71.2	Confident	72.1	Confident	30 Å²	30	98.7 Å²	98.7	31%	0.309	56%	0.56	S	S	.	*	H	α-helix	trans	-61.4	-48.8	172.6	0	0	0	0	0	111.6	D197 Q198 V199 V203 K204 C205	D197-G201 PolarHBondContact O-N 2.84Å; Q198-G201 CarbonylContact O-C 3.49Å; Q198-G201 PolarHBondContact O-N 3.07Å; V199-G201 VanDerWaalsContact C-N 3.32Å; V199-G201 PolarHBondContact O-N 2.98Å; G201-V203 PolarHBondContact O-N 2.89Å; G201-K204 WeakPolarHBondContact O-CB 3.48Å; G201-K204 PolarHBondContact O-N 3.33Å; G201-C205 PolarHBondContact O-N 3.32Å; G201-C205 PolarHBondContact O-SG 2.8Å
202	M	76.3	Confident	71.3	Confident	120 Å²	120	93.9 Å²	93.9	59%	0.591	54%	0.542	S	S	*	.	H	α-helix	trans	-60.6	-44.6	176.4	-75.7	-179.7	57	0	0	111.5	Q198 V199 K204 C205 V206	Q198-M202 HydrophobicContact CG-SD 4.31Å; Q198-M202 WeakPolarHBondContact O-CB 3.28Å; Q198-M202 VanDerWaalsContact O-CG 3.28Å; Q198-M202 WeakPolarHBondContact O-CG 3.09Å; Q198-M202 PolarHBondContact O-N 3.33Å; V199-M202 PolarHBondContact O-N 2.71Å; M202-K204 PolarHBondContact O-N 2.98Å; M202-C205 CarbonylContact O-C 3.53Å; M202-C205 WeakPolarHBondContact O-CA 3.34Å; M202-C205 WeakPolarHBondContact O-CB 3.16Å; M202-C205 PolarHBondContact O-N 2.98Å; M202-V206 WeakPolarHBondContact O-CG2 3.38Å; M202-V206 PolarHBondContact O-N 3.38Å
203	V	79.5	Confident	71	Confident	77 Å²	77	93 Å²	93	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-42.9	176.4	169.7	0	0	0	0	111	V199 L200 G201 C205 V206	V199-V203 HydrophobicContact CG1-CG2 4.22Å; V199-V203 WeakPolarHBondContact O-CB 3.33Å; V199-V203 WeakPolarHBondContact O-CG2 3.21Å; V199-V203 PolarHBondContact O-N 2.96Å; L200-V203 PolarHBondContact O-N 2.7Å; G201-V203 PolarHBondContact O-N 2.89Å; V203-C205 PolarHBondContact O-N 3.37Å; V203-V206 WeakPolarHBondContact O-CB 3.47Å; V203-V206 PolarHBondContact O-N 2.92Å; V203-V206 VanDerWaalsContact O-N 3.13Å
204	K	71.9	Confident	71	Confident	181 Å²	181	90.1 Å²	90.1	79%	0.787	53%	0.533	S	S	*	.	H	α-helix	trans	-63.8	-26.8	173.1	-74.9	174.3	-178.2	178.5	0	113	L200 G201 M202	L200-K204 WeakPolarHBondContact O-CB 3.27Å; L200-K204 VanDerWaalsContact O-CG 3.28Å; L200-K204 WeakPolarHBondContact O-CG 3.43Å; L200-K204 PolarHBondContact O-N 3.38Å; G201-K204 WeakPolarHBondContact O-CB 3.48Å; G201-K204 PolarHBondContact O-N 3.33Å; M202-K204 PolarHBondContact O-N 2.98Å
205	C	69.2	Low	71.1	Confident	104 Å²	104	86.9 Å²	86.9	70%	0.703	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	0.9	176.3	-65.2	0	0	0	0	113.5	G201 M202 V203 G207	G201-C205 PolarHBondContact O-N 3.32Å; G201-C205 PolarHBondContact O-SG 2.8Å; M202-C205 CarbonylContact O-C 3.53Å; M202-C205 WeakPolarHBondContact O-CA 3.34Å; M202-C205 WeakPolarHBondContact O-CB 3.16Å; M202-C205 PolarHBondContact O-N 2.98Å; V203-C205 PolarHBondContact O-N 3.37Å; C205-G207 PolarHBondContact O-N 2.77Å; C205-G207 VanDerWaalsContact O-N 3.1Å
206	V	76.3	Confident	71.4	Confident	59 Å²	59	82 Å²	82	36%	0.358	49%	0.486	S	S	.	.	S	Bend	trans	-69.7	112.2	178.2	174.9	0	0	0	0	109.2	M84 I87 M202 V203	M84-V206 HydrophobicContact CE-CB 4.45Å; M84-V206 HydrophobicContact CE-CG1 3.61Å; I87-V206 HydrophobicContact CD1-CB 4.46Å; I87-V206 HydrophobicContact CD1-CG1 3.64Å; I87-V206 HydrophobicContact CD1-CG2 4.11Å; M202-V206 WeakPolarHBondContact O-CG2 3.38Å; M202-V206 PolarHBondContact O-N 3.38Å; V203-V206 WeakPolarHBondContact O-CB 3.47Å; V203-V206 PolarHBondContact O-N 2.92Å; V203-V206 VanDerWaalsContact O-N 3.13Å
207	G	69.5	Low	71.4	Confident	70 Å²	70	83.7 Å²	83.7	72%	0.722	49%	0.492	S	S	*	.			trans	84.8	139.5	176.5	0	0	0	0	0	113.1	C205	C205-G207 PolarHBondContact O-N 2.77Å; C205-G207 VanDerWaalsContact O-N 3.1Å
208	S	70.1	Confident	71.8	Confident	82 Å²	82	79.9 Å²	79.9	57%	0.573	47%	0.472	S	S	*	.			trans	-140.8	129.6	168.9	58	0	0	0	0	108.5	G210	S208-G210 PolarHBondContact O-N 3.37Å
209	L	66.5	Low	72.3	Confident	137 Å²	137	74.3 Å²	74.3	72%	0.717	45%	0.445	S	S	*	.			trans	-82.7	93.2	169.3	-69.4	168.6	0	0	0	107.9	I76 L211	I76-L209 HydrophobicContact CG2-CD2 3.79Å; L209-L211 PolarHBondContact O-N 2.97Å
210	G	61.8	Low	72.3	Confident	34 Å²	34	72.3 Å²	72.3	35%	0.351	44%	0.435	S	S	.	.			trans	-79.8	111.4	173.1	0	0	0	0	0	110.5	S208 F326	S208-G210 PolarHBondContact O-N 3.37Å; G210-F326 VanDerWaalsContact CA-CE2 3.42Å
211	L	62	Low	72.5	Confident	163 Å²	163	68.7 Å²	68.7	85%	0.853	42%	0.416	S	S	*	.			trans	-94.2	89.5	166.8	-67.2	174.5	0	0	0	107.8	L209	L209-L211 PolarHBondContact O-N 2.97Å
212	T	62.6	Low	72.5	Confident	46 Å²	46	67.8 Å²	67.8	28%	0.282	41%	0.405	S	S	.	.			trans	-117.9	134.5	173.2	46	0	0	0	0	112.1	V214 E262 F326	T212-V214 PolarHBondContact OG1-O 2.85Å; T212-V214 VanDerWaalsContact OG1-O 3.12Å; T212-E262 HydrophobicContact CG2-CB 4.26Å; T212-E262 HydrophobicContact CG2-CG 3.86Å; T212-E262 WeakPolarHBondContact CG2-OE1 3.25Å; T212-E262 WeakPolarHBondContact CG2-OE2 3.45Å; T212-F326 HydrophobicContact CG2-CD2 4.28Å; T212-F326 HydrophobicContact CG2-CE2 3.21Å; T212-F326 HydrophobicContact CG2-CZ 3.68Å
213	A	66.6	Low	71.9	Confident	72 Å²	72	67.5 Å²	67.5	60%	0.595	41%	0.406	S	S	*	.	S	Bend	trans	-71.4	-16.8	159.5	0	0	0	0	0	111.5	D249 V255	A213-D249 VanDerWaalsContact O-CA 3.22Å; A213-D249 WeakPolarHBondContact O-CA 3.25Å; A213-D249 WeakPolarHBondContact O-CB 3.07Å; A213-V255 HydrophobicContact CB-CG1 4.19Å; A213-V255 HydrophobicContact CB-CG2 4.32Å
214	V	73.2	Confident	70.5	Confident	7 Å²	7	68.6 Å²	68.6	4%	0.042	41%	0.409	C	S	.	.			trans	-83.7	131.5	-178.5	-173	0	0	0	0	110.6	T212 T219 T247 N248 V255 A258 F263 L325	T212-V214 PolarHBondContact OG1-O 2.85Å; T212-V214 VanDerWaalsContact OG1-O 3.12Å; V214-T219 HydrophobicContact CG1-CG2 4.43Å; V214-T219 WeakPolarHBondContact CG1-OG1 3.48Å; V214-T247 HydrophobicContact CG1-CG2 4.13Å; V214-N248 WeakPolarHBondContact CA-O 3.27Å; V214-V255 HydrophobicContact CG2-CB 4.05Å; V214-V255 HydrophobicContact CG2-CG1 3.88Å; V214-V255 HydrophobicContact CG2-CG2 4.27Å; V214-A258 HydrophobicContact CG2-CB 3.84Å; V214-F263 HydrophobicContact CG1-CZ 4.35Å; V214-L325 HydrophobicContact CB-CD2 4.35Å; V214-L325 HydrophobicContact CG1-CD2 4.17Å
215	D	77.1	Confident	69.4	Low	41 Å²	41	70.3 Å²	70.3	22%	0.219	41%	0.412	C	S	.	.			trans	-100.3	130.5	175.1	175	25.2	0	0	0	110.4	Q217 N218 T219 N248 R250	D215-Q217 VanDerWaalsContact C-N 3.27Å; D215-Q217 PolarHBondContact O-N 2.8Å; D215-Q217 PolarHBondContact OD1-N 3.38Å; D215-N218 HydrophobicContact CB-CB 4.4Å; D215-N218 PolarHBondContact O-N 3.46Å; D215-N218 PolarHBondContact OD2-ND2 3.32Å; D215-T219 VanDerWaalsContact O-CB 3.25Å; D215-T219 WeakPolarHBondContact O-CB 3.48Å; D215-T219 PolarHBondContact O-N 3.2Å; D215-T219 VanDerWaalsContact O-N 3.1Å; D215-T219 PolarHBondContact O-OG1 3.29Å; D215-N248 PolarHBondContact N-O 2.79Å; D215-R250 HydrophobicContact CB-CB 4.38Å
216	A	73.6	Confident	68.2	Low	4 Å²	4	73.4 Å²	73.4	3%	0.033	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-34.2	-179.6	0	0	0	0	0	112.2	L325 E328 I330 K331	A216-L325 HydrophobicContact CB-CB 4.21Å; A216-L325 HydrophobicContact CB-CD2 4.13Å; A216-E328 HydrophobicContact CB-CB 4.49Å; A216-I330 WeakPolarHBondContact O-CA 3.27Å; A216-K331 PolarHBondContact O-N 3.12Å
217	Q	77.5	Confident	66.5	Low	118 Å²	118	75.8 Å²	75.8	55%	0.551	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-28	-175.6	-60.8	-61.1	-24	0	0	113.3	D215 K331	D215-Q217 VanDerWaalsContact C-N 3.27Å; D215-Q217 PolarHBondContact O-N 2.8Å; D215-Q217 PolarHBondContact OD1-N 3.38Å; Q217-K331 WeakPolarHBondContact O-CB 3.39Å; Q217-K331 WeakPolarHBondContact O-CD 3.28Å
218	N	78.5	Confident	65.4	Low	58 Å²	58	81.1 Å²	81.1	31%	0.31	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-8.9	178.4	-73.3	-48.3	0	0	0	113.6	D215 N248 D249 R250	D215-N218 HydrophobicContact CB-CB 4.4Å; D215-N218 PolarHBondContact O-N 3.46Å; D215-N218 PolarHBondContact OD2-ND2 3.32Å; N218-N248 HydrophobicContact CB-CB 3.91Å; N218-N248 PolarHBondContact O-ND2 3.03Å; N218-D249 PolarHBondContact ND2-O 2.83Å; N218-R250 PolarHBondContact ND2-O 3.47Å
219	T	81.4	Confident	64.1	Low	0 Å²	0	85.1 Å²	85.1	0%	0	45%	0.445	C	S	.	.			trans	-86.2	128.7	176.1	-63.6	0	0	0	0	110.4	V214 D215 I245 I246 T247 N248 F263 I330 K331	V214-T219 HydrophobicContact CG1-CG2 4.43Å; V214-T219 WeakPolarHBondContact CG1-OG1 3.48Å; D215-T219 VanDerWaalsContact O-CB 3.25Å; D215-T219 WeakPolarHBondContact O-CB 3.48Å; D215-T219 PolarHBondContact O-N 3.2Å; D215-T219 VanDerWaalsContact O-N 3.1Å; D215-T219 PolarHBondContact O-OG1 3.29Å; T219-I245 HydrophobicContact CG2-CG2 3.68Å; T219-I246 VanDerWaalsContact CA-O 3.31Å; T219-I246 WeakPolarHBondContact CA-O 3.41Å; T219-I246 WeakPolarHBondContact CG2-O 3.19Å; T219-T247 HydrophobicContact CG2-CG2 4.1Å; T219-N248 PolarHBondContact OG1-N 3.1Å; T219-F263 HydrophobicContact CG2-CE1 4.1Å; T219-F263 HydrophobicContact CG2-CZ 4.3Å; T219-I330 HydrophobicContact CG2-CG2 4.26Å; T219-K331 WeakPolarHBondContact O-CB 3.4Å; T219-K331 PolarHBondContact O-N 3.32Å
220	S	79	Confident	63.5	Low	34 Å²	34	82.8 Å²	82.8	24%	0.238	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.7	179.9	66.7	0	0	0	0	112	I246	S220-I246 PolarHBondContact N-O 3.37Å; S220-I246 VanDerWaalsContact N-O 3.15Å; S220-I246 PolarHBondContact O-N 3.07Å
221	L	77.9	Confident	63.1	Low	5 Å²	5	84.6 Å²	84.6	3%	0.026	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	151.1	167	-69	177.6	0	0	0	110.9	V243 I245 V309 I323 Y335	L221-V243 HydrophobicContact CB-CG1 3.99Å; L221-V243 HydrophobicContact CD1-CG1 4.27Å; L221-V243 HydrophobicContact CD2-CB 4.4Å; L221-V243 HydrophobicContact CD2-CG1 3.84Å; L221-V243 HydrophobicContact CG-CG1 4.26Å; L221-I245 HydrophobicContact CD2-CG1 3.8Å; L221-V309 HydrophobicContact CD2-CG2 4.29Å; L221-I323 HydrophobicContact CD1-CD1 3.84Å; L221-I323 HydrophobicContact CD2-CD1 3.79Å; L221-I323 HydrophobicContact CG-CD1 4.05Å; L221-Y335 HydrophobicContact CD1-CD1 4.2Å; L221-Y335 HydrophobicContact CD1-CD2 3.6Å; L221-Y335 HydrophobicContact CD1-CE1 4Å; L221-Y335 HydrophobicContact CD1-CE2 3.34Å; L221-Y335 HydrophobicContact CD1-CG 4.02Å; L221-Y335 HydrophobicContact CG-CE1 4.45Å; L221-Y335 HydrophobicContact CG-CE2 3.79Å; L221-Y335 PolarHBondContact N-OH 2.99Å
222	S	72.4	Confident	62.9	Low	11 Å²	11	80.2 Å²	80.2	8%	0.077	42%	0.423	C	S	.	.			trans	-67.2	124.8	172.1	50.2	0	0	0	0	111.4	N224 R233 D244	S222-N224 VanDerWaalsContact C-N 3.27Å; S222-N224 PolarHBondContact O-N 3.49Å; S222-R233 PolarHBondContact O-NH2 2.74Å; S222-D244 WeakPolarHBondContact CB-O 3.39Å; S222-D244 PolarHBondContact N-O 2.94Å; S222-D244 WeakPolarHBondContact OG-CB 3.45Å; S222-D244 PolarHBondContact OG-N 3.07Å; S222-D244 VanDerWaalsContact OG-N 3.14Å; S222-D244 PolarHBondContact OG-O 2.96Å
223	D	63.9	Low	63.3	Low	115 Å²	115	80.2 Å²	80.2	62%	0.615	42%	0.417	S	S	*	.			trans	-79.3	73	174.7	-70.6	-25.5	0	0	0	110.4
224	N	50	Low	63.6	Low	100 Å²	100	85.5 Å²	85.5	54%	0.535	42%	0.422	S	S	.	.			trans	-83.4	120.6	161.2	-72.6	-21.1	0	0	0	106.9	S222	S222-N224 VanDerWaalsContact C-N 3.27Å; S222-N224 PolarHBondContact O-N 3.49Å
225	Y	48	Very low	63.8	Low	217 Å²	217	85.6 Å²	85.6	85%	0.851	42%	0.423	S	S	*	.	S	Bend	trans	111.7	131.5	175.6	-60	-70	0	0	0	116.4	D227	Y225-D227 PolarHBondContact O-N 2.94Å
226	L	44.9	Very low	63.8	Low	168 Å²	168	89 Å²	89	88%	0.88	44%	0.437	S	S	*	.	S	Bend	trans	-63.2	4.1	-169.5	-121.7	83.9	0	0	0	116.6	H228	L226-H228 PolarHBondContact O-N 3.25Å; L226-H228 PolarHBondContact O-ND1 3.41Å
227	D	40.7	Very low	63.9	Low	110 Å²	110	89.4 Å²	89.4	59%	0.588	44%	0.441	S	S	*	.			trans	-84.5	112.9	-174.7	-93	-14.2	0	0	0	110.7	Y225 F229	Y225-D227 PolarHBondContact O-N 2.94Å; D227-F229 PolarHBondContact O-N 3.28Å
228	H	44.9	Very low	63.9	Low	181 Å²	181	88.1 Å²	88.1	84%	0.838	44%	0.438	S	S	*	.	S	Bend	trans	-65	21.6	-179.7	-83.5	54.7	0	0	0	115	L226	L226-H228 PolarHBondContact O-N 3.25Å; L226-H228 PolarHBondContact O-ND1 3.41Å
229	F	43.1	Very low	63.8	Low	167 Å²	167	89.8 Å²	89.8	73%	0.732	44%	0.444	S	S	*	.			trans	-122.1	79.9	176.2	-68.3	-78.2	0	0	0	110.3	D227 S231 V232	D227-F229 PolarHBondContact O-N 3.28Å; F229-S231 PolarHBondContact O-N 2.88Å; F229-V232 PolarHBondContact O-N 3.24Å; F229-V232 VanDerWaalsContact O-N 3.14Å
230	V	53.9	Low	63.6	Low	87 Å²	87	95 Å²	95	53%	0.527	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-25.8	-176.8	-179.6	0	0	0	0	114.2
231	S	54.8	Low	63.6	Low	73 Å²	73	94.6 Å²	94.6	51%	0.51	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-15.8	-173.7	-51.5	0	0	0	0	115.5	F229 C336	F229-S231 PolarHBondContact O-N 2.88Å; S231-C336 WeakPolarHBondContact O-CB 3.19Å; S231-C336 PolarHBondContact O-N 2.94Å
232	V	57.9	Low	63.6	Low	70 Å²	70	100.3 Å²	100.3	42%	0.424	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.4	-174.1	-172.6	0	0	0	0	111.1	F229 C336	F229-V232 PolarHBondContact O-N 3.24Å; F229-V232 VanDerWaalsContact O-N 3.14Å; V232-C336 CarbonylContact C-O 3.59Å; V232-C336 VanDerWaalsContact CA-O 3.29Å; V232-C336 WeakPolarHBondContact CA-O 3.32Å; V232-C336 HydrophobicContact CG2-CB 4.2Å
233	R	71	Confident	64	Low	46 Å²	46	99.9 Å²	99.9	17%	0.174	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.1	172.4	-73.5	-162.9	177.1	-160	2.1	111.6	S222 C336 I337 S338	S222-R233 PolarHBondContact O-NH2 2.74Å; R233-C336 PolarHBondContact N-O 2.89Å; R233-I337 CarbonylContact O-C 3.52Å; R233-I337 WeakPolarHBondContact O-CA 3.47Å; R233-S338 PolarHBondContact O-N 3.5Å
234	R	72.2	Confident	64.8	Low	183 Å²	183	97.2 Å²	97.2	69%	0.691	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.9	174	-64.2	-178	-179	168.4	2.1	110.1	S338	R234-S338 VanDerWaalsContact CA-O 3.32Å; R234-S338 WeakPolarHBondContact CA-O 3.45Å
235	C	77	Confident	66.3	Low	9 Å²	9	92.8 Å²	92.8	6%	0.061	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.2	171	65.2	0	0	0	0	111.6	V241 S338 V339 D340	C235-V241 HydrophobicContact CB-CG2 3.79Å; C235-S338 PolarHBondContact N-O 2.86Å; C235-V339 WeakPolarHBondContact O-CA 3.49Å; C235-D340 PolarHBondContact O-N 3.32Å
236	Q	77.9	Confident	67.8	Low	112 Å²	112	85.7 Å²	85.7	52%	0.523	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	149.7	175.4	-61.8	-169	-10.6	0	0	111.4	N238 E239	Q236-N238 PolarHBondContact O-N 3.16Å; Q236-E239 HydrophobicContact CB-CB 4.32Å; Q236-E239 PolarHBondContact N-OE2 3.4Å; Q236-E239 WeakPolarHBondContact O-CB 3.17Å; Q236-E239 PolarHBondContact O-N 3.34Å; Q236-E239 VanDerWaalsContact O-N 3.11Å
237	A	74.8	Confident	69.4	Low	13 Å²	13	77.7 Å²	77.7	11%	0.107	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	135.6	175.2	0	0	0	0	0	111.2	E239 V339 D340	A237-E239 VanDerWaalsContact C-N 3.25Å; A237-E239 PolarHBondContact O-N 3.36Å; A237-V339 HydrophobicContact CB-CG1 3.99Å; A237-D340 PolarHBondContact N-O 3.47Å; A237-D340 VanDerWaalsContact N-O 3.12Å
238	N	77	Confident	71.3	Confident	92 Å²	92	73.8 Å²	73.8	49%	0.492	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	7.8	-173.5	-64.2	-44.2	0	0	0	116.7	Q236 K312 I313 S314	Q236-N238 PolarHBondContact O-N 3.16Å; N238-K312 VanDerWaalsContact O-CE 3.3Å; N238-K312 WeakPolarHBondContact O-CE 3.46Å; N238-I313 PolarHBondContact N-O 3.04Å; N238-S314 WeakPolarHBondContact OD1-CA 3.38Å
239	E	77.2	Confident	72.7	Confident	93 Å²	93	66 Å²	66	44%	0.435	33%	0.326	S	S	.	.			trans	-75.5	135.9	169.3	-165.6	177.2	-179.3	0	0	110.5	Q236 A237 V241	Q236-E239 HydrophobicContact CB-CB 4.32Å; Q236-E239 PolarHBondContact N-OE2 3.4Å; Q236-E239 WeakPolarHBondContact O-CB 3.17Å; Q236-E239 PolarHBondContact O-N 3.34Å; Q236-E239 VanDerWaalsContact O-N 3.11Å; A237-E239 VanDerWaalsContact C-N 3.25Å; A237-E239 PolarHBondContact O-N 3.36Å; E239-V241 HydrophobicContact CG-CG2 4.43Å
240	E	76.9	Confident	73.9	Confident	109 Å²	109	68.2 Å²	68.2	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.4	173.3	-175.4	-176.4	157.4	0	0	108.7	K242 V310	E240-K242 WeakPolarHBondContact OE1-CE 3.4Å; E240-K242 IonicContact OE1-NZ 3.72Å; E240-V310 HydrophobicContact CG-CG1 3.62Å; E240-V310 WeakPolarHBondContact OE1-CG1 3.37Å
241	V	80.2	Confident	74.7	Confident	26 Å²	26	70.3 Å²	70.3	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.7	-179.5	-176.5	0	0	0	0	109	C235 E239 V243 V310 Y311	C235-V241 HydrophobicContact CB-CG2 3.79Å; E239-V241 HydrophobicContact CG-CG2 4.43Å; V241-V243 HydrophobicContact CG1-CG2 3.9Å; V241-V310 WeakPolarHBondContact O-CA 3.28Å; V241-Y311 HydrophobicContact CB-CD2 4.38Å; V241-Y311 HydrophobicContact CB-CE1 4.18Å; V241-Y311 HydrophobicContact CB-CE2 3.82Å; V241-Y311 HydrophobicContact CG1-CE1 4.15Å; V241-Y311 HydrophobicContact CG1-CE2 4.38Å; V241-Y311 HydrophobicContact CG2-CE2 4.1Å; V241-Y311 PolarHBondContact N-O 2.83Å; V241-Y311 PolarHBondContact O-N 2.92Å; V241-Y311 VanDerWaalsContact O-N 3.1Å
242	K	77.7	Confident	75.2	Confident	124 Å²	124	68.8 Å²	68.8	54%	0.539	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.9	175.9	-55.3	-171.4	177.4	177.4	0	109.2	E240 V310	E240-K242 WeakPolarHBondContact OE1-CE 3.4Å; E240-K242 IonicContact OE1-NZ 3.72Å; K242-V310 HydrophobicContact CB-CG2 4.4Å; K242-V310 HydrophobicContact CD-CG2 4.33Å; K242-V310 HydrophobicContact CG-CG1 4.16Å; K242-V310 HydrophobicContact CG-CG2 3.92Å
243	V	80.2	Confident	75.9	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.7	-176.6	-168.6	0	0	0	0	110.2	L221 V241 Q308 V309 Y311	L221-V243 HydrophobicContact CB-CG1 3.99Å; L221-V243 HydrophobicContact CD1-CG1 4.27Å; L221-V243 HydrophobicContact CD2-CB 4.4Å; L221-V243 HydrophobicContact CD2-CG1 3.84Å; L221-V243 HydrophobicContact CG-CG1 4.26Å; V241-V243 HydrophobicContact CG1-CG2 3.9Å; V243-Q308 CarbonylContact O-C 3.52Å; V243-Q308 VanDerWaalsContact O-CA 3.28Å; V243-Q308 WeakPolarHBondContact O-CA 3.41Å; V243-V309 PolarHBondContact N-O 2.89Å; V243-V309 PolarHBondContact O-N 2.89Å; V243-Y311 HydrophobicContact CG2-CE1 3.92Å
244	D	79.8	Confident	75.8	Confident	58 Å²	58	74 Å²	74	31%	0.31	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.5	177.3	-55.6	-33.8	0	0	0	110.6	S222 Q308	S222-D244 WeakPolarHBondContact CB-O 3.39Å; S222-D244 PolarHBondContact N-O 2.94Å; S222-D244 WeakPolarHBondContact OG-CB 3.45Å; S222-D244 PolarHBondContact OG-N 3.07Å; S222-D244 VanDerWaalsContact OG-N 3.14Å; S222-D244 PolarHBondContact OG-O 2.96Å; D244-Q308 WeakPolarHBondContact OD1-CG 3.19Å; D244-Q308 PolarHBondContact OD1-NE2 2.79Å
245	I	81.4	Confident	75.8	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125	170.7	-59.3	163.4	0	0	0	108.6	T219 L221 T247 F263 N305 L307 V309	T219-I245 HydrophobicContact CG2-CG2 3.68Å; L221-I245 HydrophobicContact CD2-CG1 3.8Å; I245-T247 HydrophobicContact CG2-CG2 3.85Å; I245-T247 PolarHBondContact O-N 2.63Å; I245-F263 HydrophobicContact CG2-CE1 4.46Å; I245-N305 PolarHBondContact O-ND2 3.32Å; I245-N305 VanDerWaalsContact O-ND2 3.14Å; I245-L307 HydrophobicContact CB-CB 4.31Å; I245-L307 HydrophobicContact CD1-CB 4.19Å; I245-L307 PolarHBondContact N-O 2.8Å; I245-V309 HydrophobicContact CD1-CG2 3.55Å; I245-V309 HydrophobicContact CG1-CG2 3.83Å
246	I	79.8	Confident	75.2	Confident	67 Å²	67	69.3 Å²	69.3	34%	0.344	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	100.8	171.7	-54.5	174.9	0	0	0	107.9	T219 S220	T219-I246 VanDerWaalsContact CA-O 3.31Å; T219-I246 WeakPolarHBondContact CA-O 3.41Å; T219-I246 WeakPolarHBondContact CG2-O 3.19Å; S220-I246 PolarHBondContact N-O 3.37Å; S220-I246 VanDerWaalsContact N-O 3.15Å; S220-I246 PolarHBondContact O-N 3.07Å
247	T	80	Confident	74.6	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.006	37%	0.372	C	S	.	.			trans	-88	119.7	177.3	48.2	0	0	0	0	111.3	V214 T219 I245 V255 A258 F263 N305 L307	V214-T247 HydrophobicContact CG1-CG2 4.13Å; T219-T247 HydrophobicContact CG2-CG2 4.1Å; I245-T247 HydrophobicContact CG2-CG2 3.85Å; I245-T247 PolarHBondContact O-N 2.63Å; T247-V255 PolarHBondContact O-N 3.44Å; T247-V255 PolarHBondContact OG1-O 3Å; T247-A258 HydrophobicContact CG2-CB 3.64Å; T247-F263 HydrophobicContact CG2-CE2 4.27Å; T247-F263 HydrophobicContact CG2-CZ 3.76Å; T247-N305 PolarHBondContact N-ND2 2.86Å; T247-N305 VanDerWaalsContact N-ND2 3.16Å; T247-N305 PolarHBondContact OG1-ND2 2.81Å; T247-L307 HydrophobicContact CG2-CD1 4.21Å
248	N	80.3	Confident	74.3	Confident	28 Å²	28	71.5 Å²	71.5	15%	0.15	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-123	151.3	-179.9	-65.9	-30.1	0	0	0	111.1	V214 D215 N218 T219 R253	V214-N248 WeakPolarHBondContact CA-O 3.27Å; D215-N248 PolarHBondContact N-O 2.79Å; N218-N248 HydrophobicContact CB-CB 3.91Å; N218-N248 PolarHBondContact O-ND2 3.03Å; T219-N248 PolarHBondContact OG1-N 3.1Å; N248-R253 CarbonylContact C-O 3.52Å; N248-R253 VanDerWaalsContact CA-O 3.25Å; N248-R253 WeakPolarHBondContact CA-O 3.47Å
249	D	73.1	Confident	73.9	Confident	18 Å²	18	69.3 Å²	69.3	10%	0.096	37%	0.366	C	S	.	.			trans	-78	176.9	169.1	76.2	2.4	0	0	0	111.8	A213 N218 L251 G252 R253 V255	A213-D249 VanDerWaalsContact O-CA 3.22Å; A213-D249 WeakPolarHBondContact O-CA 3.25Å; A213-D249 WeakPolarHBondContact O-CB 3.07Å; N218-D249 PolarHBondContact ND2-O 2.83Å; D249-L251 PolarHBondContact O-N 2.98Å; D249-L251 VanDerWaalsContact O-N 3.12Å; D249-L251 VanDerWaalsContact OD1-C 3.27Å; D249-L251 VanDerWaalsContact OD1-CA 3.29Å; D249-L251 WeakPolarHBondContact OD1-CA 3.13Å; D249-L251 WeakPolarHBondContact OD1-CB 3.47Å; D249-L251 PolarHBondContact OD1-N 3.11Å; D249-G252 PolarHBondContact O-N 3.22Å; D249-G252 PolarHBondContact OD1-N 2.85Å; D249-R253 PolarHBondContact N-O 3.44Å; D249-R253 PolarHBondContact OD1-N 3.3Å; D249-R253 IonicContact OD1-NE 3.29Å; D249-R253 IonicContact OD2-CZ 2.69Å; D249-R253 IonicContact OD2-NE 3.69Å; D249-R253 PolarHBondContact OD2-NE 2.99Å; D249-R253 IonicContact OD2-NH2 3.31Å; D249-R253 PolarHBondContact OD2-NH2 2.72Å; D249-V255 HydrophobicContact CB-CG2 3.94Å
250	R	68.7	Low	73.4	Confident	212 Å²	212	68.9 Å²	68.9	80%	0.8	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.5	177.3	-176.6	174.6	173.3	156	0	113.7	D215 N218	D215-R250 HydrophobicContact CB-CB 4.38Å; N218-R250 PolarHBondContact ND2-O 3.47Å
251	L	70.5	Confident	72.9	Confident	132 Å²	132	72.7 Å²	72.7	69%	0.691	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	2.6	177.6	-60.3	177	0	0	0	112.3	D249 R253	D249-L251 PolarHBondContact O-N 2.98Å; D249-L251 VanDerWaalsContact O-N 3.12Å; D249-L251 VanDerWaalsContact OD1-C 3.27Å; D249-L251 VanDerWaalsContact OD1-CA 3.29Å; D249-L251 WeakPolarHBondContact OD1-CA 3.13Å; D249-L251 WeakPolarHBondContact OD1-CB 3.47Å; D249-L251 PolarHBondContact OD1-N 3.11Å; L251-R253 HydrophobicContact CB-CG 4.45Å
252	G	66.7	Low	72.4	Confident	40 Å²	40	73.1 Å²	73.1	41%	0.412	39%	0.389	S	S	.	.	S	Bend	trans	80.1	12.3	-179.4	0	0	0	0	0	114.7	D249	D249-G252 PolarHBondContact O-N 3.22Å; D249-G252 PolarHBondContact OD1-N 2.85Å
253	R	71.9	Confident	72.5	Confident	155 Å²	155	68.3 Å²	68.3	59%	0.585	37%	0.368	S	S	*	.			trans	-85	139.9	177.9	-57.6	178.2	-63.2	-172.7	2.3	110.4	N248 D249 L251 V255	N248-R253 CarbonylContact C-O 3.52Å; N248-R253 VanDerWaalsContact CA-O 3.25Å; N248-R253 WeakPolarHBondContact CA-O 3.47Å; D249-R253 PolarHBondContact N-O 3.44Å; D249-R253 PolarHBondContact OD1-N 3.3Å; D249-R253 IonicContact OD1-NE 3.29Å; D249-R253 IonicContact OD2-CZ 2.69Å; D249-R253 IonicContact OD2-NE 3.69Å; D249-R253 PolarHBondContact OD2-NE 2.99Å; D249-R253 IonicContact OD2-NH2 3.31Å; D249-R253 PolarHBondContact OD2-NH2 2.72Å; L251-R253 HydrophobicContact CB-CG 4.45Å; R253-V255 PolarHBondContact O-N 3.38Å
254	A	69.1	Low	72.3	Confident	70 Å²	70	71 Å²	71	58%	0.579	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-64.8	128.8	178.8	0	0	0	0	0	111.6
255	V	72.2	Confident	72.3	Confident	23 Å²	23	71.7 Å²	71.7	14%	0.139	39%	0.393	C	S	.	.			trans	-99.5	109.3	178.6	179.2	0	0	0	0	109.3	A213 V214 T247 D249 R253 N257	A213-V255 HydrophobicContact CB-CG1 4.19Å; A213-V255 HydrophobicContact CB-CG2 4.32Å; V214-V255 HydrophobicContact CG2-CB 4.05Å; V214-V255 HydrophobicContact CG2-CG1 3.88Å; V214-V255 HydrophobicContact CG2-CG2 4.27Å; T247-V255 PolarHBondContact O-N 3.44Å; T247-V255 PolarHBondContact OG1-O 3Å; D249-V255 HydrophobicContact CB-CG2 3.94Å; R253-V255 PolarHBondContact O-N 3.38Å; V255-N257 PolarHBondContact O-N 2.93Å
256	A	63.9	Low	72.3	Confident	72 Å²	72	76.2 Å²	76.2	60%	0.595	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.3	-175.8	0	0	0	0	0	114.7
257	N	65.7	Low	72.4	Confident	151 Å²	151	76 Å²	76	81%	0.807	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	32.1	-170.1	-62.9	-11	0	0	0	113.4	V255	V255-N257 PolarHBondContact O-N 2.93Å
258	A	68.4	Low	72.4	Confident	20 Å²	20	78.1 Å²	78.1	17%	0.165	43%	0.429	C	S	.	.			trans	-66.9	136.9	177.9	0	0	0	0	0	111.5	V214 T247 L307	V214-A258 HydrophobicContact CG2-CB 3.84Å; T247-A258 HydrophobicContact CG2-CB 3.64Å; A258-L307 HydrophobicContact CB-CD1 3.57Å
259	S	68.9	Low	72.3	Confident	45 Å²	45	83 Å²	83	32%	0.315	45%	0.451	S	S	.	.			trans	-100.1	135.9	-176.3	174.8	0	0	0	0	111.5	K261 E262 F263	S259-K261 PolarHBondContact O-N 3.06Å; S259-K261 VanDerWaalsContact O-N 3.12Å; S259-K261 PolarHBondContact OG-N 3.31Å; S259-E262 PolarHBondContact N-OE2 3.25Å; S259-E262 PolarHBondContact O-N 2.99Å; S259-F263 WeakPolarHBondContact O-CD2 3.45Å
260	S	66.9	Low	72.3	Confident	84 Å²	84	86.8 Å²	86.8	59%	0.587	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-62.8	-20.5	177.3	57.9	0	0	0	0	113.6	E262 F263	S260-E262 PolarHBondContact O-N 3.26Å; S260-F263 PolarHBondContact O-N 3.14Å
261	K	65.9	Low	71.7	Confident	189 Å²	189	81.3 Å²	81.3	82%	0.822	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-70	-18.8	179.2	-65.2	-176.3	179.4	178.7	0	113.8	S259 F263	S259-K261 PolarHBondContact O-N 3.06Å; S259-K261 VanDerWaalsContact O-N 3.12Å; S259-K261 PolarHBondContact OG-N 3.31Å; K261-F263 VanDerWaalsContact C-N 3.33Å
262	E	70.1	Confident	70.8	Confident	35 Å²	35	82.2 Å²	82.2	16%	0.164	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-82.3	-21	-177.5	-58.2	164.7	174.3	0	0	111.1	T212 S259 S260 L325 F326	T212-E262 HydrophobicContact CG2-CB 4.26Å; T212-E262 HydrophobicContact CG2-CG 3.86Å; T212-E262 WeakPolarHBondContact CG2-OE1 3.25Å; T212-E262 WeakPolarHBondContact CG2-OE2 3.45Å; S259-E262 PolarHBondContact N-OE2 3.25Å; S259-E262 PolarHBondContact O-N 2.99Å; S260-E262 PolarHBondContact O-N 3.26Å; E262-L325 HydrophobicContact CB-CD1 3.65Å; E262-F326 HydrophobicContact CB-CE1 4.25Å; E262-F326 HydrophobicContact CB-CE2 4.33Å; E262-F326 HydrophobicContact CB-CZ 3.95Å; E262-F326 HydrophobicContact CG-CE1 4.23Å; E262-F326 HydrophobicContact CG-CE2 4.39Å; E262-F326 HydrophobicContact CG-CZ 3.72Å; E262-F326 PolarHBondContact O-N 3.45Å
263	F	78.9	Confident	69.4	Low	24 Å²	24	84.8 Å²	84.8	11%	0.105	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.7	-178.2	-63.8	-90.3	0	0	0	111.3	V214 T219 I245 T247 S259 S260 K261 L307 I323 K324 L325 I330	V214-F263 HydrophobicContact CG1-CZ 4.35Å; T219-F263 HydrophobicContact CG2-CE1 4.1Å; T219-F263 HydrophobicContact CG2-CZ 4.3Å; I245-F263 HydrophobicContact CG2-CE1 4.46Å; T247-F263 HydrophobicContact CG2-CE2 4.27Å; T247-F263 HydrophobicContact CG2-CZ 3.76Å; S259-F263 WeakPolarHBondContact O-CD2 3.45Å; S260-F263 PolarHBondContact O-N 3.14Å; K261-F263 VanDerWaalsContact C-N 3.33Å; F263-L307 HydrophobicContact CD2-CD1 4.09Å; F263-L307 HydrophobicContact CE2-CD1 3.67Å; F263-L307 HydrophobicContact CZ-CD1 4.49Å; F263-I323 HydrophobicContact CD1-CG2 4.2Å; F263-K324 CarbonylContact C-O 3.52Å; F263-K324 WeakPolarHBondContact CA-O 3.43Å; F263-L325 HydrophobicContact CD1-CB 4.48Å; F263-L325 HydrophobicContact CD1-CD1 4.1Å; F263-L325 HydrophobicContact CD2-CD1 4.25Å; F263-L325 HydrophobicContact CE1-CB 4.34Å; F263-L325 HydrophobicContact CE1-CD1 3.79Å; F263-L325 HydrophobicContact CE2-CD1 3.93Å; F263-L325 HydrophobicContact CG-CD1 4.33Å; F263-L325 HydrophobicContact CZ-CD1 3.7Å; F263-I330 HydrophobicContact CE1-CG2 4.2Å
264	S	75.4	Confident	67.7	Low	59 Å²	59	86.7 Å²	86.7	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.7	167.1	51.1	0	0	0	0	108.7	I323 K324	S264-I323 WeakPolarHBondContact O-CA 3.25Å; S264-K324 PolarHBondContact N-O 3.01Å; S264-K324 PolarHBondContact O-N 2.86Å; S264-K324 WeakPolarHBondContact OG-CB 3.32Å; S264-K324 PolarHBondContact OG-O 3.47Å
265	V	81.5	Confident	65.7	Low	73 Å²	73	91.6 Å²	91.6	44%	0.442	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.8	-179.8	-176.2	0	0	0	0	108.4	V309 L321 R322 I323	V265-V309 HydrophobicContact CG1-CG1 4.02Å; V265-V309 HydrophobicContact CG2-CG2 4.41Å; V265-L321 HydrophobicContact CG1-CD1 3.67Å; V265-R322 CarbonylContact C-O 3.42Å; V265-R322 WeakPolarHBondContact CA-O 3.34Å; V265-I323 HydrophobicContact CG1-CG1 4.16Å; V265-I323 HydrophobicContact CG2-CG1 4.19Å; V265-I323 HydrophobicContact CG2-CG2 4.29Å
266	L	81.4	Confident	63.7	Low	102 Å²	102	99.8 Å²	99.8	53%	0.534	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.8	178.4	-176.5	70.6	0	0	0	109.4	T268 R322	L266-T268 HydrophobicContact CD2-CG2 3.93Å; L266-T268 HydrophobicContact CG-CG2 3.99Å; L266-R322 HydrophobicContact CB-CB 4.36Å; L266-R322 PolarHBondContact N-O 2.78Å; L266-R322 WeakPolarHBondContact O-CB 3.4Å; L266-R322 PolarHBondContact O-N 2.87Å
267	L	81.7	Confident	62.2	Low	64 Å²	64	102.3 Å²	102.3	34%	0.335	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.7	176.3	-177.2	68.5	0	0	0	109.2	I313 Y319 L321 I337	L267-I313 HydrophobicContact CD1-CD1 4.43Å; L267-I313 HydrophobicContact CD2-CD1 4Å; L267-I313 HydrophobicContact CD2-CG1 3.8Å; L267-Y319 HydrophobicContact CG-CD1 4.34Å; L267-L321 HydrophobicContact CB-CD1 4.5Å; L267-L321 HydrophobicContact CD1-CB 4.06Å; L267-L321 HydrophobicContact CD1-CD1 4.19Å; L267-I337 HydrophobicContact CD1-CD1 4.03Å
268	T	78.7	Confident	60.5	Low	44 Å²	44	98.6 Å²	98.6	27%	0.27	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.1	-178.3	52.1	0	0	0	0	111.2	L266 Y319 D320	L266-T268 HydrophobicContact CD2-CG2 3.93Å; L266-T268 HydrophobicContact CG-CG2 3.99Å; T268-Y319 CarbonylContact O-C 3.59Å; T268-Y319 WeakPolarHBondContact O-CA 3.16Å; T268-D320 PolarHBondContact N-O 3.19Å; T268-D320 PolarHBondContact O-N 2.85Å; T268-D320 PolarHBondContact OG1-O 2.86Å
269	Q	78.2	Confident	58.8	Low	131 Å²	131	105.3 Å²	105.3	61%	0.612	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.5	129.6	173.9	-171	177.2	-0.3	0	0	110.3	S271 Y319	Q269-S271 PolarHBondContact O-N 3.04Å; Q269-Y319 HydrophobicContact CB-CD1 3.82Å; Q269-Y319 HydrophobicContact CB-CE1 3.61Å; Q269-Y319 HydrophobicContact CG-CD1 4.19Å; Q269-Y319 HydrophobicContact CG-CE1 3.75Å
270	K	72.9	Confident	56.9	Low	97 Å²	97	112.3 Å²	112.3	42%	0.422	61%	0.606	S	S	.	*			trans	-83.6	110.8	178	-138.7	173.4	-167.2	144.5	0	108.9	I272 L318 D320	K270-I272 PolarHBondContact O-N 3.04Å; K270-L318 HydrophobicContact CB-CB 4.2Å; K270-L318 WeakPolarHBondContact CB-O 3.45Å; K270-L318 PolarHBondContact N-O 2.82Å; K270-D320 IonicContact NZ-OD1 3.9Å; K270-D320 PolarHBondContact NZ-OD1 3.04Å; K270-D320 IonicContact NZ-OD2 2.78Å; K270-D320 PolarHBondContact NZ-OD2 3.47Å
271	S	57.7	Low	55	Low	97 Å²	97	117.5 Å²	117.5	68%	0.678	62%	0.621	S	S	*	*			trans	-71.1	120.7	171.2	50.6	0	0	0	0	109.3	Q269 S273	Q269-S271 PolarHBondContact O-N 3.04Å; S271-S273 PolarHBondContact O-N 2.86Å
272	I	50.7	Low	53	Low	151 Å²	151	117 Å²	117	77%	0.774	62%	0.619	S	S	*	*	S	Bend	trans	-71.9	79.2	173.5	-54.3	166.4	0	0	0	107.4	K270	K270-I272 PolarHBondContact O-N 3.04Å
273	S	37.7	Very low	50.9	Low	95 Å²	95	124.8 Å²	124.8	66%	0.664	66%	0.655	S	S	*	*			trans	-154	60.6	177.3	-60.6	0	0	0	0	109.2	S271	S271-S273 PolarHBondContact O-N 2.86Å
274	E	35.8	Very low	48.5	Very low	194 Å²	194	129.2 Å²	129.2	91%	0.907	68%	0.679	S	S	*	*			trans	-167.3	86	162	-104.5	162.4	-143.1	0	0	106.7
275	M	27.3	Very low	46.2	Very low	174 Å²	174	132 Å²	132	86%	0.857	70%	0.698	S	S	*	*			trans	-90.3	94.7	165.2	-77.7	-171.7	99	0	0	107.6
276	E	30.7	Very low	43.6	Very low	195 Å²	195	135.6 Å²	135.6	91%	0.911	72%	0.715	S	S	*	*			trans	-117.1	112.5	150.9	-77.7	-167.6	161.7	0	0	107.8
277	V	31.1	Very low	41	Very low	125 Å²	125	136.4 Å²	136.4	76%	0.758	73%	0.729	S	S	*	*			trans	-102.6	109.5	176.5	179.1	0	0	0	0	106.8
278	G	31.1	Very low	38.2	Very low	73 Å²	73	136.9 Å²	136.9	75%	0.753	75%	0.749	S	S	*	*			trans	-122.6	125.4	171.8	0	0	0	0	0	110.3
279	I	31.5	Very low	35.7	Very low	160 Å²	160	140.1 Å²	140.1	82%	0.821	77%	0.774	S	S	*	*			trans	-92.4	123.3	170.6	-60.9	171	0	0	0	106.7
280	Q	30.5	Very low	33	Very low	193 Å²	193	138.9 Å²	138.9	90%	0.902	78%	0.78	S	S	*	*			trans	-122.1	134.6	167.6	-79	-173.3	-4.1	0	0	110.4
281	E	26.9	Very low	30.6	Very low	193 Å²	193	141.5 Å²	141.5	90%	0.902	80%	0.797	S	S	*	*			trans	-71.5	148.7	-170	-76.8	179.6	151.4	0	0	114
282	K	24.2	Very low	29	Very low	179 Å²	179	142.4 Å²	142.4	78%	0.778	80%	0.804	S	S	*	*			trans	-73.4	117	-172.7	-163.3	-178.4	-171.1	-177.7	0	110.8	I284	K282-I284 HydrophobicContact CD-CD1 4.43Å; K282-I284 HydrophobicContact CD-CG1 4.04Å; K282-I284 HydrophobicContact CG-CG1 4.02Å
283	Q	25.8	Very low	27.6	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	80%	0.797	S	S	*	*			trans	-87.9	110	156.6	-70.7	-154.1	-5.3	0	0	109.1
284	I	27.4	Very low	26.9	Very low	117 Å²	117	145.7 Å²	145.7	60%	0.6	80%	0.802	S	S	*	*			trans	-80.5	118.1	173.9	-62.3	165	0	0	0	106.5	K282	K282-I284 HydrophobicContact CD-CD1 4.43Å; K282-I284 HydrophobicContact CD-CG1 4.04Å; K282-I284 HydrophobicContact CG-CG1 4.02Å
285	S	28.3	Very low	26.3	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	80%	0.796	S	S	*	*			trans	-121.5	104.9	154.6	58.6	0	0	0	0	107.3
286	D	25.3	Very low	26.2	Very low	149 Å²	149	140 Å²	140	80%	0.797	79%	0.79	S	S	*	*			trans	-57.7	130.1	173.4	-71.5	-44.6	0	0	0	111.5
287	S	27.6	Very low	26	Very low	119 Å²	119	138.1 Å²	138.1	83%	0.832	78%	0.781	S	S	*	*			trans	-148.6	90.4	140.4	53.3	0	0	0	0	108.2
288	G	22.6	Very low	25.6	Very low	74 Å²	74	137.9 Å²	137.9	76%	0.763	78%	0.775	S	S	*	*			trans	-64.6	137.2	165.3	0	0	0	0	0	110.7
289	S	26.7	Very low	25.5	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	78%	0.78	S	S	*	*			trans	-161.6	91.4	142.1	36.3	0	0	0	0	108.6
290	S	22	Very low	25.2	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	77%	0.774	S	S	*	*				36.3	113.3	122	-48.4	0	0	0	0	118.8
291	L	22.5	Very low	25.2	Very low	152 Å²	152	134.5 Å²	134.5	80%	0.796	77%	0.767	S	S	*	*				48	108	122.4	-73.3	155.9	0	0	0	118.6	L293	L291-L293 HydrophobicContact CD2-CD1 4.33Å; L291-L293 HydrophobicContact CD2-CG 4.42Å
292	S	23.6	Very low	25.6	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	76%	0.76	S	S	*	*			trans	-152.5	96.4	136.6	50.2	0	0	0	0	107
293	L	21.2	Very low	26.1	Very low	119 Å²	119	132.1 Å²	132.1	62%	0.623	76%	0.762	S	S	*	*				45.8	107.4	79	-71.2	165.7	0	0	0	113.9	L291	L291-L293 HydrophobicContact CD2-CD1 4.33Å; L291-L293 HydrophobicContact CD2-CG 4.42Å
294	Y	22.7	Very low	26.6	Very low	196 Å²	196	124.4 Å²	124.4	77%	0.769	74%	0.735	S	S	*	*			trans	60.8	103.4	158.4	-55	-70.8	0	0	0	118.1
295	S	24.1	Very low	27.8	Very low	114 Å²	114	120.5 Å²	120.5	80%	0.797	72%	0.716	S	S	*	*			trans	-120.2	90.3	131.5	-171.9	0	0	0	0	108.1	H297	S295-H297 PolarHBondContact O-N 3.35Å
296	N	24.5	Very low	29.4	Very low	134 Å²	134	122.1 Å²	122.1	72%	0.717	72%	0.715	S	S	*	*			trans	-60.9	116.9	144.4	-89.6	-20.4	0	0	0	105.4
297	H	26.5	Very low	31.7	Very low	156 Å²	156	116 Å²	116	72%	0.722	68%	0.683	S	S	*	*			trans	-165.6	115.2	138.3	-94	-50.9	0	0	0	110.3	S295	S295-H297 PolarHBondContact O-N 3.35Å
298	N	23.6	Very low	34.1	Very low	120 Å²	120	115.2 Å²	115.2	64%	0.642	67%	0.666	S	S	*	*			trans	63.1	113	141.4	-56.6	-6.8	0	0	0	115.9	N300	N298-N300 PolarHBondContact O-N 3.44Å
299	G	27.5	Very low	37	Very low	82 Å²	82	112.2 Å²	112.2	85%	0.845	63%	0.633	S	S	*	*			trans	-56.9	76.4	151.5	0	0	0	0	0	110.3	N301	G299-N301 PolarHBondContact O-N 3.05Å
300	N	26.4	Very low	39.6	Very low	131 Å²	131	110.3 Å²	110.3	70%	0.701	62%	0.616	S	S	*	*			trans	-77.7	108.2	150.1	-78.6	-7.1	0	0	0	104.2	N298 I302	N298-N300 PolarHBondContact O-N 3.44Å; N300-I302 VanDerWaalsContact C-N 3.32Å; N300-I302 PolarHBondContact O-N 2.89Å
301	N	29.1	Very low	42.4	Very low	142 Å²	142	106.2 Å²	106.2	76%	0.759	59%	0.585	S	S	*	*			trans	-36.5	102.4	158.1	-69.7	-48.6	0	0	0	108	G299 Q303	G299-N301 PolarHBondContact O-N 3.05Å; N301-Q303 HydrophobicContact CB-CG 4.11Å; N301-Q303 PolarHBondContact O-N 2.86Å
302	I	36.3	Very low	45.2	Very low	146 Å²	146	105.2 Å²	105.2	75%	0.749	57%	0.574	S	S	*	*			trans	-69.9	83.6	163.9	-61.6	177.2	0	0	0	103.3	N300 G304	N300-I302 VanDerWaalsContact C-N 3.32Å; N300-I302 PolarHBondContact O-N 2.89Å; I302-G304 PolarHBondContact O-N 2.86Å; I302-G304 VanDerWaalsContact O-N 3.16Å
303	Q	33.7	Very low	48	Very low	176 Å²	176	100 Å²	100	82%	0.822	54%	0.537	S	S	*	.			trans	-61.2	114.3	173.6	-74.1	-172.8	-20.1	0	0	107.1	N301	N301-Q303 HydrophobicContact CB-CG 4.11Å; N301-Q303 PolarHBondContact O-N 2.86Å
304	G	37.3	Very low	50.8	Low	36 Å²	36	97.5 Å²	97.5	37%	0.371	53%	0.529	S	S	.	.			trans	88.9	60.1	150.5	0	0	0	0	0	116.8	I302	I302-G304 PolarHBondContact O-N 2.86Å; I302-G304 VanDerWaalsContact O-N 3.16Å
305	N	51.5	Low	53.4	Low	36 Å²	36	93.9 Å²	93.9	19%	0.193	52%	0.519	C	S	.	.			trans	-93	103.7	140.9	-87.7	11.8	0	0	0	107.8	I245 T247 L307	I245-N305 PolarHBondContact O-ND2 3.32Å; I245-N305 VanDerWaalsContact O-ND2 3.14Å; T247-N305 PolarHBondContact N-ND2 2.86Å; T247-N305 VanDerWaalsContact N-ND2 3.16Å; T247-N305 PolarHBondContact OG1-ND2 2.81Å; N305-L307 PolarHBondContact O-N 3.42Å
306	N	62.8	Low	56	Low	149 Å²	149	91.7 Å²	91.7	80%	0.797	50%	0.502	S	S	*	.			trans	-75.5	4.3	-175.1	-78.6	-18.1	0	0	0	114.5
307	L	73.1	Confident	58.7	Low	21 Å²	21	86.5 Å²	86.5	11%	0.11	48%	0.48	C	S	.	.			trans	-102.2	111.4	-173.6	-65	178.4	0	0	0	110.9	I245 T247 A258 F263 N305	I245-L307 HydrophobicContact CB-CB 4.31Å; I245-L307 HydrophobicContact CD1-CB 4.19Å; I245-L307 PolarHBondContact N-O 2.8Å; T247-L307 HydrophobicContact CG2-CD1 4.21Å; A258-L307 HydrophobicContact CB-CD1 3.57Å; F263-L307 HydrophobicContact CD2-CD1 4.09Å; F263-L307 HydrophobicContact CE2-CD1 3.67Å; F263-L307 HydrophobicContact CZ-CD1 4.49Å; N305-L307 PolarHBondContact O-N 3.42Å
308	Q	79.1	Confident	61.4	Low	103 Å²	103	82.7 Å²	82.7	48%	0.481	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.6	175.3	-53	-168.3	-26.7	0	0	110.3	V243 D244	V243-Q308 CarbonylContact O-C 3.52Å; V243-Q308 VanDerWaalsContact O-CA 3.28Å; V243-Q308 WeakPolarHBondContact O-CA 3.41Å; D244-Q308 WeakPolarHBondContact OD1-CG 3.19Å; D244-Q308 PolarHBondContact OD1-NE2 2.79Å
309	V	82	Confident	64.2	Low	10 Å²	10	77.8 Å²	77.8	6%	0.061	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.8	166.1	-175.5	0	0	0	0	108	L221 V243 I245 V265 Y311 L321 I323	L221-V309 HydrophobicContact CD2-CG2 4.29Å; V243-V309 PolarHBondContact N-O 2.89Å; V243-V309 PolarHBondContact O-N 2.89Å; I245-V309 HydrophobicContact CD1-CG2 3.55Å; I245-V309 HydrophobicContact CG1-CG2 3.83Å; V265-V309 HydrophobicContact CG1-CG1 4.02Å; V265-V309 HydrophobicContact CG2-CG2 4.41Å; V309-Y311 HydrophobicContact CG1-CD1 4.33Å; V309-L321 HydrophobicContact CG1-CD1 4.46Å; V309-L321 HydrophobicContact CG1-CD2 4.44Å; V309-I323 HydrophobicContact CG2-CD1 3.9Å
310	V	81.4	Confident	66.8	Low	73 Å²	73	74.6 Å²	74.6	44%	0.442	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.3	175	-174.4	0	0	0	0	108.4	E240 V241 K242	E240-V310 HydrophobicContact CG-CG1 3.62Å; E240-V310 WeakPolarHBondContact OE1-CG1 3.37Å; V241-V310 WeakPolarHBondContact O-CA 3.28Å; K242-V310 HydrophobicContact CB-CG2 4.4Å; K242-V310 HydrophobicContact CD-CG2 4.33Å; K242-V310 HydrophobicContact CG-CG1 4.16Å; K242-V310 HydrophobicContact CG-CG2 3.92Å
311	Y	82.6	Confident	69.6	Low	18 Å²	18	68.5 Å²	68.5	7%	0.071	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.5	173.6	61.6	-92.6	0	0	0	111.1	V241 V243 V309 I313 L321 I337	V241-Y311 HydrophobicContact CB-CD2 4.38Å; V241-Y311 HydrophobicContact CB-CE1 4.18Å; V241-Y311 HydrophobicContact CB-CE2 3.82Å; V241-Y311 HydrophobicContact CG1-CE1 4.15Å; V241-Y311 HydrophobicContact CG1-CE2 4.38Å; V241-Y311 HydrophobicContact CG2-CE2 4.1Å; V241-Y311 PolarHBondContact N-O 2.83Å; V241-Y311 PolarHBondContact O-N 2.92Å; V241-Y311 VanDerWaalsContact O-N 3.1Å; V243-Y311 HydrophobicContact CG2-CE1 3.92Å; V309-Y311 HydrophobicContact CG1-CD1 4.33Å; Y311-I313 HydrophobicContact CD2-CD1 4.03Å; Y311-I313 HydrophobicContact CD2-CG1 4.21Å; Y311-I313 HydrophobicContact CE2-CD1 4.34Å; Y311-L321 HydrophobicContact CD1-CD2 4.19Å; Y311-L321 HydrophobicContact CE1-CD2 4.09Å; Y311-I337 HydrophobicContact CD2-CD1 4.08Å; Y311-I337 HydrophobicContact CE1-CD1 4.16Å; Y311-I337 HydrophobicContact CE2-CD1 3.63Å; Y311-I337 HydrophobicContact CE2-CG2 4.25Å
312	K	81.1	Confident	72.2	Confident	131 Å²	131	66.4 Å²	66.4	57%	0.57	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.6	175.2	-179.1	177.6	-178.6	171.3	0	108.6	N238	N238-K312 VanDerWaalsContact O-CE 3.3Å; N238-K312 WeakPolarHBondContact O-CE 3.46Å
313	I	82.4	Confident	74.4	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.036	32%	0.315	C	S	.	.			trans	-114.1	120.9	-176	-58.4	172	0	0	0	109.1	N238 L267 Y311 H315 Y319 I337 V339	N238-I313 PolarHBondContact N-O 3.04Å; L267-I313 HydrophobicContact CD1-CD1 4.43Å; L267-I313 HydrophobicContact CD2-CD1 4Å; L267-I313 HydrophobicContact CD2-CG1 3.8Å; Y311-I313 HydrophobicContact CD2-CD1 4.03Å; Y311-I313 HydrophobicContact CD2-CG1 4.21Å; Y311-I313 HydrophobicContact CE2-CD1 4.34Å; I313-H315 WeakPolarHBondContact CG2-O 3.28Å; I313-Y319 HydrophobicContact CD1-CD2 3.99Å; I313-Y319 HydrophobicContact CD1-CG 4.04Å; I313-Y319 HydrophobicContact CG2-CD1 4.48Å; I313-Y319 HydrophobicContact CG2-CD2 3.95Å; I313-Y319 HydrophobicContact CG2-CE1 3.95Å; I313-Y319 HydrophobicContact CG2-CE2 3.36Å; I313-Y319 HydrophobicContact CG2-CG 4.48Å; I313-Y319 WeakPolarHBondContact CG2-OH 3.43Å; I313-I337 HydrophobicContact CD1-CB 4.44Å; I313-I337 HydrophobicContact CD1-CD1 4.33Å; I313-I337 HydrophobicContact CD1-CG2 3.88Å; I313-V339 HydrophobicContact CB-CG1 4.48Å; I313-V339 HydrophobicContact CB-CG2 3.96Å; I313-V339 HydrophobicContact CD1-CG2 3.58Å; I313-V339 HydrophobicContact CG1-CG2 4.36Å; I313-V339 HydrophobicContact CG2-CB 4.43Å; I313-V339 HydrophobicContact CG2-CG1 4.31Å; I313-V339 HydrophobicContact CG2-CG2 3.79Å
314	S	78.6	Confident	76.6	Confident	66 Å²	66	54.3 Å²	54.3	46%	0.462	29%	0.289	S	S	.	.			trans	-86	-27.5	-174.3	49.6	0	0	0	0	114.4	N238	N238-S314 WeakPolarHBondContact OD1-CA 3.38Å
315	H	77.5	Confident	78.6	Confident	120 Å²	120	53 Å²	53	56%	0.556	27%	0.274	S	S	*	.	S	Bend	trans	-112.1	132.1	-176.2	-60.9	87.8	0	0	0	110.8	I313 Y319	I313-H315 WeakPolarHBondContact CG2-O 3.28Å; H315-Y319 WeakPolarHBondContact O-CE2 3.47Å; H315-Y319 PolarHBondContact O-OH 2.75Å
316	P	79.2	Confident	79.6	Confident	68 Å²	68	55.2 Å²	55.2	44%	0.442	28%	0.282	S	S	.	.			trans	-62	142.5	174.7	28.1	-34.3	0	0	0	110.4	V339	P316-V339 VanDerWaalsContact CA-O 3.31Å; P316-V339 WeakPolarHBondContact CA-O 3.49Å; P316-V339 WeakPolarHBondContact CB-O 3.28Å
317	G	81.8	Confident	79.9	Confident	25 Å²	25	50 Å²	50	26%	0.258	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	179.3	-174.9	0	0	0	0	0	113.4	Y319 V339	G317-Y319 WeakPolarHBondContact O-CD2 3.3Å; G317-V339 PolarHBondContact N-O 3.29Å; G317-V339 VanDerWaalsContact N-O 3.08Å; G317-V339 PolarHBondContact O-N 3.46Å
318	L	82.6	Confident	80	Confident	77 Å²	77	54.9 Å²	54.9	40%	0.403	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.1	175.2	-65.2	171.4	0	0	0	109.7	K270 I337	K270-L318 HydrophobicContact CB-CB 4.2Å; K270-L318 WeakPolarHBondContact CB-O 3.45Å; K270-L318 PolarHBondContact N-O 2.82Å; L318-I337 CarbonylContact C-O 3.58Å; L318-I337 WeakPolarHBondContact CA-O 3.44Å
319	Y	82.1	Confident	80	Confident	17 Å²	17	53 Å²	53	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.5	179.2	-63	-101.4	0	0	0	110.2	L267 T268 Q269 I313 H315 G317 C336 I337 V339	L267-Y319 HydrophobicContact CG-CD1 4.34Å; T268-Y319 CarbonylContact O-C 3.59Å; T268-Y319 WeakPolarHBondContact O-CA 3.16Å; Q269-Y319 HydrophobicContact CB-CD1 3.82Å; Q269-Y319 HydrophobicContact CB-CE1 3.61Å; Q269-Y319 HydrophobicContact CG-CD1 4.19Å; Q269-Y319 HydrophobicContact CG-CE1 3.75Å; I313-Y319 HydrophobicContact CD1-CD2 3.99Å; I313-Y319 HydrophobicContact CD1-CG 4.04Å; I313-Y319 HydrophobicContact CG2-CD1 4.48Å; I313-Y319 HydrophobicContact CG2-CD2 3.95Å; I313-Y319 HydrophobicContact CG2-CE1 3.95Å; I313-Y319 HydrophobicContact CG2-CE2 3.36Å; I313-Y319 HydrophobicContact CG2-CG 4.48Å; I313-Y319 WeakPolarHBondContact CG2-OH 3.43Å; H315-Y319 WeakPolarHBondContact O-CE2 3.47Å; H315-Y319 PolarHBondContact O-OH 2.75Å; G317-Y319 WeakPolarHBondContact O-CD2 3.3Å; Y319-C336 CarbonylContact O-C 3.58Å; Y319-C336 WeakPolarHBondContact O-CA 3.29Å; Y319-I337 PolarHBondContact N-O 2.84Å; Y319-I337 PolarHBondContact O-N 3.03Å; Y319-V339 HydrophobicContact CD2-CG2 3.83Å; Y319-V339 HydrophobicContact CE2-CB 4.42Å; Y319-V339 HydrophobicContact CE2-CG2 3.96Å
320	D	83.1	Confident	80.1	Confident	14 Å²	14	52.7 Å²	52.7	8%	0.075	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.4	169.5	-69.9	-18.9	0	0	0	108.5	T268 K270 P334	T268-D320 PolarHBondContact N-O 3.19Å; T268-D320 PolarHBondContact O-N 2.85Å; T268-D320 PolarHBondContact OG1-O 2.86Å; K270-D320 IonicContact NZ-OD1 3.9Å; K270-D320 PolarHBondContact NZ-OD1 3.04Å; K270-D320 IonicContact NZ-OD2 2.78Å; K270-D320 PolarHBondContact NZ-OD2 3.47Å; D320-P334 HydrophobicContact CB-CB 4.34Å
321	L	84.5	Confident	79.9	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.1	170.1	178	68.5	0	0	0	109.1	V265 L267 V309 Y311 I323 P334 Y335 I337	V265-L321 HydrophobicContact CG1-CD1 3.67Å; L267-L321 HydrophobicContact CB-CD1 4.5Å; L267-L321 HydrophobicContact CD1-CB 4.06Å; L267-L321 HydrophobicContact CD1-CD1 4.19Å; V309-L321 HydrophobicContact CG1-CD1 4.46Å; V309-L321 HydrophobicContact CG1-CD2 4.44Å; Y311-L321 HydrophobicContact CD1-CD2 4.19Å; Y311-L321 HydrophobicContact CE1-CD2 4.09Å; L321-I323 HydrophobicContact CD2-CD1 4.07Å; L321-I323 HydrophobicContact CG-CD1 4.26Å; L321-I323 HydrophobicContact CG-CG1 4.17Å; L321-P334 WeakPolarHBondContact O-CA 3.31Å; L321-Y335 PolarHBondContact N-O 2.83Å; L321-Y335 PolarHBondContact O-N 3.24Å; L321-I337 HydrophobicContact CB-CD1 3.66Å; L321-I337 HydrophobicContact CB-CG1 4.35Å; L321-I337 HydrophobicContact CD2-CD1 4.1Å; L321-I337 HydrophobicContact CG-CD1 4.4Å
322	R	82.9	Confident	79.6	Confident	98 Å²	98	56.3 Å²	56.3	37%	0.37	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.7	178.3	-64.9	173.4	-172.6	-154.3	-0	108.8	V265 L266 P334	V265-R322 CarbonylContact C-O 3.42Å; V265-R322 WeakPolarHBondContact CA-O 3.34Å; L266-R322 HydrophobicContact CB-CB 4.36Å; L266-R322 PolarHBondContact N-O 2.78Å; L266-R322 WeakPolarHBondContact O-CB 3.4Å; L266-R322 PolarHBondContact O-N 2.87Å; R322-P334 HydrophobicContact CG-CB 3.97Å
323	I	83.9	Confident	79.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.5	173.3	-57.7	167.5	0	0	0	107.3	L221 F263 S264 V265 V309 L321 I330 S333 Y335	L221-I323 HydrophobicContact CD1-CD1 3.84Å; L221-I323 HydrophobicContact CD2-CD1 3.79Å; L221-I323 HydrophobicContact CG-CD1 4.05Å; F263-I323 HydrophobicContact CD1-CG2 4.2Å; S264-I323 WeakPolarHBondContact O-CA 3.25Å; V265-I323 HydrophobicContact CG1-CG1 4.16Å; V265-I323 HydrophobicContact CG2-CG1 4.19Å; V265-I323 HydrophobicContact CG2-CG2 4.29Å; V309-I323 HydrophobicContact CG2-CD1 3.9Å; L321-I323 HydrophobicContact CD2-CD1 4.07Å; L321-I323 HydrophobicContact CG-CD1 4.26Å; L321-I323 HydrophobicContact CG-CG1 4.17Å; I323-I330 HydrophobicContact CB-CD1 3.83Å; I323-I330 HydrophobicContact CB-CG1 3.96Å; I323-I330 HydrophobicContact CD1-CD1 4.22Å; I323-I330 HydrophobicContact CG2-CD1 3.6Å; I323-I330 HydrophobicContact CG2-CG1 3.99Å; I323-I330 HydrophobicContact CG2-CG2 4.33Å; I323-I330 PolarHBondContact O-N 3.3Å; I323-S333 PolarHBondContact N-OG 2.65Å; I323-S333 WeakPolarHBondContact O-CB 3.46Å; I323-S333 PolarHBondContact O-OG 3.41Å; I323-Y335 HydrophobicContact CD1-CD2 4.29Å; I323-Y335 HydrophobicContact CD1-CE2 4.07Å
324	K	80	Confident	79.5	Confident	67 Å²	67	53.3 Å²	53.3	29%	0.291	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.8	-176.3	-72	173.8	162.4	-136.7	0	111.7	F263 S264 G327 E328 H329	F263-K324 CarbonylContact C-O 3.52Å; F263-K324 WeakPolarHBondContact CA-O 3.43Å; S264-K324 PolarHBondContact N-O 3.01Å; S264-K324 PolarHBondContact O-N 2.86Å; S264-K324 WeakPolarHBondContact OG-CB 3.32Å; S264-K324 PolarHBondContact OG-O 3.47Å; K324-G327 VanDerWaalsContact CD-O 3.29Å; K324-G327 WeakPolarHBondContact CD-O 3.44Å; K324-G327 WeakPolarHBondContact CE-O 3.44Å; K324-G327 PolarHBondContact NZ-O 3.24Å; K324-E328 CarbonylContact C-O 3.32Å; K324-E328 VanDerWaalsContact C-O 3.32Å; K324-E328 WeakPolarHBondContact CA-O 3.31Å; K324-E328 WeakPolarHBondContact CB-O 3.41Å; K324-H329 WeakPolarHBondContact CE-CE1 3.5Å; K324-H329 WeakPolarHBondContact CE-NE2 3.18Å
325	L	78.7	Confident	79.7	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.4	168.7	-175.6	73.6	0	0	0	108.2	V214 A216 E262 F263 G327 E328 I330	V214-L325 HydrophobicContact CB-CD2 4.35Å; V214-L325 HydrophobicContact CG1-CD2 4.17Å; A216-L325 HydrophobicContact CB-CB 4.21Å; A216-L325 HydrophobicContact CB-CD2 4.13Å; E262-L325 HydrophobicContact CB-CD1 3.65Å; F263-L325 HydrophobicContact CD1-CB 4.48Å; F263-L325 HydrophobicContact CD1-CD1 4.1Å; F263-L325 HydrophobicContact CD2-CD1 4.25Å; F263-L325 HydrophobicContact CE1-CB 4.34Å; F263-L325 HydrophobicContact CE1-CD1 3.79Å; F263-L325 HydrophobicContact CE2-CD1 3.93Å; F263-L325 HydrophobicContact CG-CD1 4.33Å; F263-L325 HydrophobicContact CZ-CD1 3.7Å; L325-G327 PolarHBondContact O-N 2.99Å; L325-E328 PolarHBondContact N-O 3.03Å; L325-E328 PolarHBondContact O-N 2.86Å; L325-I330 HydrophobicContact CB-CG2 4.32Å
326	F	72.6	Confident	79.8	Confident	83 Å²	83	46.8 Å²	46.8	36%	0.364	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	34.5	-174.5	-59.9	-63.3	0	0	0	115.5	G210 T212 E262	G210-F326 VanDerWaalsContact CA-CE2 3.42Å; T212-F326 HydrophobicContact CG2-CD2 4.28Å; T212-F326 HydrophobicContact CG2-CE2 3.21Å; T212-F326 HydrophobicContact CG2-CZ 3.68Å; E262-F326 HydrophobicContact CB-CE1 4.25Å; E262-F326 HydrophobicContact CB-CE2 4.33Å; E262-F326 HydrophobicContact CB-CZ 3.95Å; E262-F326 HydrophobicContact CG-CE1 4.23Å; E262-F326 HydrophobicContact CG-CE2 4.39Å; E262-F326 HydrophobicContact CG-CZ 3.72Å; E262-F326 PolarHBondContact O-N 3.45Å
327	G	68.9	Low	80	Confident	39 Å²	39	43.6 Å²	43.6	40%	0.402	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-12.8	178.6	0	0	0	0	0	115.7	K324 L325	K324-G327 VanDerWaalsContact CD-O 3.29Å; K324-G327 WeakPolarHBondContact CD-O 3.44Å; K324-G327 WeakPolarHBondContact CE-O 3.44Å; K324-G327 PolarHBondContact NZ-O 3.24Å; L325-G327 PolarHBondContact O-N 2.99Å
328	E	74.8	Confident	79.9	Confident	125 Å²	125	43.6 Å²	43.6	58%	0.584	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.7	174.4	-64.6	-167.3	168.2	0	0	111.8	A216 K324 L325	A216-E328 HydrophobicContact CB-CB 4.49Å; K324-E328 CarbonylContact C-O 3.32Å; K324-E328 VanDerWaalsContact C-O 3.32Å; K324-E328 WeakPolarHBondContact CA-O 3.31Å; K324-E328 WeakPolarHBondContact CB-O 3.41Å; L325-E328 PolarHBondContact N-O 3.03Å; L325-E328 PolarHBondContact O-N 2.86Å
329	H	79.9	Confident	79.8	Confident	64 Å²	64	40.1 Å²	40.1	30%	0.296	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.6	179.3	-77.7	-72	0	0	0	111.9	K324 S333	K324-H329 WeakPolarHBondContact CE-CE1 3.5Å; K324-H329 WeakPolarHBondContact CE-NE2 3.18Å; H329-S333 PolarHBondContact ND1-OG 2.89Å
330	I	83.4	Confident	79.6	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-71.8	163.1	169.6	68	167	0	0	0	110.9	A216 T219 F263 I323 L325 G332 S333 Y335	A216-I330 WeakPolarHBondContact O-CA 3.27Å; T219-I330 HydrophobicContact CG2-CG2 4.26Å; F263-I330 HydrophobicContact CE1-CG2 4.2Å; I323-I330 HydrophobicContact CB-CD1 3.83Å; I323-I330 HydrophobicContact CB-CG1 3.96Å; I323-I330 HydrophobicContact CD1-CD1 4.22Å; I323-I330 HydrophobicContact CG2-CD1 3.6Å; I323-I330 HydrophobicContact CG2-CG1 3.99Å; I323-I330 HydrophobicContact CG2-CG2 4.33Å; I323-I330 PolarHBondContact O-N 3.3Å; L325-I330 HydrophobicContact CB-CG2 4.32Å; I330-G332 PolarHBondContact O-N 3.38Å; I330-G332 VanDerWaalsContact O-N 3.13Å; I330-S333 WeakPolarHBondContact O-CB 3.22Å; I330-S333 PolarHBondContact O-N 2.85Å; I330-Y335 HydrophobicContact CD1-CE2 4.24Å; I330-Y335 HydrophobicContact CG1-CE2 4.4Å
331	K	78.1	Confident	79.1	Confident	128 Å²	128	46.7 Å²	46.7	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	118.2	-179.6	-173.5	179.8	178.2	179.6	0	112.5	A216 Q217 T219 Y335	A216-K331 PolarHBondContact O-N 3.12Å; Q217-K331 WeakPolarHBondContact O-CB 3.39Å; Q217-K331 WeakPolarHBondContact O-CD 3.28Å; T219-K331 WeakPolarHBondContact O-CB 3.4Å; T219-K331 PolarHBondContact O-N 3.32Å; K331-Y335 PolarHBondContact O-OH 3.45Å
332	G	75.3	Confident	78.1	Confident	38 Å²	38	49.9 Å²	49.9	39%	0.392	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-6.5	179.9	0	0	0	0	0	114.8	I330 P334 Y335	I330-G332 PolarHBondContact O-N 3.38Å; I330-G332 VanDerWaalsContact O-N 3.13Å; G332-P334 CarbonylContact O-C 3.5Å; G332-Y335 WeakPolarHBondContact O-CD1 3.3Å; G332-Y335 WeakPolarHBondContact O-CE1 3.24Å
333	S	81.4	Confident	76.8	Confident	17 Å²	17	50 Å²	50	12%	0.119	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-76.7	141.9	169.4	175.9	0	0	0	0	110.6	I323 H329 I330	I323-S333 PolarHBondContact N-OG 2.65Å; I323-S333 WeakPolarHBondContact O-CB 3.46Å; I323-S333 PolarHBondContact O-OG 3.41Å; H329-S333 PolarHBondContact ND1-OG 2.89Å; I330-S333 WeakPolarHBondContact O-CB 3.22Å; I330-S333 PolarHBondContact O-N 2.85Å
334	P	79.2	Confident	75.3	Confident	59 Å²	59	57.3 Å²	57.3	38%	0.383	32%	0.322	S	S	.	.	S	Bend	cis	-73.9	137.2	-3.2	29	-33.1	0	0	0	113.4	D320 L321 R322 G332	D320-P334 HydrophobicContact CB-CB 4.34Å; L321-P334 WeakPolarHBondContact O-CA 3.31Å; R322-P334 HydrophobicContact CG-CB 3.97Å; G332-P334 CarbonylContact O-C 3.5Å
335	Y	83.6	Confident	74.2	Confident	12 Å²	12	58.5 Å²	58.5	5%	0.047	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130	173.3	-57.3	-86.1	0	0	0	109.6	L221 L321 I323 I330 K331 G332	L221-Y335 HydrophobicContact CD1-CD1 4.2Å; L221-Y335 HydrophobicContact CD1-CD2 3.6Å; L221-Y335 HydrophobicContact CD1-CE1 4Å; L221-Y335 HydrophobicContact CD1-CE2 3.34Å; L221-Y335 HydrophobicContact CD1-CG 4.02Å; L221-Y335 HydrophobicContact CG-CE1 4.45Å; L221-Y335 HydrophobicContact CG-CE2 3.79Å; L221-Y335 PolarHBondContact N-OH 2.99Å; L321-Y335 PolarHBondContact N-O 2.83Å; L321-Y335 PolarHBondContact O-N 3.24Å; I323-Y335 HydrophobicContact CD1-CD2 4.29Å; I323-Y335 HydrophobicContact CD1-CE2 4.07Å; I330-Y335 HydrophobicContact CD1-CE2 4.24Å; I330-Y335 HydrophobicContact CG1-CE2 4.4Å; K331-Y335 PolarHBondContact O-OH 3.45Å; G332-Y335 WeakPolarHBondContact O-CD1 3.3Å; G332-Y335 WeakPolarHBondContact O-CE1 3.24Å
336	C	78.8	Confident	73	Confident	36 Å²	36	61.5 Å²	61.5	24%	0.243	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.8	173.7	-71.2	0	0	0	0	109.4	S231 V232 R233 Y319	S231-C336 WeakPolarHBondContact O-CB 3.19Å; S231-C336 PolarHBondContact O-N 2.94Å; V232-C336 CarbonylContact C-O 3.59Å; V232-C336 VanDerWaalsContact CA-O 3.29Å; V232-C336 WeakPolarHBondContact CA-O 3.32Å; V232-C336 HydrophobicContact CG2-CB 4.2Å; R233-C336 PolarHBondContact N-O 2.89Å; Y319-C336 CarbonylContact O-C 3.58Å; Y319-C336 WeakPolarHBondContact O-CA 3.29Å
337	I	83.6	Confident	72	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120	175.9	-57.1	168.4	0	0	0	108	R233 L267 Y311 I313 L318 Y319 L321 V339	R233-I337 CarbonylContact O-C 3.52Å; R233-I337 WeakPolarHBondContact O-CA 3.47Å; L267-I337 HydrophobicContact CD1-CD1 4.03Å; Y311-I337 HydrophobicContact CD2-CD1 4.08Å; Y311-I337 HydrophobicContact CE1-CD1 4.16Å; Y311-I337 HydrophobicContact CE2-CD1 3.63Å; Y311-I337 HydrophobicContact CE2-CG2 4.25Å; I313-I337 HydrophobicContact CD1-CB 4.44Å; I313-I337 HydrophobicContact CD1-CD1 4.33Å; I313-I337 HydrophobicContact CD1-CG2 3.88Å; L318-I337 CarbonylContact C-O 3.58Å; L318-I337 WeakPolarHBondContact CA-O 3.44Å; Y319-I337 PolarHBondContact N-O 2.84Å; Y319-I337 PolarHBondContact O-N 3.03Å; L321-I337 HydrophobicContact CB-CD1 3.66Å; L321-I337 HydrophobicContact CB-CG1 4.35Å; L321-I337 HydrophobicContact CD2-CD1 4.1Å; L321-I337 HydrophobicContact CG-CD1 4.4Å; I337-V339 HydrophobicContact CG2-CG2 3.91Å
338	S	79.4	Confident	71.3	Confident	25 Å²	25	66.9 Å²	66.9	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.2	171.1	-174.8	0	0	0	0	109.2	R233 R234 C235	R233-S338 PolarHBondContact O-N 3.5Å; R234-S338 VanDerWaalsContact CA-O 3.32Å; R234-S338 WeakPolarHBondContact CA-O 3.45Å; C235-S338 PolarHBondContact N-O 2.86Å
339	V	81.3	Confident	70.5	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.03	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.8	179.4	-172.5	0	0	0	0	109.6	C235 A237 I313 P316 G317 Y319 I337	C235-V339 WeakPolarHBondContact O-CA 3.49Å; A237-V339 HydrophobicContact CB-CG1 3.99Å; I313-V339 HydrophobicContact CB-CG1 4.48Å; I313-V339 HydrophobicContact CB-CG2 3.96Å; I313-V339 HydrophobicContact CD1-CG2 3.58Å; I313-V339 HydrophobicContact CG1-CG2 4.36Å; I313-V339 HydrophobicContact CG2-CB 4.43Å; I313-V339 HydrophobicContact CG2-CG1 4.31Å; I313-V339 HydrophobicContact CG2-CG2 3.79Å; P316-V339 VanDerWaalsContact CA-O 3.31Å; P316-V339 WeakPolarHBondContact CA-O 3.49Å; P316-V339 WeakPolarHBondContact CB-O 3.28Å; G317-V339 PolarHBondContact N-O 3.29Å; G317-V339 VanDerWaalsContact N-O 3.08Å; G317-V339 PolarHBondContact O-N 3.46Å; Y319-V339 HydrophobicContact CD2-CG2 3.83Å; Y319-V339 HydrophobicContact CE2-CB 4.42Å; Y319-V339 HydrophobicContact CE2-CG2 3.96Å; I337-V339 HydrophobicContact CG2-CG2 3.91Å
340	D	77.5	Confident	69.5	Low	86 Å²	86	63.9 Å²	63.9	46%	0.46	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	146.1	178.6	-70.5	-29	0	0	0	111	C235 A237	C235-D340 PolarHBondContact O-N 3.32Å; A237-D340 PolarHBondContact N-O 3.47Å; A237-D340 VanDerWaalsContact N-O 3.12Å
341	S	72.7	Confident	68.6	Low	83 Å²	83	67.3 Å²	67.3	58%	0.58	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-67.8	140	174.1	62.2	0	0	0	0	110.5
342	P	65.2	Low	67.8	Low	70 Å²	70	65.7 Å²	65.7	46%	0.455	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-62.4	139.3	176.3	25.6	-31.8	0	0	0	109.6	K344	P342-K344 PolarHBondContact O-N 2.78Å
343	P	55.2	Low	67.2	Low	101 Å²	101	66.8 Å²	66.8	66%	0.656	40%	0.402	S	S	*	.			trans	-62.5	114.5	-177.7	24.3	-31.9	0	0	0	109.7	A345	P343-A345 PolarHBondContact O-N 3.25Å
344	K	52.5	Low	65.7	Low	154 Å²	154	72.1 Å²	72.1	67%	0.67	43%	0.427	S	S	*	.			trans	-65.5	130.2	171	-72.6	179.2	177.7	176.7	0	108.3	P342 S346 L347	P342-K344 PolarHBondContact O-N 2.78Å; K344-S346 PolarHBondContact O-N 3.46Å; K344-L347 WeakPolarHBondContact O-CB 3.2Å; K344-L347 PolarHBondContact O-N 3.39Å
345	A	55.1	Low	65	Low	91 Å²	91	78.7 Å²	78.7	75%	0.752	44%	0.444	S	S	*	.	H	α-helix	trans	-52.1	-25.1	178.9	0	0	0	0	0	114	P343	P343-A345 PolarHBondContact O-N 3.25Å
346	S	53.9	Low	63.7	Low	71 Å²	71	84.9 Å²	84.9	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-71.8	-25.1	174.4	62	0	0	0	0	114.1	K344 I350	K344-S346 PolarHBondContact O-N 3.46Å; S346-I350 VanDerWaalsContact O-CD1 3.31Å; S346-I350 WeakPolarHBondContact O-CD1 3.14Å; S346-I350 WeakPolarHBondContact O-CG1 3.32Å; S346-I350 PolarHBondContact O-N 2.99Å
347	L	51.8	Low	62.3	Low	97 Å²	97	88.8 Å²	88.8	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-77	-26.5	-179	-82.6	169.3	0	0	0	113.2	K344 I350 S351	K344-L347 WeakPolarHBondContact O-CB 3.2Å; K344-L347 PolarHBondContact O-N 3.39Å; L347-I350 HydrophobicContact CD2-CD1 4.16Å; L347-I350 CarbonylContact O-C 3.52Å; L347-I350 PolarHBondContact O-N 3.08Å; L347-S351 WeakPolarHBondContact O-CB 3.29Å; L347-S351 PolarHBondContact O-N 3.36Å
348	Q	55.6	Low	60.8	Low	139 Å²	139	93.7 Å²	93.7	65%	0.65	53%	0.525	S	S	*	.	H	α-helix	trans	-70.5	-43.7	174.4	-151.9	157.4	3.9	0	0	110	I350 S351 D352	Q348-I350 VanDerWaalsContact C-N 3.31Å; Q348-I350 PolarHBondContact O-N 3.35Å; Q348-S351 PolarHBondContact O-N 3.11Å; Q348-S351 VanDerWaalsContact O-N 3.14Å; Q348-D352 WeakPolarHBondContact O-CB 3.31Å; Q348-D352 VanDerWaalsContact O-CG 3.25Å; Q348-D352 PolarHBondContact O-N 2.92Å
349	A	57.6	Low	59.1	Low	54 Å²	54	100.6 Å²	100.6	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-61	-36.9	168.9	0	0	0	0	0	112.7	T353	A349-T353 VanDerWaalsContact O-CB 3.31Å; A349-T353 WeakPolarHBondContact O-CB 3.42Å; A349-T353 WeakPolarHBondContact O-CG2 3.4Å; A349-T353 PolarHBondContact O-N 3.41Å; A349-T353 PolarHBondContact O-OG1 3.46Å
350	I	58.4	Low	57.1	Low	72 Å²	72	106.9 Å²	106.9	37%	0.369	59%	0.587	S	S	.	*	H	α-helix	trans	-68.6	-38.9	173.7	-67.5	160.1	0	0	0	111.2	S346 L347 Q348 T353 M354	S346-I350 VanDerWaalsContact O-CD1 3.31Å; S346-I350 WeakPolarHBondContact O-CD1 3.14Å; S346-I350 WeakPolarHBondContact O-CG1 3.32Å; S346-I350 PolarHBondContact O-N 2.99Å; L347-I350 HydrophobicContact CD2-CD1 4.16Å; L347-I350 CarbonylContact O-C 3.52Å; L347-I350 PolarHBondContact O-N 3.08Å; Q348-I350 VanDerWaalsContact C-N 3.31Å; Q348-I350 PolarHBondContact O-N 3.35Å; I350-T353 VanDerWaalsContact CA-OG1 3.25Å; I350-T353 WeakPolarHBondContact CA-OG1 3.33Å; I350-T353 PolarHBondContact O-OG1 3.36Å; I350-T353 VanDerWaalsContact O-OG1 3.06Å; I350-M354 HydrophobicContact CG2-CE 4.06Å; I350-M354 HydrophobicContact CG2-CG 4.02Å; I350-M354 WeakPolarHBondContact O-CB 3.31Å; I350-M354 WeakPolarHBondContact O-CG 3.42Å; I350-M354 PolarHBondContact O-N 2.87Å
351	S	63.7	Low	55.1	Low	75 Å²	75	108.6 Å²	108.6	52%	0.524	60%	0.603	S	S	.	*	H	α-helix	trans	-66.5	-40.2	176.9	-174.2	0	0	0	0	111.6	L347 Q348 R355	L347-S351 WeakPolarHBondContact O-CB 3.29Å; L347-S351 PolarHBondContact O-N 3.36Å; Q348-S351 PolarHBondContact O-N 3.11Å; Q348-S351 VanDerWaalsContact O-N 3.14Å; S351-R355 PolarHBondContact O-N 3.31Å; S351-R355 VanDerWaalsContact O-N 3.17Å
352	D	63.1	Low	53.1	Low	94 Å²	94	116.8 Å²	116.8	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-70.9	-42.8	178.1	-65.9	-26.1	0	0	0	110.9	Q348 R355 E356	Q348-D352 WeakPolarHBondContact O-CB 3.31Å; Q348-D352 VanDerWaalsContact O-CG 3.25Å; Q348-D352 PolarHBondContact O-N 2.92Å; D352-R355 VanDerWaalsContact O-CB 3.26Å; D352-R355 WeakPolarHBondContact O-CB 3.36Å; D352-R355 PolarHBondContact O-N 3.12Å; D352-E356 PolarHBondContact O-N 3.19Å
353	T	62.3	Low	51.7	Low	60 Å²	60	125.2 Å²	125.2	37%	0.368	64%	0.644	S	S	.	*	H	α-helix	trans	-67.8	-35.2	173.4	53	0	0	0	0	112.7	A349 I350 R355 E356 I357	A349-T353 VanDerWaalsContact O-CB 3.31Å; A349-T353 WeakPolarHBondContact O-CB 3.42Å; A349-T353 WeakPolarHBondContact O-CG2 3.4Å; A349-T353 PolarHBondContact O-N 3.41Å; A349-T353 PolarHBondContact O-OG1 3.46Å; I350-T353 VanDerWaalsContact CA-OG1 3.25Å; I350-T353 WeakPolarHBondContact CA-OG1 3.33Å; I350-T353 PolarHBondContact O-OG1 3.36Å; I350-T353 VanDerWaalsContact O-OG1 3.06Å; T353-R355 PolarHBondContact O-N 2.75Å; T353-E356 PolarHBondContact O-N 3.09Å; T353-E356 VanDerWaalsContact O-N 3.15Å; T353-I357 VanDerWaalsContact O-CB 3.32Å; T353-I357 WeakPolarHBondContact O-CB 3.26Å; T353-I357 WeakPolarHBondContact O-CD1 3.34Å; T353-I357 WeakPolarHBondContact O-CG1 3.4Å; T353-I357 PolarHBondContact O-N 2.9Å
354	M	50.3	Low	50.7	Low	130 Å²	130	127 Å²	127	64%	0.64	65%	0.653	S	S	*	*	H	α-helix	trans	-61.3	-32.7	172.7	-76.6	-87.1	-177.8	0	0	111.4	I350 S358	I350-M354 HydrophobicContact CG2-CE 4.06Å; I350-M354 HydrophobicContact CG2-CG 4.02Å; I350-M354 WeakPolarHBondContact O-CB 3.31Å; I350-M354 WeakPolarHBondContact O-CG 3.42Å; I350-M354 PolarHBondContact O-N 2.87Å; M354-S358 PolarHBondContact O-N 2.89Å
355	R	62.8	Low	49.7	Very low	196 Å²	196	128.7 Å²	128.7	74%	0.74	66%	0.663	S	S	*	*	H	α-helix	trans	-70.5	-41.9	173.8	-143.8	178.1	-160.7	152.9	3.4	111.6	S351 D352 T353 S358	S351-R355 PolarHBondContact O-N 3.31Å; S351-R355 VanDerWaalsContact O-N 3.17Å; D352-R355 VanDerWaalsContact O-CB 3.26Å; D352-R355 WeakPolarHBondContact O-CB 3.36Å; D352-R355 PolarHBondContact O-N 3.12Å; T353-R355 PolarHBondContact O-N 2.75Å; R355-S358 WeakPolarHBondContact O-CB 3.37Å; R355-S358 PolarHBondContact O-N 2.98Å
356	E	56.5	Low	48.7	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.664	67%	0.669	S	S	*	*	H	α-helix	trans	-70.2	-36.8	178.7	-133.1	176.9	-175.1	0	0	112.8	D352 T353 S358 E359	D352-E356 PolarHBondContact O-N 3.19Å; T353-E356 PolarHBondContact O-N 3.09Å; T353-E356 VanDerWaalsContact O-N 3.15Å; E356-S358 VanDerWaalsContact C-N 3.29Å; E356-S358 PolarHBondContact O-N 3.14Å; E356-E359 PolarHBondContact O-N 3.03Å
357	I	50.2	Low	47.7	Very low	119 Å²	119	140.3 Å²	140.3	61%	0.61	68%	0.684	S	S	*	*	H	α-helix	trans	-72	-24.1	178.5	-67.4	162.4	0	0	0	111.5	T353 E359	T353-I357 VanDerWaalsContact O-CB 3.32Å; T353-I357 WeakPolarHBondContact O-CB 3.26Å; T353-I357 WeakPolarHBondContact O-CD1 3.34Å; T353-I357 WeakPolarHBondContact O-CG1 3.4Å; T353-I357 PolarHBondContact O-N 2.9Å; I357-E359 PolarHBondContact O-N 2.85Å; I357-E359 VanDerWaalsContact O-N 3.13Å
358	S	52.3	Low	46.9	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-17.2	175.4	-175.2	0	0	0	0	113.5	M354 R355 E356	M354-S358 PolarHBondContact O-N 2.89Å; R355-S358 WeakPolarHBondContact O-CB 3.37Å; R355-S358 PolarHBondContact O-N 2.98Å; E356-S358 VanDerWaalsContact C-N 3.29Å; E356-S358 PolarHBondContact O-N 3.14Å
359	E	43.6	Very low	45.9	Very low	171 Å²	171	144.1 Å²	144.1	80%	0.799	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	8.6	-170.4	-64	-163.5	164.2	0	0	115.4	E356 I357	E356-E359 PolarHBondContact O-N 3.03Å; I357-E359 PolarHBondContact O-N 2.85Å; I357-E359 VanDerWaalsContact O-N 3.13Å
360	L	39	Very low	44.7	Very low	137 Å²	137	147.2 Å²	147.2	72%	0.717	72%	0.722	S	S	*	*	S	Bend	trans	-112.7	139.7	-177.9	-82.3	147.9	0	0	0	114.7
361	P	34.8	Very low	43.5	Very low	122 Å²	122	155.4 Å²	155.4	79%	0.792	75%	0.748	S	S	*	*			trans	-72.3	135.2	-172.2	-13	28.8	0	0	0	113.5	R363	P361-R363 PolarHBondContact O-N 3.02Å
362	R	30.8	Very low	42.1	Very low	254 Å²	254	163.2 Å²	163.2	96%	0.958	77%	0.766	S	S	*	*			trans	-53.6	120.9	-173.6	-61.9	176.7	173.9	171.9	-2.2	113.8
363	R	35.4	Very low	41	Very low	247 Å²	247	170.7 Å²	170.7	93%	0.932	79%	0.787	S	S	*	*			trans	-112.4	143.6	157.1	-102	-175.7	173.3	178.2	-0.9	111	P361	P361-R363 PolarHBondContact O-N 3.02Å
364	T	34.1	Very low	39.5	Very low	140 Å²	140	173.5 Å²	173.5	86%	0.859	81%	0.808	S	S	*	*			trans	-70.9	148.9	-159.8	26.5	0	0	0	0	115.4
365	Q	32.1	Very low	38.7	Very low	188 Å²	188	176.6 Å²	176.6	88%	0.879	82%	0.821	S	S	*	*			trans	-69.5	135	-174.4	-61.4	-176.3	-20.6	0	0	113.3
366	H	33.9	Very low	37.3	Very low	188 Å²	188	171.5 Å²	171.5	87%	0.87	82%	0.816	S	S	*	*			trans	-115.9	117.2	152.5	-88.3	-76.5	0	0	0	110.2	I368	H366-I368 PolarHBondContact O-N 2.88Å
367	R	33.7	Very low	36.2	Very low	218 Å²	218	170.6 Å²	170.6	82%	0.823	82%	0.819	S	S	*	*			trans	-73.8	109.5	-177.1	177.4	-178.6	175.4	-178.6	-0.8	110.2
368	I	35.8	Very low	35.6	Very low	167 Å²	167	169.3 Å²	169.3	86%	0.856	82%	0.819	S	S	*	*			trans	-97.8	115.5	167.1	-60.4	179	0	0	0	108.3	H366	H366-I368 PolarHBondContact O-N 2.88Å
369	Q	32.8	Very low	34.7	Very low	150 Å²	150	171.1 Å²	171.1	70%	0.701	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-69	133.1	-177	-67.3	174	-2.7	0	0	111.2	R371	Q369-R371 PolarHBondContact O-N 3.28Å
370	S	32.5	Very low	34.3	Very low	119 Å²	119	170 Å²	170	83%	0.832	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.9	119.6	171.8	47.9	0	0	0	0	110.3
371	R	33.6	Very low	34.1	Very low	243 Å²	243	168.6 Å²	168.6	92%	0.917	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.6	120.4	170.9	-77.4	-173.4	166.7	-171.9	-3.5	109.4	Q369 R373	Q369-R371 PolarHBondContact O-N 3.28Å; R371-R373 PolarHBondContact O-N 2.86Å
372	R	34.8	Very low	34	Very low	239 Å²	239	169.8 Å²	169.8	90%	0.902	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.4	128.3	168.1	-72.6	-178	173.8	179.7	-2.4	109.2	C374	R372-C374 PolarHBondContact O-N 3.04Å
373	R	39.4	Very low	34.4	Very low	251 Å²	251	165.3 Å²	165.3	95%	0.947	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.3	178.8	-155	175.9	-153.1	171.3	4.8	109.1	R371	R371-R373 PolarHBondContact O-N 2.86Å
374	C	31.3	Very low	34.5	Very low	120 Å²	120	158.1 Å²	158.1	81%	0.811	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.6	154.4	-175.6	-63.3	0	0	0	0	112.3	R372	R372-C374 PolarHBondContact O-N 3.04Å
375	Q	34.1	Very low	34.9	Very low	194 Å²	194	159.8 Å²	159.8	91%	0.907	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.1	172.5	-77.7	168.5	-29.4	0	0	111.2
376	S	31.8	Very low	35.2	Very low	90 Å²	90	158.7 Å²	158.7	63%	0.629	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.4	117.5	178.6	39.8	0	0	0	0	111.5
377	V	33.4	Very low	35.6	Very low	122 Å²	122	155.9 Å²	155.9	74%	0.739	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-98.1	140.2	156	-178.9	0	0	0	0	106.6	V379	V377-V379 PolarHBondContact O-N 3.34Å
378	P	37.6	Very low	35.9	Very low	92 Å²	92	151 Å²	151	60%	0.597	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-55.7	136.4	-173.9	17.7	-31.2	0	0	0	113.1	Y380	P378-Y380 HydrophobicContact CG-CE2 4.3Å; P378-Y380 WeakPolarHBondContact O-CD2 3.45Å; P378-Y380 PolarHBondContact O-N 2.95Å
379	V	33.8	Very low	35.9	Very low	142 Å²	142	145.6 Å²	145.6	86%	0.861	77%	0.77	S	S	*	*			trans	-75	104.7	-179.4	-179.5	0	0	0	0	109	V377	V377-V379 PolarHBondContact O-N 3.34Å
380	Y	36	Very low	36.4	Very low	147 Å²	147	145.1 Å²	145.1	58%	0.576	77%	0.771	S	S	*	*			trans	-86.4	128	158.8	-60.8	-82.5	0	0	0	107.6	P378 N382	P378-Y380 HydrophobicContact CG-CE2 4.3Å; P378-Y380 WeakPolarHBondContact O-CD2 3.45Å; P378-Y380 PolarHBondContact O-N 2.95Å; Y380-N382 PolarHBondContact O-N 2.91Å
381	S	34.6	Very low	36.9	Very low	108 Å²	108	143 Å²	143	76%	0.755	76%	0.761	S	S	*	*			trans	-67.9	86.2	167.5	45.7	0	0	0	0	108.8	L383	S381-L383 PolarHBondContact O-N 2.83Å
382	N	32.9	Very low	37.2	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	73%	0.73	S	S	*	*			trans	-72.6	94.9	170.1	-74.6	-12.5	0	0	0	108.2	Y380 S384	Y380-N382 PolarHBondContact O-N 2.91Å; N382-S384 PolarHBondContact O-N 3.02Å; N382-S384 VanDerWaalsContact O-N 3.14Å
383	L	38.2	Very low	37.3	Very low	160 Å²	160	127.9 Å²	127.9	84%	0.838	72%	0.716	S	S	*	*			trans	-66.5	104.8	166.6	-71.2	163.3	0	0	0	107.6	S381	S381-L383 PolarHBondContact O-N 2.83Å
384	S	38.4	Very low	37	Very low	97 Å²	97	125.8 Å²	125.8	68%	0.678	71%	0.709	S	S	*	*			trans	-91.5	135.8	155.6	54.1	0	0	0	0	107.3	N382 Q386	N382-S384 PolarHBondContact O-N 3.02Å; N382-S384 VanDerWaalsContact O-N 3.14Å; S384-Q386 PolarHBondContact O-N 2.75Å
385	D	42.7	Very low	37.2	Very low	174 Å²	174	126.9 Å²	126.9	93%	0.93	70%	0.7	S	S	*	*			trans	-53.4	96.6	-173.2	-67.8	-45.6	0	0	0	111.9
386	Q	38.1	Very low	37.2	Very low	166 Å²	166	124.9 Å²	124.9	78%	0.776	69%	0.693	S	S	*	*			trans	-107.5	138.2	161.8	-76.4	-166.2	-15	0	0	108.9	S384 T388	S384-Q386 PolarHBondContact O-N 2.75Å; Q386-T388 PolarHBondContact O-N 3.36Å
387	P	41.8	Very low	37.4	Very low	129 Å²	129	128 Å²	128	84%	0.838	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.3	-176.2	25.7	-31.3	0	0	0	110.1	A389	P387-A389 PolarHBondContact O-N 2.89Å
388	T	39.7	Very low	37.8	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.1	116.5	-168.3	-38.2	0	0	0	0	110.7	Q386 D392	Q386-T388 PolarHBondContact O-N 3.36Å; T388-D392 HydrophobicContact CG2-CB 3.63Å
389	A	37.1	Very low	38.6	Very low	54 Å²	54	129.6 Å²	129.6	45%	0.446	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-72.6	152.6	175.9	0	0	0	0	0	110	P387 A391 D392	P387-A389 PolarHBondContact O-N 2.89Å; A389-A391 PolarHBondContact O-N 2.94Å; A389-D392 PolarHBondContact N-OD2 2.95Å; A389-D392 WeakPolarHBondContact O-CA 3.33Å; A389-D392 WeakPolarHBondContact O-CB 3.13Å; A389-D392 PolarHBondContact O-N 2.83Å
390	L	43.3	Very low	40.5	Very low	140 Å²	140	124 Å²	124	73%	0.733	65%	0.653	S	S	*	*	H	α-helix	trans	-58	-23.1	179.7	-146.6	103	0	0	0	113.2	D392 L393	L390-D392 VanDerWaalsContact C-N 3.27Å; L390-D392 PolarHBondContact O-N 3.44Å; L390-L393 HydrophobicContact CD1-CD1 4.42Å; L390-L393 HydrophobicContact CG-CD1 4.32Å; L390-L393 PolarHBondContact O-N 3.04Å
391	A	42.2	Very low	42.7	Very low	73 Å²	73	118.9 Å²	118.9	60%	0.603	63%	0.634	S	S	*	*	H	α-helix	trans	-70	-21	172.6	0	0	0	0	0	113.4	A389 Y394	A389-A391 PolarHBondContact O-N 2.94Å; A391-Y394 PolarHBondContact O-N 2.98Å
392	D	40.4	Very low	45.1	Very low	53 Å²	53	117.4 Å²	117.4	28%	0.283	62%	0.617	S	S	.	*	H	α-helix	trans	-83.2	-18.6	176.8	-62.2	-42.4	0	0	0	112.6	T388 A389 L390 Y394 K395	T388-D392 HydrophobicContact CG2-CB 3.63Å; A389-D392 PolarHBondContact N-OD2 2.95Å; A389-D392 WeakPolarHBondContact O-CA 3.33Å; A389-D392 WeakPolarHBondContact O-CB 3.13Å; A389-D392 PolarHBondContact O-N 2.83Å; L390-D392 VanDerWaalsContact C-N 3.27Å; L390-D392 PolarHBondContact O-N 3.44Å; D392-Y394 PolarHBondContact O-N 3.46Å; D392-K395 WeakPolarHBondContact O-CB 3.25Å; D392-K395 PolarHBondContact O-N 2.83Å; D392-K395 WeakPolarHBondContact OD1-CD 3.4Å; D392-K395 WeakPolarHBondContact OD1-CE 3.36Å; D392-K395 IonicContact OD1-NZ 2.89Å; D392-K395 PolarHBondContact OD1-NZ 3.16Å
393	L	36.4	Very low	47.8	Very low	113 Å²	113	113 Å²	113	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-62.5	-30.2	167.7	-82.9	160.1	0	0	0	111.5	L390	L390-L393 HydrophobicContact CD1-CD1 4.42Å; L390-L393 HydrophobicContact CG-CD1 4.32Å; L390-L393 PolarHBondContact O-N 3.04Å
394	Y	33.3	Very low	50.3	Low	207 Å²	207	108.1 Å²	108.1	81%	0.812	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-86.9	-2.4	172.7	-73.6	-78.8	0	0	0	114	A391 D392 M396	A391-Y394 PolarHBondContact O-N 2.98Å; D392-Y394 PolarHBondContact O-N 3.46Å; Y394-M396 VanDerWaalsContact C-N 3.29Å
395	K	36.3	Very low	52.9	Low	143 Å²	143	104.5 Å²	104.5	62%	0.622	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-85.7	5	166.7	-74	-174.1	-171.6	147.7	0	113.4	D392 E397	D392-K395 WeakPolarHBondContact O-CB 3.25Å; D392-K395 PolarHBondContact O-N 2.83Å; D392-K395 WeakPolarHBondContact OD1-CD 3.4Å; D392-K395 WeakPolarHBondContact OD1-CE 3.36Å; D392-K395 IonicContact OD1-NZ 2.89Å; D392-K395 PolarHBondContact OD1-NZ 3.16Å; K395-E397 PolarHBondContact O-N 2.9Å
396	M	32.5	Very low	55.1	Low	152 Å²	152	97.3 Å²	97.3	75%	0.749	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-74.8	-0.6	175.8	-66.2	-141.4	81.6	0	0	114.5	Y394 R398	Y394-M396 VanDerWaalsContact C-N 3.29Å; M396-R398 PolarHBondContact O-N 3.38Å; M396-R398 VanDerWaalsContact O-N 3.16Å
397	E	37.7	Very low	57.7	Low	156 Å²	156	92.6 Å²	92.6	73%	0.729	49%	0.493	S	S	*	.			trans	-83.3	64.6	157.6	-65.5	-167.7	163.8	0	0	109.7	K395 G399	K395-E397 PolarHBondContact O-N 2.9Å; E397-G399 PolarHBondContact O-N 2.7Å
398	R	41.4	Very low	60.1	Low	215 Å²	215	93.2 Å²	93.2	81%	0.811	48%	0.482	S	S	*	.			trans	-64.1	96.4	159.6	-79.7	-159.4	-80.7	-133.4	-1.2	105.8	M396	M396-R398 PolarHBondContact O-N 3.38Å; M396-R398 VanDerWaalsContact O-N 3.16Å
399	G	54.8	Low	62.4	Low	31 Å²	31	88.7 Å²	88.7	32%	0.32	46%	0.458	S	S	.	.			trans	-56.2	-177.5	179.1	0	0	0	0	0	112.3	E397 F401	E397-G399 PolarHBondContact O-N 2.7Å; G399-F401 PolarHBondContact O-N 2.95Å
400	D	72.6	Confident	64.9	Low	24 Å²	24	95 Å²	95	13%	0.128	47%	0.47	C	S	.	.	S	Bend	trans	-56.8	-19.8	-173.5	-58.5	7	0	0	0	113	I635 F670 N671 S674	D400-I635 HydrophobicContact CB-CG2 4.26Å; D400-F670 HydrophobicContact CB-CD1 4.34Å; D400-F670 CarbonylContact O-C 3.32Å; D400-F670 WeakPolarHBondContact O-CA 3.36Å; D400-F670 WeakPolarHBondContact O-CB 3.42Å; D400-N671 PolarHBondContact O-N 3.4Å; D400-S674 WeakPolarHBondContact OD1-CB 3.44Å; D400-S674 PolarHBondContact OD1-OG 3.41Å; D400-S674 WeakPolarHBondContact OD2-CB 3.49Å
401	F	82.5	Confident	66.9	Low	40 Å²	40	89.6 Å²	89.6	18%	0.175	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.9	179.8	178.6	-104	0	0	0	113.7	G399 Y403 E640 K668 F670	G399-F401 PolarHBondContact O-N 2.95Å; F401-Y403 WeakPolarHBondContact CE2-O 3.46Å; F401-E640 HydrophobicContact CD1-CG 4.33Å; F401-E640 HydrophobicContact CD2-CB 4.37Å; F401-E640 HydrophobicContact CE1-CG 3.95Å; F401-E640 HydrophobicContact CE2-CB 4.36Å; F401-E640 HydrophobicContact CE2-CG 4.42Å; F401-E640 HydrophobicContact CG-CB 4.43Å; F401-E640 HydrophobicContact CZ-CB 4.41Å; F401-E640 HydrophobicContact CZ-CG 3.98Å; F401-K668 HydrophobicContact CD2-CB 4.38Å; F401-K668 HydrophobicContact CE2-CB 3.95Å; F401-K668 HydrophobicContact CE2-CD 4.03Å; F401-K668 HydrophobicContact CE2-CG 4.05Å; F401-F670 HydrophobicContact CB-CD1 3.88Å; F401-F670 HydrophobicContact CB-CE1 3.85Å; F401-F670 HydrophobicContact CD2-CD1 4.2Å; F401-F670 AromaticContact CD2-CE1 3.76Å; F401-F670 HydrophobicContact CD2-CE1 3.76Å; F401-F670 HydrophobicContact CD2-CZ 4.03Å; F401-F670 HydrophobicContact CG-CE1 4.29Å
402	L	85.9	Confident	69.2	Low	78 Å²	78	90.7 Å²	90.7	41%	0.408	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-59.8	178.5	-59.6	178.9	0	0	0	112	K656 V669 N671	L402-K656 HydrophobicContact CD1-CD 4.12Å; L402-K656 HydrophobicContact CD1-CG 3.84Å; L402-V669 WeakPolarHBondContact CA-O 3.37Å; L402-V669 WeakPolarHBondContact CB-O 3.35Å; L402-V669 HydrophobicContact CD1-CG1 4.16Å; L402-V669 PolarHBondContact N-O 3.06Å; L402-N671 HydrophobicContact CD2-CB 4.43Å
403	Y	88.7	Confident	71.5	Confident	53 Å²	53	88.9 Å²	88.9	21%	0.208	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	164.9	179.8	60.3	-88.5	0	0	0	110.7	F401 V405 L444 V669	F401-Y403 WeakPolarHBondContact CE2-O 3.46Å; Y403-V405 HydrophobicContact CD2-CG2 3.8Å; Y403-V405 HydrophobicContact CE2-CG2 3.82Å; Y403-L444 PolarHBondContact OH-O 3.01Å; Y403-V669 HydrophobicContact CD1-CB 4.37Å; Y403-V669 HydrophobicContact CD2-CB 4.49Å; Y403-V669 HydrophobicContact CD2-CG2 4.13Å; Y403-V669 HydrophobicContact CE1-CB 4Å; Y403-V669 HydrophobicContact CE1-CG1 4.14Å; Y403-V669 HydrophobicContact CE1-CG2 4.22Å; Y403-V669 HydrophobicContact CE2-CB 4.14Å; Y403-V669 HydrophobicContact CE2-CG2 3.52Å; Y403-V669 PolarHBondContact N-O 3.11Å; Y403-V669 PolarHBondContact O-N 3Å
404	S	90.3	Very high	74.2	Confident	57 Å²	57	86.2 Å²	86.2	40%	0.399	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148	174.3	57.3	0	0	0	0	110.8	F667	S404-F667 CarbonylContact C-O 3.6Å; S404-F667 WeakPolarHBondContact CA-O 3.35Å
405	V	92.3	Very high	77	Confident	21 Å²	21	76.4 Å²	76.4	13%	0.127	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124	178.2	-176.9	0	0	0	0	108.6	Y403 F442 C666 F667	Y403-V405 HydrophobicContact CD2-CG2 3.8Å; Y403-V405 HydrophobicContact CE2-CG2 3.82Å; V405-F442 HydrophobicContact CG1-CD1 4.07Å; V405-F442 HydrophobicContact CG1-CE1 3.88Å; V405-C666 WeakPolarHBondContact O-CA 3.39Å; V405-C666 VanDerWaalsContact O-CB 3.24Å; V405-C666 WeakPolarHBondContact O-CB 3.42Å; V405-F667 HydrophobicContact CB-CD1 4.14Å; V405-F667 HydrophobicContact CB-CE1 3.53Å; V405-F667 HydrophobicContact CB-CE2 4.05Å; V405-F667 HydrophobicContact CB-CZ 3.49Å; V405-F667 VanDerWaalsContact CB-CZ 3.49Å; V405-F667 HydrophobicContact CG1-CE1 3.8Å; V405-F667 HydrophobicContact CG1-CZ 3.97Å; V405-F667 HydrophobicContact CG2-CE1 4.27Å; V405-F667 HydrophobicContact CG2-CE2 4.01Å; V405-F667 HydrophobicContact CG2-CZ 3.7Å; V405-F667 PolarHBondContact N-O 2.95Å; V405-F667 PolarHBondContact O-N 2.86Å
406	G	90.7	Very high	79.7	Confident	23 Å²	23	70.7 Å²	70.7	24%	0.237	36%	0.364	C	S	.	.			trans	130.5	147.6	179.8	0	0	0	0	0	113.4	G413 Y665	G406-G413 WeakPolarHBondContact CA-O 3.21Å; G406-Y665 CarbonylContact C-O 3.47Å
407	T	91.1	Very high	82.6	Confident	68 Å²	68	65.3 Å²	65.3	42%	0.417	34%	0.338	S	S	.	.			trans	-142.8	162.1	164.5	52.8	0	0	0	0	108.5	G409 E414 F415 Y665	T407-G409 PolarHBondContact O-N 2.98Å; T407-E414 CarbonylContact O-C 3.54Å; T407-E414 VanDerWaalsContact O-CA 3.25Å; T407-E414 WeakPolarHBondContact O-CA 3.28Å; T407-E414 WeakPolarHBondContact O-CB 3.34Å; T407-F415 PolarHBondContact O-N 3.39Å; T407-Y665 PolarHBondContact N-O 2.88Å
408	K	91.9	Very high	85.3	Confident	142 Å²	142	57.9 Å²	57.9	62%	0.617	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-57.9	124.8	175.4	-171.9	176	-173.5	160.4	0	111.2	F415 Y665	K408-F415 WeakPolarHBondContact CA-O 3.14Å; K408-Y665 HydrophobicContact CB-CD1 4.06Å; K408-Y665 HydrophobicContact CB-CD2 3.64Å; K408-Y665 HydrophobicContact CB-CE1 4.45Å; K408-Y665 HydrophobicContact CB-CE2 4.04Å; K408-Y665 HydrophobicContact CB-CG 3.63Å; K408-Y665 HydrophobicContact CD-CD1 4.44Å; K408-Y665 HydrophobicContact CD-CD2 4.17Å; K408-Y665 HydrophobicContact CD-CE1 4Å; K408-Y665 HydrophobicContact CD-CE2 3.67Å; K408-Y665 WeakPolarHBondContact CE-OH 3.45Å; K408-Y665 HydrophobicContact CG-CD1 3.86Å; K408-Y665 HydrophobicContact CG-CD2 4.05Å; K408-Y665 HydrophobicContact CG-CE1 3.86Å; K408-Y665 HydrophobicContact CG-CE2 4.02Å; K408-Y665 HydrophobicContact CG-CG 3.96Å; K408-Y665 PolarHBondContact NZ-OH 3.4Å
409	G	89.2	Confident	87.9	Confident	19 Å²	19	47.9 Å²	47.9	20%	0.196	27%	0.266	C	S	.	.	S	Bend	trans	163.4	-161.3	173.9	0	0	0	0	0	114.6	T407 E414 F415 A416 N436	T407-G409 PolarHBondContact O-N 2.98Å; G409-E414 VanDerWaalsContact CA-OE2 3.25Å; G409-E414 WeakPolarHBondContact CA-OE2 3.25Å; G409-F415 PolarHBondContact N-O 3.48Å; G409-F415 CarbonylContact O-C 3.56Å; G409-F415 VanDerWaalsContact O-C 3.27Å; G409-A416 PolarHBondContact O-N 3.41Å; G409-N436 PolarHBondContact O-ND2 3.41Å
410	R	88.5	Confident	89.8	Confident	187 Å²	187	46.5 Å²	46.5	71%	0.706	25%	0.252	S	S	*	.	S	Bend	trans	-129.7	-3.3	-177.3	-57.3	-158.6	161.7	115.8	-8.9	113.3	E414 N436 R451	R410-E414 PolarHBondContact N-OE2 2.91Å; R410-N436 VanDerWaalsContact CG-OD1 3.28Å; R410-N436 WeakPolarHBondContact CG-OD1 3.28Å; R410-N436 PolarHBondContact NE-OD1 3.34Å; R410-R451 PolarHBondContact O-NH1 3.05Å
411	G	86.9	Confident	90.9	Very high	27 Å²	27	45.6 Å²	45.6	28%	0.278	25%	0.247	S	C	.	.	S	Bend	trans	-73.6	-175.9	177.6	0	0	0	0	0	113.1	G413 E414	G411-G413 PolarHBondContact O-N 3.02Å; G411-E414 WeakPolarHBondContact CA-OE2 3.28Å; G411-E414 PolarHBondContact N-OE2 3.36Å; G411-E414 PolarHBondContact O-N 3.28Å
412	N	90.1	Very high	91.5	Very high	96 Å²	96	44.7 Å²	44.7	51%	0.513	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	125.4	175.9	-65.7	-12.2	0	0	0	109.8	E414 F448 R451	N412-E414 PolarHBondContact O-N 2.95Å; N412-F448 HydrophobicContact CB-CD1 3.92Å; N412-F448 HydrophobicContact CB-CD2 4.27Å; N412-F448 HydrophobicContact CB-CE1 3.65Å; N412-F448 HydrophobicContact CB-CE2 4.02Å; N412-F448 HydrophobicContact CB-CG 4.21Å; N412-F448 HydrophobicContact CB-CZ 3.69Å; N412-R451 VanDerWaalsContact OD1-CZ 3.3Å; N412-R451 PolarHBondContact OD1-NE 2.78Å
413	G	88.7	Confident	91.9	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	4.2	-174.8	0	0	0	0	0	114.3	G406 G411	G406-G413 WeakPolarHBondContact CA-O 3.21Å; G411-G413 PolarHBondContact O-N 3.02Å
414	E	92.4	Very high	92.2	Very high	57 Å²	57	39.9 Å²	39.9	27%	0.266	23%	0.225	S	C	.	.			trans	-100.7	150.4	171.3	-60.5	-179.7	165.8	0	0	109.9	T407 G409 R410 G411 N412 Q440	T407-E414 CarbonylContact O-C 3.54Å; T407-E414 VanDerWaalsContact O-CA 3.25Å; T407-E414 WeakPolarHBondContact O-CA 3.28Å; T407-E414 WeakPolarHBondContact O-CB 3.34Å; G409-E414 VanDerWaalsContact CA-OE2 3.25Å; G409-E414 WeakPolarHBondContact CA-OE2 3.25Å; R410-E414 PolarHBondContact N-OE2 2.91Å; G411-E414 WeakPolarHBondContact CA-OE2 3.28Å; G411-E414 PolarHBondContact N-OE2 3.36Å; G411-E414 PolarHBondContact O-N 3.28Å; N412-E414 PolarHBondContact O-N 2.95Å; E414-Q440 PolarHBondContact O-NE2 3.44Å
415	F	93.4	Very high	92.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-127.6	146.5	-179.8	-58.4	-79	0	0	0	112.4	T407 K408 G409 P418 V431 D433 Q440 F442 Y665 F667	T407-F415 PolarHBondContact O-N 3.39Å; K408-F415 WeakPolarHBondContact CA-O 3.14Å; G409-F415 PolarHBondContact N-O 3.48Å; G409-F415 CarbonylContact O-C 3.56Å; G409-F415 VanDerWaalsContact O-C 3.27Å; F415-P418 HydrophobicContact CB-CB 4.06Å; F415-P418 HydrophobicContact CB-CG 3.85Å; F415-P418 HydrophobicContact CD1-CB 3.91Å; F415-P418 HydrophobicContact CG-CB 3.98Å; F415-P418 HydrophobicContact CG-CG 4.16Å; F415-V431 HydrophobicContact CD1-CG1 4.31Å; F415-V431 HydrophobicContact CE1-CB 3.96Å; F415-V431 HydrophobicContact CE1-CG1 3.62Å; F415-V431 HydrophobicContact CZ-CB 4.25Å; F415-V431 HydrophobicContact CZ-CG1 4.05Å; F415-V431 HydrophobicContact CZ-CG2 4.45Å; F415-D433 VanDerWaalsContact CA-OD2 3.27Å; F415-D433 WeakPolarHBondContact CA-OD2 3.44Å; F415-D433 HydrophobicContact CD1-CB 4.15Å; F415-Q440 HydrophobicContact CE1-CB 4.28Å; F415-Q440 HydrophobicContact CE1-CG 4.37Å; F415-F442 HydrophobicContact CE1-CE2 4.23Å; F415-F442 HydrophobicContact CE1-CZ 4.29Å; F415-F442 HydrophobicContact CE2-CZ 4.25Å; F415-F442 AromaticContact CZ-CE2 3.62Å; F415-F442 HydrophobicContact CZ-CE2 3.62Å; F415-F442 AromaticContact CZ-CZ 3.53Å; F415-F442 HydrophobicContact CZ-CZ 3.53Å; F415-Y665 WeakPolarHBondContact CD2-O 3.36Å; F415-F667 HydrophobicContact CE2-CD1 4.06Å; F415-F667 HydrophobicContact CE2-CE1 4.37Å; F415-F667 HydrophobicContact CZ-CD1 4.04Å; F415-F667 HydrophobicContact CZ-CE1 4.2Å
416	A	91.4	Very high	92.1	Very high	24 Å²	24	50.2 Å²	50.2	20%	0.198	26%	0.258	C	S	.	.	S	Bend	trans	-102.2	-42.1	172.3	0	0	0	0	0	112.2	G409 D433 N435 N436 Y665	G409-A416 PolarHBondContact O-N 3.41Å; A416-D433 PolarHBondContact N-OD1 2.7Å; A416-D433 PolarHBondContact N-OD2 2.86Å; A416-N435 HydrophobicContact CB-CB 3.76Å; A416-N436 VanDerWaalsContact CB-CG 3.49Å; A416-N436 VanDerWaalsContact CB-ND2 3.35Å; A416-N436 WeakPolarHBondContact CB-ND2 3.48Å; A416-N436 WeakPolarHBondContact CB-OD1 3.42Å; A416-N436 PolarHBondContact N-ND2 3.23Å; A416-Y665 WeakPolarHBondContact O-CD1 3.5Å; A416-Y665 WeakPolarHBondContact O-CE1 3.33Å
417	N	94.2	Very high	92.1	Very high	39 Å²	39	52.9 Å²	52.9	21%	0.209	27%	0.266	C	S	.	.	S	Bend	trans	-154.5	80.3	171.6	-177.5	54.2	0	0	0	109.3	D433 S434 N435	N417-D433 PolarHBondContact N-OD1 2.71Å; N417-S434 PolarHBondContact O-N 3.4Å; N417-N435 HydrophobicContact CB-CB 3.97Å
418	P	95.3	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.1	177.5	32.9	-32.6	0	0	0	108.8	F415 V431 A432 V660 P662	F415-P418 HydrophobicContact CB-CB 4.06Å; F415-P418 HydrophobicContact CB-CG 3.85Å; F415-P418 HydrophobicContact CD1-CB 3.91Å; F415-P418 HydrophobicContact CG-CB 3.98Å; F415-P418 HydrophobicContact CG-CG 4.16Å; P418-V431 HydrophobicContact CB-CG1 4.01Å; P418-A432 CarbonylContact C-O 3.38Å; P418-A432 WeakPolarHBondContact CA-O 3.22Å; P418-V660 HydrophobicContact CB-CG1 3.58Å; P418-V660 HydrophobicContact CG-CG1 3.83Å; P418-V660 WeakPolarHBondContact O-CG1 3.42Å; P418-P662 HydrophobicContact CG-CB 4.42Å; P418-P662 WeakPolarHBondContact O-CB 3.47Å
419	S	94.3	Very high	92.5	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-71.5	-172	45.4	0	0	0	0	112	A432 S434 V466 G647	S419-A432 PolarHBondContact N-O 2.77Å; S419-A432 PolarHBondContact OG-O 3.21Å; S419-S434 PolarHBondContact OG-OG 2.98Å; S419-V466 WeakPolarHBondContact CB-O 3.31Å; S419-V466 PolarHBondContact OG-O 3.5Å; S419-G647 WeakPolarHBondContact O-CA 3.36Å; S419-G647 PolarHBondContact O-N 3.35Å
420	G	94.6	Very high	92.9	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	152.6	178.7	0	0	0	0	0	113.7	V431 A432 V466 D467	G420-V431 WeakPolarHBondContact O-CA 3.42Å; G420-A432 PolarHBondContact O-N 3.19Å; G420-V466 WeakPolarHBondContact CA-O 3.34Å; G420-V466 PolarHBondContact N-O 2.95Å; G420-D467 VanDerWaalsContact CA-OD1 3.29Å; G420-D467 WeakPolarHBondContact CA-OD1 3.35Å
421	I	96.4	Very high	93.3	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.4	179.1	-172.3	160.8	0	0	0	110.3	I429 L430 V431 A649 L658 V660 F667	I421-I429 HydrophobicContact CD1-CG2 3.76Å; I421-I429 HydrophobicContact CG1-CG2 3.85Å; I421-L430 CarbonylContact C-O 3.27Å; I421-L430 VanDerWaalsContact CA-O 3.28Å; I421-L430 WeakPolarHBondContact CA-O 3.34Å; I421-V431 HydrophobicContact CD1-CG2 4.06Å; I421-V431 HydrophobicContact CG1-CG2 4.16Å; I421-A649 HydrophobicContact CG1-CB 4.3Å; I421-A649 HydrophobicContact CG2-CB 3.94Å; I421-L658 HydrophobicContact CD1-CB 3.74Å; I421-L658 HydrophobicContact CD1-CD2 3.99Å; I421-V660 HydrophobicContact CB-CG2 3.48Å; I421-V660 VanDerWaalsContact CB-CG2 3.48Å; I421-V660 HydrophobicContact CD1-CG2 4.02Å; I421-V660 HydrophobicContact CG1-CG2 4.35Å; I421-V660 HydrophobicContact CG2-CG2 3.57Å; I421-F667 HydrophobicContact CD1-CB 4.19Å; I421-F667 HydrophobicContact CD1-CD2 4.25Å; I421-F667 HydrophobicContact CD1-CG 4.21Å
422	C	95.4	Very high	93.7	Very high	21 Å²	21	34 Å²	34	14%	0.142	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.6	176.5	-178.3	0	0	0	0	110	L430 V468	C422-L430 HydrophobicContact CB-CB 4.41Å; C422-L430 PolarHBondContact N-O 3.08Å; C422-L430 PolarHBondContact O-N 3.42Å; C422-V468 HydrophobicContact CB-CB 4.3Å; C422-V468 HydrophobicContact CB-CG2 3.83Å; C422-V468 VanDerWaalsContact CB-O 3.31Å; C422-V468 WeakPolarHBondContact CB-O 3.49Å
423	V	94.8	Very high	94	Very high	26 Å²	26	29.5 Å²	29.5	16%	0.158	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	170.4	179.1	0	0	0	0	107.9	K428 L444 A649 H651 L658	V423-K428 CarbonylContact C-O 3.51Å; V423-K428 WeakPolarHBondContact CA-O 3.32Å; V423-L444 HydrophobicContact CG1-CD2 4.19Å; V423-A649 HydrophobicContact CG2-CB 3.9Å; V423-H651 HydrophobicContact CG1-CB 4.18Å; V423-L658 HydrophobicContact CG2-CD1 3.98Å; V423-L658 HydrophobicContact CG2-CD2 3.97Å
424	T	93.7	Very high	94.2	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.031	14%	0.14	C	C	.	.			trans	-78.9	161.6	-179.7	72	0	0	0	0	111.7	E426 N427 K428 L430 E470 Y476	T424-E426 PolarHBondContact O-N 2.8Å; T424-E426 PolarHBondContact OG1-N 3.13Å; T424-N427 PolarHBondContact O-N 3.45Å; T424-K428 HydrophobicContact CG2-CB 4.35Å; T424-K428 PolarHBondContact N-O 2.76Å; T424-K428 WeakPolarHBondContact OG1-CB 3.4Å; T424-K428 PolarHBondContact OG1-N 3.02Å; T424-K428 VanDerWaalsContact OG1-N 3.09Å; T424-K428 PolarHBondContact OG1-O 2.79Å; T424-L430 HydrophobicContact CG2-CD1 3.52Å; T424-L430 HydrophobicContact CG2-CG 3.9Å; T424-E470 WeakPolarHBondContact CA-OE2 3.46Å; T424-E470 WeakPolarHBondContact CB-OE2 3.41Å; T424-Y476 HydrophobicContact CG2-CD1 4.46Å; T424-Y476 HydrophobicContact CG2-CE1 3.82Å
425	R	90.4	Very high	94.1	Very high	186 Å²	186	30.9 Å²	30.9	70%	0.702	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	173.1	-63.9	169.1	-169.5	-117.1	0.7	113.1	N427 E470	R425-N427 PolarHBondContact O-N 3.06Å; R425-E470 WeakPolarHBondContact CG-OE2 3.3Å; R425-E470 PolarHBondContact N-OE2 2.72Å
426	E	89.9	Confident	94	Very high	109 Å²	109	31.4 Å²	31.4	51%	0.509	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	12.7	174.2	-63.5	-172.4	166.1	0	0	113.5	T424 K428	T424-E426 PolarHBondContact O-N 2.8Å; T424-E426 PolarHBondContact OG1-N 3.13Å; E426-K428 VanDerWaalsContact C-N 3.32Å; E426-K428 PolarHBondContact O-N 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.48Å; E426-K428 IonicContact OE2-NZ 3.92Å; E426-K428 PolarHBondContact OE2-NZ 2.67Å
427	N	92.4	Very high	94.1	Very high	78 Å²	78	30.3 Å²	30.3	42%	0.417	15%	0.146	S	C	.	.	S	Bend	trans	61.5	36.9	-179.7	-61.6	-33.4	0	0	0	113.5	T424 R425 L444 H651	T424-N427 PolarHBondContact O-N 3.45Å; R425-N427 PolarHBondContact O-N 3.06Å; N427-L444 HydrophobicContact CB-CD1 3.54Å; N427-L444 HydrophobicContact CB-CG 3.94Å; N427-L444 WeakPolarHBondContact O-CG 3.18Å; N427-H651 PolarHBondContact OD1-NE2 3.46Å
428	K	94.4	Very high	94.1	Very high	48 Å²	48	30.4 Å²	30.4	21%	0.209	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147	170.1	-61.1	169	-178.1	159.1	0	109.7	V423 T424 E426 V441 F442 I449	V423-K428 CarbonylContact C-O 3.51Å; V423-K428 WeakPolarHBondContact CA-O 3.32Å; T424-K428 HydrophobicContact CG2-CB 4.35Å; T424-K428 PolarHBondContact N-O 2.76Å; T424-K428 WeakPolarHBondContact OG1-CB 3.4Å; T424-K428 PolarHBondContact OG1-N 3.02Å; T424-K428 VanDerWaalsContact OG1-N 3.09Å; T424-K428 PolarHBondContact OG1-O 2.79Å; E426-K428 VanDerWaalsContact C-N 3.32Å; E426-K428 PolarHBondContact O-N 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.48Å; E426-K428 IonicContact OE2-NZ 3.92Å; E426-K428 PolarHBondContact OE2-NZ 2.67Å; K428-V441 HydrophobicContact CB-CG1 4Å; K428-V441 HydrophobicContact CD-CG1 4.22Å; K428-V441 HydrophobicContact CG-CG1 4.44Å; K428-F442 CarbonylContact C-O 3.57Å; K428-F442 WeakPolarHBondContact CA-O 3.29Å; K428-I449 HydrophobicContact CG-CD1 4.22Å
429	I	95.7	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.6	174.6	-53.2	166.5	0	0	0	107.3	I421 V431 V441 F442 T443 L444 L658 F667	I421-I429 HydrophobicContact CD1-CG2 3.76Å; I421-I429 HydrophobicContact CG1-CG2 3.85Å; I429-V431 HydrophobicContact CG2-CG2 3.96Å; I429-V441 CarbonylContact O-C 3.59Å; I429-V441 VanDerWaalsContact O-CA 3.3Å; I429-V441 WeakPolarHBondContact O-CA 3.34Å; I429-F442 HydrophobicContact CB-CB 4.22Å; I429-F442 PolarHBondContact N-O 3.41Å; I429-F442 PolarHBondContact O-N 2.96Å; I429-T443 VanDerWaalsContact CD1-O 3.26Å; I429-T443 WeakPolarHBondContact CD1-O 3.44Å; I429-L444 HydrophobicContact CD1-CD2 4.5Å; I429-L444 HydrophobicContact CG1-CD2 4.2Å; I429-L658 HydrophobicContact CB-CD2 4.31Å; I429-L658 HydrophobicContact CD1-CD2 3.38Å; I429-L658 HydrophobicContact CG1-CD2 3.6Å; I429-L658 HydrophobicContact CG2-CD2 3.72Å; I429-F667 HydrophobicContact CD1-CE2 4.04Å; I429-F667 HydrophobicContact CD1-CZ 4.2Å; I429-F667 HydrophobicContact CG2-CZ 4.49Å
430	L	97.1	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.7	171.9	-61.2	167.6	0	0	0	108.2	I421 C422 T424 I439 Q440 V441 F452 V468 Y476	I421-L430 CarbonylContact C-O 3.27Å; I421-L430 VanDerWaalsContact CA-O 3.28Å; I421-L430 WeakPolarHBondContact CA-O 3.34Å; C422-L430 HydrophobicContact CB-CB 4.41Å; C422-L430 PolarHBondContact N-O 3.08Å; C422-L430 PolarHBondContact O-N 3.42Å; T424-L430 HydrophobicContact CG2-CD1 3.52Å; T424-L430 HydrophobicContact CG2-CG 3.9Å; L430-I439 HydrophobicContact CB-CG2 4.39Å; L430-I439 HydrophobicContact CD2-CG2 4.29Å; L430-Q440 WeakPolarHBondContact CA-O 3.43Å; L430-V441 HydrophobicContact CD2-CB 4.26Å; L430-V441 HydrophobicContact CD2-CG1 3.97Å; L430-V441 HydrophobicContact CD2-CG2 3.61Å; L430-F452 HydrophobicContact CD2-CE1 4.43Å; L430-V468 HydrophobicContact CB-CB 4.32Å; L430-V468 HydrophobicContact CB-CG2 4.04Å; L430-Y476 HydrophobicContact CD1-CD1 3.53Å; L430-Y476 HydrophobicContact CD1-CD2 4.36Å; L430-Y476 HydrophobicContact CD1-CE1 3.83Å; L430-Y476 HydrophobicContact CD1-CG 3.83Å; L430-Y476 HydrophobicContact CD2-CD2 4.12Å; L430-Y476 HydrophobicContact CD2-CE1 4.42Å; L430-Y476 HydrophobicContact CD2-CE2 3.93Å; L430-Y476 HydrophobicContact CD2-CG 4.42Å
431	V	97.1	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.6	176.7	-174.8	0	0	0	0	109.2	F415 P418 G420 I421 I429 I439 Q440 F442 F667	F415-V431 HydrophobicContact CD1-CG1 4.31Å; F415-V431 HydrophobicContact CE1-CB 3.96Å; F415-V431 HydrophobicContact CE1-CG1 3.62Å; F415-V431 HydrophobicContact CZ-CB 4.25Å; F415-V431 HydrophobicContact CZ-CG1 4.05Å; F415-V431 HydrophobicContact CZ-CG2 4.45Å; P418-V431 HydrophobicContact CB-CG1 4.01Å; G420-V431 WeakPolarHBondContact O-CA 3.42Å; I421-V431 HydrophobicContact CD1-CG2 4.06Å; I421-V431 HydrophobicContact CG1-CG2 4.16Å; I429-V431 HydrophobicContact CG2-CG2 3.96Å; V431-I439 WeakPolarHBondContact O-CA 3.33Å; V431-Q440 PolarHBondContact N-O 3.28Å; V431-Q440 PolarHBondContact O-N 3.45Å; V431-F442 HydrophobicContact CB-CE2 4.46Å; V431-F442 HydrophobicContact CG2-CD2 4.22Å; V431-F442 HydrophobicContact CG2-CE2 4.16Å; V431-F667 HydrophobicContact CG2-CD1 3.93Å; V431-F667 HydrophobicContact CG2-CE1 4.08Å
432	A	96.8	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.7	173.1	0	0	0	0	0	110.3	P418 S419 G420 I439 P465 V468	P418-A432 CarbonylContact C-O 3.38Å; P418-A432 WeakPolarHBondContact CA-O 3.22Å; S419-A432 PolarHBondContact N-O 2.77Å; S419-A432 PolarHBondContact OG-O 3.21Å; G420-A432 PolarHBondContact O-N 3.19Å; A432-I439 HydrophobicContact CB-CD1 3.7Å; A432-P465 HydrophobicContact CB-CB 4.45Å; A432-V468 HydrophobicContact CB-CG1 4.13Å
433	D	95	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	98.3	172.7	-170.4	-9.5	0	0	0	110.1	F415 A416 N417 N435 N436 A437 F438	F415-D433 VanDerWaalsContact CA-OD2 3.27Å; F415-D433 WeakPolarHBondContact CA-OD2 3.44Å; F415-D433 HydrophobicContact CD1-CB 4.15Å; A416-D433 PolarHBondContact N-OD1 2.7Å; A416-D433 PolarHBondContact N-OD2 2.86Å; N417-D433 PolarHBondContact N-OD1 2.71Å; D433-N435 VanDerWaalsContact C-N 3.33Å; D433-N435 PolarHBondContact O-N 3.04Å; D433-N436 HydrophobicContact CB-CB 4.31Å; D433-N436 PolarHBondContact O-N 3.24Å; D433-N436 WeakPolarHBondContact OD2-CB 3Å; D433-N436 PolarHBondContact OD2-ND2 2.81Å; D433-A437 PolarHBondContact O-N 3.18Å; D433-A437 VanDerWaalsContact O-N 3.07Å; D433-F438 PolarHBondContact N-O 3.47Å; D433-F438 PolarHBondContact O-N 3.37Å
434	S	93.2	Very high	94	Very high	3 Å²	3	30 Å²	30	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.3	-169	-56.7	0	0	0	0	113.6	N417 S419 P465	N417-S434 PolarHBondContact O-N 3.4Å; S419-S434 PolarHBondContact OG-OG 2.98Å; S434-P465 WeakPolarHBondContact CA-O 3.29Å; S434-P465 VanDerWaalsContact CB-O 3.25Å; S434-P465 WeakPolarHBondContact CB-O 3.34Å; S434-P465 PolarHBondContact OG-O 2.95Å
435	N	90.9	Very high	93.8	Very high	99 Å²	99	35.9 Å²	35.9	53%	0.529	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-20.3	-175.1	-77.9	4.7	0	0	0	113	A416 N417 D433	A416-N435 HydrophobicContact CB-CB 3.76Å; N417-N435 HydrophobicContact CB-CB 3.97Å; D433-N435 VanDerWaalsContact C-N 3.33Å; D433-N435 PolarHBondContact O-N 3.04Å
436	N	91.7	Very high	93.7	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.059	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-4.3	174.8	-72.2	-27	0	0	0	112.9	G409 R410 A416 D433 F438	G409-N436 PolarHBondContact O-ND2 3.41Å; R410-N436 VanDerWaalsContact CG-OD1 3.28Å; R410-N436 WeakPolarHBondContact CG-OD1 3.28Å; R410-N436 PolarHBondContact NE-OD1 3.34Å; A416-N436 VanDerWaalsContact CB-CG 3.49Å; A416-N436 VanDerWaalsContact CB-ND2 3.35Å; A416-N436 WeakPolarHBondContact CB-ND2 3.48Å; A416-N436 WeakPolarHBondContact CB-OD1 3.42Å; A416-N436 PolarHBondContact N-ND2 3.23Å; D433-N436 HydrophobicContact CB-CB 4.31Å; D433-N436 PolarHBondContact O-N 3.24Å; D433-N436 WeakPolarHBondContact OD2-CB 3Å; D433-N436 PolarHBondContact OD2-ND2 2.81Å; N436-F438 HydrophobicContact CB-CD2 3.73Å; N436-F438 HydrophobicContact CB-CE2 4.26Å; N436-F438 VanDerWaalsContact O-CD2 3.25Å; N436-F438 WeakPolarHBondContact O-CD2 3.47Å; N436-F438 WeakPolarHBondContact O-CE2 3.36Å; N436-F438 WeakPolarHBondContact O-CG 3.4Å; N436-F438 PolarHBondContact O-N 2.91Å
437	A	93.5	Very high	93.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	34	-177.6	0	0	0	0	0	113.7	D433 Y455 L462	D433-A437 PolarHBondContact O-N 3.18Å; D433-A437 VanDerWaalsContact O-N 3.07Å; A437-Y455 HydrophobicContact CB-CD2 4.16Å; A437-L462 HydrophobicContact CB-CB 4.26Å; A437-L462 WeakPolarHBondContact CB-O 3.37Å
438	F	94	Very high	93.8	Very high	41 Å²	41	26.9 Å²	26.9	18%	0.18	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.3	179.9	-63.4	-48.8	0	0	0	111.5	D433 N436 F452 G453	D433-F438 PolarHBondContact N-O 3.47Å; D433-F438 PolarHBondContact O-N 3.37Å; N436-F438 HydrophobicContact CB-CD2 3.73Å; N436-F438 HydrophobicContact CB-CE2 4.26Å; N436-F438 VanDerWaalsContact O-CD2 3.25Å; N436-F438 WeakPolarHBondContact O-CD2 3.47Å; N436-F438 WeakPolarHBondContact O-CE2 3.36Å; N436-F438 WeakPolarHBondContact O-CG 3.4Å; N436-F438 PolarHBondContact O-N 2.91Å; F438-F452 WeakPolarHBondContact CA-O 3.18Å; F438-G453 WeakPolarHBondContact CD1-O 3.48Å; F438-G453 WeakPolarHBondContact CE1-O 3.46Å
439	I	96.3	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.3	158.5	-52.5	-53	0	0	0	107.8	L430 V431 A432 R451 F452 L462 P465 V468 V478	L430-I439 HydrophobicContact CB-CG2 4.39Å; L430-I439 HydrophobicContact CD2-CG2 4.29Å; V431-I439 WeakPolarHBondContact O-CA 3.33Å; A432-I439 HydrophobicContact CB-CD1 3.7Å; I439-R451 CarbonylContact O-C 3.5Å; I439-R451 VanDerWaalsContact O-CA 3.22Å; I439-R451 WeakPolarHBondContact O-CA 3.17Å; I439-R451 WeakPolarHBondContact O-CB 3.49Å; I439-F452 HydrophobicContact CB-CD1 4.23Å; I439-F452 HydrophobicContact CB-CD2 4.22Å; I439-F452 HydrophobicContact CB-CE1 3.77Å; I439-F452 HydrophobicContact CB-CE2 3.73Å; I439-F452 HydrophobicContact CB-CG 4.46Å; I439-F452 HydrophobicContact CB-CZ 3.5Å; I439-F452 HydrophobicContact CG1-CD2 4.45Å; I439-F452 HydrophobicContact CG1-CE2 3.82Å; I439-F452 HydrophobicContact CG1-CZ 3.97Å; I439-F452 HydrophobicContact CG2-CE1 3.68Å; I439-F452 HydrophobicContact CG2-CE2 4.22Å; I439-F452 HydrophobicContact CG2-CZ 3.49Å; I439-F452 VanDerWaalsContact CG2-CZ 3.49Å; I439-F452 PolarHBondContact N-O 2.85Å; I439-F452 PolarHBondContact O-N 3.04Å; I439-L462 HydrophobicContact CG1-CD1 4.21Å; I439-P465 HydrophobicContact CD1-CB 3.81Å; I439-P465 HydrophobicContact CD1-CG 4.34Å; I439-V468 HydrophobicContact CD1-CG1 3.59Å; I439-V468 HydrophobicContact CG1-CG1 4.18Å; I439-V468 HydrophobicContact CG2-CG1 3.98Å; I439-V478 HydrophobicContact CD1-CG1 3.83Å; I439-V478 HydrophobicContact CD1-CG2 4.08Å; I439-V478 HydrophobicContact CG1-CG1 4.22Å; I439-V478 HydrophobicContact CG1-CG2 3.72Å
440	Q	95.5	Very high	93.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.3	177.6	-62.9	-164.9	57.9	0	0	110.6	E414 F415 L430 V431 F442 F448 R451	E414-Q440 PolarHBondContact O-NE2 3.44Å; F415-Q440 HydrophobicContact CE1-CB 4.28Å; F415-Q440 HydrophobicContact CE1-CG 4.37Å; L430-Q440 WeakPolarHBondContact CA-O 3.43Å; V431-Q440 PolarHBondContact N-O 3.28Å; V431-Q440 PolarHBondContact O-N 3.45Å; Q440-F442 HydrophobicContact CB-CD2 4.39Å; Q440-F442 HydrophobicContact CB-CE2 3.43Å; Q440-F442 VanDerWaalsContact CB-CE2 3.43Å; Q440-F442 HydrophobicContact CB-CZ 3.81Å; Q440-F448 HydrophobicContact CB-CE2 4.48Å; Q440-F448 HydrophobicContact CG-CE2 4.47Å; Q440-R451 HydrophobicContact CG-CB 3.98Å
441	V	96.2	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.3	-176.6	-166	0	0	0	0	109.7	K428 I429 L430 I449 F450 F452	K428-V441 HydrophobicContact CB-CG1 4Å; K428-V441 HydrophobicContact CD-CG1 4.22Å; K428-V441 HydrophobicContact CG-CG1 4.44Å; I429-V441 CarbonylContact O-C 3.59Å; I429-V441 VanDerWaalsContact O-CA 3.3Å; I429-V441 WeakPolarHBondContact O-CA 3.34Å; L430-V441 HydrophobicContact CD2-CB 4.26Å; L430-V441 HydrophobicContact CD2-CG1 3.97Å; L430-V441 HydrophobicContact CD2-CG2 3.61Å; V441-I449 HydrophobicContact CG1-CD1 4.19Å; V441-I449 PolarHBondContact O-N 3.29Å; V441-F450 HydrophobicContact CB-CD1 4.11Å; V441-F450 HydrophobicContact CB-CE1 3.93Å; V441-F450 HydrophobicContact CB-CZ 4.23Å; V441-F450 HydrophobicContact CG1-CE1 4.05Å; V441-F450 HydrophobicContact CG1-CZ 4.47Å; V441-F450 HydrophobicContact CG2-CD1 4.24Å; V441-F450 HydrophobicContact CG2-CD2 4.18Å; V441-F450 HydrophobicContact CG2-CE1 3.85Å; V441-F450 HydrophobicContact CG2-CE2 3.8Å; V441-F450 HydrophobicContact CG2-CG 4.39Å; V441-F450 HydrophobicContact CG2-CZ 3.61Å; V441-F450 PolarHBondContact N-O 3.25Å; V441-F452 HydrophobicContact CG2-CD1 4.09Å; V441-F452 HydrophobicContact CG2-CE1 3.74Å
442	F	95.9	Very high	93.4	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.3	-179.9	-55.2	-97.2	0	0	0	111.9	V405 F415 K428 I429 V431 Q440 Q447 F448 F667	V405-F442 HydrophobicContact CG1-CD1 4.07Å; V405-F442 HydrophobicContact CG1-CE1 3.88Å; F415-F442 HydrophobicContact CE1-CE2 4.23Å; F415-F442 HydrophobicContact CE1-CZ 4.29Å; F415-F442 HydrophobicContact CE2-CZ 4.25Å; F415-F442 AromaticContact CZ-CE2 3.62Å; F415-F442 HydrophobicContact CZ-CE2 3.62Å; F415-F442 AromaticContact CZ-CZ 3.53Å; F415-F442 HydrophobicContact CZ-CZ 3.53Å; K428-F442 CarbonylContact C-O 3.57Å; K428-F442 WeakPolarHBondContact CA-O 3.29Å; I429-F442 HydrophobicContact CB-CB 4.22Å; I429-F442 PolarHBondContact N-O 3.41Å; I429-F442 PolarHBondContact O-N 2.96Å; V431-F442 HydrophobicContact CB-CE2 4.46Å; V431-F442 HydrophobicContact CG2-CD2 4.22Å; V431-F442 HydrophobicContact CG2-CE2 4.16Å; Q440-F442 HydrophobicContact CB-CD2 4.39Å; Q440-F442 HydrophobicContact CB-CE2 3.43Å; Q440-F442 VanDerWaalsContact CB-CE2 3.43Å; Q440-F442 HydrophobicContact CB-CZ 3.81Å; F442-Q447 CarbonylContact C-O 3.48Å; F442-Q447 WeakPolarHBondContact CA-O 3.42Å; F442-Q447 WeakPolarHBondContact CB-O 3.47Å; F442-F448 HydrophobicContact CD1-CB 4.05Å; F442-F448 HydrophobicContact CD1-CD2 4.49Å; F442-F448 HydrophobicContact CE1-CB 3.9Å; F442-F448 AromaticContact CE1-CD2 3.91Å; F442-F448 HydrophobicContact CE1-CD2 3.91Å; F442-F448 HydrophobicContact CE1-CG 4.42Å; F442-F448 HydrophobicContact CZ-CD2 4.13Å; F442-F667 AromaticContact CD2-CE1 3.97Å; F442-F667 HydrophobicContact CD2-CE1 3.97Å; F442-F667 HydrophobicContact CD2-CZ 4.34Å; F442-F667 HydrophobicContact CE2-CE1 4.04Å; F442-F667 HydrophobicContact CG-CE1 4.25Å; F442-F667 HydrophobicContact CG-CZ 4.28Å; F442-F667 HydrophobicContact CZ-CE1 4.39Å
443	T	93.5	Very high	93	Very high	29 Å²	29	36.7 Å²	36.7	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	162.6	166.7	67.9	0	0	0	0	111.1	I429 Q445 G446 Q447 I449	I429-T443 VanDerWaalsContact CD1-O 3.26Å; I429-T443 WeakPolarHBondContact CD1-O 3.44Å; T443-Q445 PolarHBondContact O-N 3.41Å; T443-Q445 PolarHBondContact OG1-N 2.77Å; T443-Q445 PolarHBondContact OG1-OE1 3.33Å; T443-G446 PolarHBondContact O-N 3.22Å; T443-Q447 HydrophobicContact CG2-CB 4.2Å; T443-Q447 PolarHBondContact N-O 3.27Å; T443-Q447 WeakPolarHBondContact OG1-CB 3.19Å; T443-Q447 PolarHBondContact OG1-N 3.23Å; T443-Q447 VanDerWaalsContact OG1-N 3.13Å; T443-I449 HydrophobicContact CG2-CD1 3.81Å; T443-I449 HydrophobicContact CG2-CG1 3.85Å
444	L	90.8	Very high	92.7	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-3.8	170.7	-78	-177.4	0	0	0	115.1	Y403 V423 N427 I429 H651 K656	Y403-L444 PolarHBondContact OH-O 3.01Å; V423-L444 HydrophobicContact CG1-CD2 4.19Å; N427-L444 HydrophobicContact CB-CD1 3.54Å; N427-L444 HydrophobicContact CB-CG 3.94Å; N427-L444 WeakPolarHBondContact O-CG 3.18Å; I429-L444 HydrophobicContact CD1-CD2 4.5Å; I429-L444 HydrophobicContact CG1-CD2 4.2Å; L444-H651 VanDerWaalsContact CD1-CE1 3.41Å; L444-H651 WeakPolarHBondContact CD1-CE1 3.27Å; L444-H651 HydrophobicContact CD2-CB 4.35Å; L444-K656 PolarHBondContact O-NZ 3.49Å
445	Q	89.1	Confident	92.7	Very high	129 Å²	129	49.1 Å²	49.1	60%	0.603	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-1.1	173.5	-62.9	74.5	24.2	0	0	111.9	T443	T443-Q445 PolarHBondContact O-N 3.41Å; T443-Q445 PolarHBondContact OG1-N 2.77Å; T443-Q445 PolarHBondContact OG1-OE1 3.33Å
446	G	89.4	Confident	92.6	Very high	13 Å²	13	44.7 Å²	44.7	13%	0.134	21%	0.213	C	C	.	.	S	Bend	trans	87.9	11.9	179.1	0	0	0	0	0	115.3	T443	T443-G446 PolarHBondContact O-N 3.22Å
447	Q	91.7	Very high	92.3	Very high	106 Å²	106	51.4 Å²	51.4	50%	0.495	24%	0.238	S	C	.	.			trans	-82.3	132.2	177.3	-62.6	179	-25.8	0	0	110.3	F442 T443	F442-Q447 CarbonylContact C-O 3.48Å; F442-Q447 WeakPolarHBondContact CA-O 3.42Å; F442-Q447 WeakPolarHBondContact CB-O 3.47Å; T443-Q447 HydrophobicContact CG2-CB 4.2Å; T443-Q447 PolarHBondContact N-O 3.27Å; T443-Q447 WeakPolarHBondContact OG1-CB 3.19Å; T443-Q447 PolarHBondContact OG1-N 3.23Å; T443-Q447 VanDerWaalsContact OG1-N 3.13Å
448	F	92.9	Very high	91.9	Very high	65 Å²	65	57.7 Å²	57.7	29%	0.285	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.9	175.5	175.8	-95	0	0	0	110.9	N412 Q440 F442 F450 R451	N412-F448 HydrophobicContact CB-CD1 3.92Å; N412-F448 HydrophobicContact CB-CD2 4.27Å; N412-F448 HydrophobicContact CB-CE1 3.65Å; N412-F448 HydrophobicContact CB-CE2 4.02Å; N412-F448 HydrophobicContact CB-CG 4.21Å; N412-F448 HydrophobicContact CB-CZ 3.69Å; Q440-F448 HydrophobicContact CB-CE2 4.48Å; Q440-F448 HydrophobicContact CG-CE2 4.47Å; F442-F448 HydrophobicContact CD1-CB 4.05Å; F442-F448 HydrophobicContact CD1-CD2 4.49Å; F442-F448 HydrophobicContact CE1-CB 3.9Å; F442-F448 AromaticContact CE1-CD2 3.91Å; F442-F448 HydrophobicContact CE1-CD2 3.91Å; F442-F448 HydrophobicContact CE1-CG 4.42Å; F442-F448 HydrophobicContact CZ-CD2 4.13Å; F448-F450 WeakPolarHBondContact CE2-O 3.38Å; F448-F450 VanDerWaalsContact CZ-CA 3.49Å; F448-R451 HydrophobicContact CE2-CB 4.07Å; F448-R451 HydrophobicContact CZ-CB 4.06Å; F448-R451 HydrophobicContact CZ-CG 4.17Å
449	I	92.7	Very high	91.4	Very high	76 Å²	76	59.9 Å²	59.9	39%	0.39	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-62.5	176.8	-47.5	179.2	0	0	0	109.5	K428 V441 T443	K428-I449 HydrophobicContact CG-CD1 4.22Å; V441-I449 HydrophobicContact CG1-CD1 4.19Å; V441-I449 PolarHBondContact O-N 3.29Å; T443-I449 HydrophobicContact CG2-CD1 3.81Å; T443-I449 HydrophobicContact CG2-CG1 3.85Å
450	F	94	Very high	90.7	Very high	53 Å²	53	60.7 Å²	60.7	23%	0.232	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	173.7	178	67.7	-82	0	0	0	110.3	V441 F448 F452	V441-F450 HydrophobicContact CB-CD1 4.11Å; V441-F450 HydrophobicContact CB-CE1 3.93Å; V441-F450 HydrophobicContact CB-CZ 4.23Å; V441-F450 HydrophobicContact CG1-CE1 4.05Å; V441-F450 HydrophobicContact CG1-CZ 4.47Å; V441-F450 HydrophobicContact CG2-CD1 4.24Å; V441-F450 HydrophobicContact CG2-CD2 4.18Å; V441-F450 HydrophobicContact CG2-CE1 3.85Å; V441-F450 HydrophobicContact CG2-CE2 3.8Å; V441-F450 HydrophobicContact CG2-CG 4.39Å; V441-F450 HydrophobicContact CG2-CZ 3.61Å; V441-F450 PolarHBondContact N-O 3.25Å; F448-F450 WeakPolarHBondContact CE2-O 3.38Å; F448-F450 VanDerWaalsContact CZ-CA 3.49Å; F450-F452 HydrophobicContact CD2-CD1 4.11Å; F450-F452 AromaticContact CE2-CD1 3.56Å; F450-F452 HydrophobicContact CE2-CD1 3.56Å; F450-F452 HydrophobicContact CE2-CE1 4.17Å; F450-F452 HydrophobicContact CE2-CG 4.47Å; F450-F452 HydrophobicContact CZ-CD1 4.46Å
451	R	94.4	Very high	90.5	Very high	90 Å²	90	62.3 Å²	62.3	34%	0.34	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.3	171.8	66.9	-174.9	-177.3	179.7	2.8	110.1	R410 N412 I439 Q440 F448	R410-R451 PolarHBondContact O-NH1 3.05Å; N412-R451 VanDerWaalsContact OD1-CZ 3.3Å; N412-R451 PolarHBondContact OD1-NE 2.78Å; I439-R451 CarbonylContact O-C 3.5Å; I439-R451 VanDerWaalsContact O-CA 3.22Å; I439-R451 WeakPolarHBondContact O-CA 3.17Å; I439-R451 WeakPolarHBondContact O-CB 3.49Å; Q440-R451 HydrophobicContact CG-CB 3.98Å; F448-R451 HydrophobicContact CE2-CB 4.07Å; F448-R451 HydrophobicContact CZ-CB 4.06Å; F448-R451 HydrophobicContact CZ-CG 4.17Å
452	F	93.7	Very high	90.3	Very high	15 Å²	15	62.3 Å²	62.3	7%	0.066	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.6	176	63.5	-87.2	0	0	0	110.7	L430 F438 I439 V441 F450 Y476 V478 Y489	L430-F452 HydrophobicContact CD2-CE1 4.43Å; F438-F452 WeakPolarHBondContact CA-O 3.18Å; I439-F452 HydrophobicContact CB-CD1 4.23Å; I439-F452 HydrophobicContact CB-CD2 4.22Å; I439-F452 HydrophobicContact CB-CE1 3.77Å; I439-F452 HydrophobicContact CB-CE2 3.73Å; I439-F452 HydrophobicContact CB-CG 4.46Å; I439-F452 HydrophobicContact CB-CZ 3.5Å; I439-F452 HydrophobicContact CG1-CD2 4.45Å; I439-F452 HydrophobicContact CG1-CE2 3.82Å; I439-F452 HydrophobicContact CG1-CZ 3.97Å; I439-F452 HydrophobicContact CG2-CE1 3.68Å; I439-F452 HydrophobicContact CG2-CE2 4.22Å; I439-F452 HydrophobicContact CG2-CZ 3.49Å; I439-F452 VanDerWaalsContact CG2-CZ 3.49Å; I439-F452 PolarHBondContact N-O 2.85Å; I439-F452 PolarHBondContact O-N 3.04Å; V441-F452 HydrophobicContact CG2-CD1 4.09Å; V441-F452 HydrophobicContact CG2-CE1 3.74Å; F450-F452 HydrophobicContact CD2-CD1 4.11Å; F450-F452 AromaticContact CE2-CD1 3.56Å; F450-F452 HydrophobicContact CE2-CD1 3.56Å; F450-F452 HydrophobicContact CE2-CE1 4.17Å; F450-F452 HydrophobicContact CE2-CG 4.47Å; F450-F452 HydrophobicContact CZ-CD1 4.46Å; F452-Y476 AromaticContact CE1-CD2 3.96Å; F452-Y476 HydrophobicContact CE1-CD2 3.96Å; F452-Y476 HydrophobicContact CE1-CE2 4.27Å; F452-Y476 AromaticContact CZ-CD2 3.69Å; F452-Y476 HydrophobicContact CZ-CD2 3.69Å; F452-Y476 HydrophobicContact CZ-CE2 4.45Å; F452-V478 HydrophobicContact CE2-CG2 4.42Å; F452-Y489 AromaticContact CD2-CD1 3.69Å; F452-Y489 HydrophobicContact CD2-CD1 3.69Å; F452-Y489 HydrophobicContact CD2-CD2 4.27Å; F452-Y489 AromaticContact CD2-CE1 3.94Å; F452-Y489 HydrophobicContact CD2-CE1 3.94Å; F452-Y489 HydrophobicContact CD2-CE2 4.46Å; F452-Y489 AromaticContact CD2-CG 3.88Å; F452-Y489 HydrophobicContact CD2-CG 3.88Å; F452-Y489 AromaticContact CE2-CD1 3.88Å; F452-Y489 HydrophobicContact CE2-CD1 3.88Å; F452-Y489 AromaticContact CE2-CD2 3.7Å; F452-Y489 HydrophobicContact CE2-CD2 3.7Å; F452-Y489 HydrophobicContact CE2-CE1 4.34Å; F452-Y489 HydrophobicContact CE2-CE2 4.14Å; F452-Y489 AromaticContact CE2-CG 3.55Å; F452-Y489 HydrophobicContact CE2-CG 3.55Å
453	G	89.1	Confident	90.2	Very high	21 Å²	21	63.2 Å²	63.2	22%	0.216	31%	0.306	C	S	.	.			trans	102.4	154.3	-164.7	0	0	0	0	0	111	F438	F438-G453 WeakPolarHBondContact CD1-O 3.48Å; F438-G453 WeakPolarHBondContact CE1-O 3.46Å
454	E	89	Confident	90.3	Very high	118 Å²	118	66.5 Å²	66.5	55%	0.551	32%	0.315	S	S	*	.			trans	-148.5	144	172	-178.3	-175.9	-155.1	0	0	106.6	G456 Q461 L462	E454-G456 PolarHBondContact O-N 2.88Å; E454-Q461 HydrophobicContact CB-CG 4.34Å; E454-Q461 CarbonylContact O-C 3.59Å; E454-Q461 VanDerWaalsContact O-CA 3.25Å; E454-Q461 WeakPolarHBondContact O-CA 3.42Å; E454-Q461 VanDerWaalsContact O-CB 3.28Å; E454-Q461 WeakPolarHBondContact O-CB 3.37Å; E454-Q461 PolarHBondContact OE2-NE2 3.15Å; E454-L462 PolarHBondContact O-N 3.43Å; E454-L462 VanDerWaalsContact O-O 3.1Å
455	Y	91.8	Very high	90.6	Very high	146 Å²	146	65.7 Å²	65.7	57%	0.573	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-61.8	123.6	177.2	-178.9	-96.3	0	0	0	111.4	A437 L462 M463	A437-Y455 HydrophobicContact CB-CD2 4.16Å; Y455-L462 CarbonylContact C-O 3.43Å; Y455-L462 WeakPolarHBondContact CA-O 3.3Å; Y455-M463 HydrophobicContact CD2-SD 4.07Å; Y455-M463 HydrophobicContact CE1-CE 4.4Å; Y455-M463 HydrophobicContact CE1-SD 4.13Å; Y455-M463 HydrophobicContact CE2-CE 3.59Å; Y455-M463 HydrophobicContact CE2-SD 3.59Å; Y455-M463 VanDerWaalsContact CE2-SD 3.59Å; Y455-M463 VanDerWaalsContact CZ-CE 3.48Å; Y455-M463 WeakPolarHBondContact OH-CE 3.31Å
456	G	88.6	Confident	91	Very high	6 Å²	6	60.2 Å²	60.2	6%	0.062	29%	0.286	C	S	.	.	S	Bend	trans	154.3	-176.4	172	0	0	0	0	0	114.5	E454 Q461 L462 M463	E454-G456 PolarHBondContact O-N 2.88Å; G456-Q461 VanDerWaalsContact C-CB 3.48Å; G456-Q461 WeakPolarHBondContact O-CB 3.19Å; G456-L462 PolarHBondContact N-O 3.18Å; G456-L462 CarbonylContact O-C 3.58Å; G456-M463 WeakPolarHBondContact O-CG 3.3Å
457	Y	87.3	Confident	91.3	Very high	152 Å²	152	59.7 Å²	59.7	60%	0.596	28%	0.28	S	S	*	.	S	Bend	trans	-100.8	-20.3	-170.6	-58	-87	0	0	0	113.8	M463 L483 R498	Y457-M463 HydrophobicContact CD1-CE 4.5Å; Y457-M463 HydrophobicContact CD1-CG 4.01Å; Y457-M463 HydrophobicContact CD1-SD 4.08Å; Y457-M463 HydrophobicContact CD2-SD 4.16Å; Y457-M463 HydrophobicContact CE1-CE 3.62Å; Y457-M463 HydrophobicContact CE1-CG 3.95Å; Y457-M463 HydrophobicContact CE1-SD 3.76Å; Y457-M463 HydrophobicContact CE2-CE 4.03Å; Y457-M463 HydrophobicContact CE2-SD 3.85Å; Y457-M463 HydrophobicContact CG-SD 4.27Å; Y457-M463 WeakPolarHBondContact OH-CE 3.46Å; Y457-L483 HydrophobicContact CD1-CD2 3.67Å; Y457-L483 HydrophobicContact CE1-CD2 4.44Å; Y457-L483 HydrophobicContact CG-CD2 4.4Å; Y457-R498 PolarHBondContact O-NH1 2.81Å
458	H	84.7	Confident	91.6	Very high	132 Å²	132	54.9 Å²	54.9	61%	0.611	26%	0.258	S	S	*	.	S	Bend	trans	-68.5	159.3	-174	-61.6	96.2	0	0	0	111.7	G460 Q461 R498	H458-G460 PolarHBondContact O-N 3.44Å; H458-Q461 HydrophobicContact CB-CG 4.36Å; H458-Q461 VanDerWaalsContact N-OE1 3.16Å; H458-Q461 PolarHBondContact ND1-OE1 3.47Å; H458-Q461 VanDerWaalsContact ND1-OE1 3.14Å; H458-Q461 WeakPolarHBondContact O-CB 3.49Å; H458-Q461 PolarHBondContact O-N 3.06Å; H458-R498 PolarHBondContact O-NH2 3.38Å
459	P	82.2	Confident	91.7	Very high	88 Å²	88	52 Å²	52	57%	0.571	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	124.5	172.8	-28.9	37.2	0	0	0	112.2	Y495	P459-Y495 HydrophobicContact CB-CD1 4.31Å; P459-Y495 HydrophobicContact CB-CE1 3.64Å; P459-Y495 HydrophobicContact CB-CE2 4.44Å
460	G	81.9	Confident	91.8	Very high	16 Å²	16	49.7 Å²	49.7	17%	0.165	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-16.8	-177.3	0	0	0	0	0	116	H458 Y489 Y495	H458-G460 PolarHBondContact O-N 3.44Å; G460-Y489 PolarHBondContact O-OH 3.28Å; G460-Y495 VanDerWaalsContact CA-CB 3.47Å; G460-Y495 VanDerWaalsContact N-CD2 3.28Å
461	Q	91.5	Very high	91.7	Very high	36 Å²	36	47.7 Å²	47.7	17%	0.168	23%	0.226	C	C	.	.			trans	-82.8	158.2	168.3	-59.6	-175.4	-39.1	0	0	110.8	E454 G456 H458 R498	E454-Q461 HydrophobicContact CB-CG 4.34Å; E454-Q461 CarbonylContact O-C 3.59Å; E454-Q461 VanDerWaalsContact O-CA 3.25Å; E454-Q461 WeakPolarHBondContact O-CA 3.42Å; E454-Q461 VanDerWaalsContact O-CB 3.28Å; E454-Q461 WeakPolarHBondContact O-CB 3.37Å; E454-Q461 PolarHBondContact OE2-NE2 3.15Å; G456-Q461 VanDerWaalsContact C-CB 3.48Å; G456-Q461 WeakPolarHBondContact O-CB 3.19Å; H458-Q461 HydrophobicContact CB-CG 4.36Å; H458-Q461 VanDerWaalsContact N-OE1 3.16Å; H458-Q461 PolarHBondContact ND1-OE1 3.47Å; H458-Q461 VanDerWaalsContact ND1-OE1 3.14Å; H458-Q461 WeakPolarHBondContact O-CB 3.49Å; H458-Q461 PolarHBondContact O-N 3.06Å; Q461-R498 PolarHBondContact O-NH2 3.33Å
462	L	92.8	Very high	91.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-127.4	146.9	-179.5	-61.7	172.4	0	0	0	108.4	A437 I439 E454 Y455 G456 P465 V478 D480 Y489	A437-L462 HydrophobicContact CB-CB 4.26Å; A437-L462 WeakPolarHBondContact CB-O 3.37Å; I439-L462 HydrophobicContact CG1-CD1 4.21Å; E454-L462 PolarHBondContact O-N 3.43Å; E454-L462 VanDerWaalsContact O-O 3.1Å; Y455-L462 CarbonylContact C-O 3.43Å; Y455-L462 WeakPolarHBondContact CA-O 3.3Å; G456-L462 PolarHBondContact N-O 3.18Å; G456-L462 CarbonylContact O-C 3.58Å; L462-P465 HydrophobicContact CB-CG 4.42Å; L462-P465 HydrophobicContact CD1-CB 4.16Å; L462-P465 HydrophobicContact CD1-CG 4.2Å; L462-V478 HydrophobicContact CD1-CG1 4.29Å; L462-V478 HydrophobicContact CD2-CG1 3.99Å; L462-D480 WeakPolarHBondContact CA-OD2 3.28Å; L462-Y489 HydrophobicContact CD2-CE2 4.24Å; L462-Y489 WeakPolarHBondContact CD2-OH 3.19Å; L462-Y489 WeakPolarHBondContact CG-OH 3.42Å
463	M	93.7	Very high	91.1	Very high	19 Å²	19	53.1 Å²	53.1	9%	0.094	26%	0.262	C	S	.	.	S	Bend	trans	-107.1	-50	173.2	-72.3	-69.2	-63.6	0	0	110.5	Y455 G456 Y457 D480 D482 L483	Y455-M463 HydrophobicContact CD2-SD 4.07Å; Y455-M463 HydrophobicContact CE1-CE 4.4Å; Y455-M463 HydrophobicContact CE1-SD 4.13Å; Y455-M463 HydrophobicContact CE2-CE 3.59Å; Y455-M463 HydrophobicContact CE2-SD 3.59Å; Y455-M463 VanDerWaalsContact CE2-SD 3.59Å; Y455-M463 VanDerWaalsContact CZ-CE 3.48Å; Y455-M463 WeakPolarHBondContact OH-CE 3.31Å; G456-M463 WeakPolarHBondContact O-CG 3.3Å; Y457-M463 HydrophobicContact CD1-CE 4.5Å; Y457-M463 HydrophobicContact CD1-CG 4.01Å; Y457-M463 HydrophobicContact CD1-SD 4.08Å; Y457-M463 HydrophobicContact CD2-SD 4.16Å; Y457-M463 HydrophobicContact CE1-CE 3.62Å; Y457-M463 HydrophobicContact CE1-CG 3.95Å; Y457-M463 HydrophobicContact CE1-SD 3.76Å; Y457-M463 HydrophobicContact CE2-CE 4.03Å; Y457-M463 HydrophobicContact CE2-SD 3.85Å; Y457-M463 HydrophobicContact CG-SD 4.27Å; Y457-M463 WeakPolarHBondContact OH-CE 3.46Å; M463-D480 PolarHBondContact N-OD2 3.42Å; M463-D482 HydrophobicContact CB-CB 3.99Å; M463-L483 HydrophobicContact CB-CD2 4.29Å; M463-L483 HydrophobicContact CB-CG 3.97Å; M463-L483 HydrophobicContact CG-CD1 4.24Å; M463-L483 HydrophobicContact CG-CD2 3.51Å; M463-L483 HydrophobicContact CG-CG 3.7Å
464	R	95.6	Very high	91.1	Very high	99 Å²	99	52.7 Å²	52.7	37%	0.374	26%	0.257	S	S	.	.			trans	-148.3	77.1	-177.6	-169.7	175.1	178.6	163.2	3	110.3	V466 D480 Y481 D482	R464-V466 HydrophobicContact CG-CG2 4.3Å; R464-V466 WeakPolarHBondContact O-CG2 3.46Å; R464-V466 PolarHBondContact O-N 2.96Å; R464-D480 PolarHBondContact N-OD1 3.17Å; R464-D480 PolarHBondContact N-OD2 3.12Å; R464-D480 VanDerWaalsContact N-OD2 3.12Å; R464-D480 WeakPolarHBondContact O-CA 3.22Å; R464-Y481 PolarHBondContact O-N 2.76Å; R464-D482 HydrophobicContact CB-CB 4.14Å; R464-D482 WeakPolarHBondContact CB-OD2 3.45Å; R464-D482 WeakPolarHBondContact CD-OD2 3.48Å
465	P	96.7	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.9	175.9	27.8	-32.6	0	0	0	109.7	A432 S434 I439 L462 V478 S479	A432-P465 HydrophobicContact CB-CB 4.45Å; S434-P465 WeakPolarHBondContact CA-O 3.29Å; S434-P465 VanDerWaalsContact CB-O 3.25Å; S434-P465 WeakPolarHBondContact CB-O 3.34Å; S434-P465 PolarHBondContact OG-O 2.95Å; I439-P465 HydrophobicContact CD1-CB 3.81Å; I439-P465 HydrophobicContact CD1-CG 4.34Å; L462-P465 HydrophobicContact CB-CG 4.42Å; L462-P465 HydrophobicContact CD1-CB 4.16Å; L462-P465 HydrophobicContact CD1-CG 4.2Å; P465-V478 HydrophobicContact CB-CG1 3.59Å; P465-S479 CarbonylContact C-O 3.38Å; P465-S479 WeakPolarHBondContact CA-O 3.42Å
466	V	96.5	Very high	91.5	Very high	13 Å²	13	41.8 Å²	41.8	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-35.6	-176	-174.8	0	0	0	0	112.9	S419 G420 R464 S479 Y481 K508	S419-V466 WeakPolarHBondContact CB-O 3.31Å; S419-V466 PolarHBondContact OG-O 3.5Å; G420-V466 WeakPolarHBondContact CA-O 3.34Å; G420-V466 PolarHBondContact N-O 2.95Å; R464-V466 HydrophobicContact CG-CG2 4.3Å; R464-V466 WeakPolarHBondContact O-CG2 3.46Å; R464-V466 PolarHBondContact O-N 2.96Å; V466-S479 PolarHBondContact N-O 2.89Å; V466-Y481 HydrophobicContact CG2-CG 4.47Å; V466-K508 HydrophobicContact CB-CG 4.47Å; V466-K508 HydrophobicContact CG1-CG 3.56Å
467	D	97.3	Very high	91.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	159.6	178.7	-157.7	19.6	0	0	0	112.9	G420 V478 S479 K508 G509 M510 F556	G420-D467 VanDerWaalsContact CA-OD1 3.29Å; G420-D467 WeakPolarHBondContact CA-OD1 3.35Å; D467-V478 WeakPolarHBondContact O-CA 3.12Å; D467-S479 WeakPolarHBondContact CA-OG 3.49Å; D467-S479 WeakPolarHBondContact CB-OG 3.46Å; D467-S479 PolarHBondContact N-OG 3.49Å; D467-S479 PolarHBondContact O-N 2.87Å; D467-S479 PolarHBondContact O-OG 3.1Å; D467-K508 WeakPolarHBondContact CB-O 3.47Å; D467-G509 VanDerWaalsContact OD2-CA 3.3Å; D467-G509 WeakPolarHBondContact OD2-CA 3.41Å; D467-M510 PolarHBondContact OD2-N 2.93Å; D467-F556 WeakPolarHBondContact OD2-CE2 3.46Å
468	V	97	Very high	92.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.7	-177.3	-79.4	0	0	0	0	110.4	C422 L430 A432 I439 L477 V478	C422-V468 HydrophobicContact CB-CB 4.3Å; C422-V468 HydrophobicContact CB-CG2 3.83Å; C422-V468 VanDerWaalsContact CB-O 3.31Å; C422-V468 WeakPolarHBondContact CB-O 3.49Å; L430-V468 HydrophobicContact CB-CB 4.32Å; L430-V468 HydrophobicContact CB-CG2 4.04Å; A432-V468 HydrophobicContact CB-CG1 4.13Å; I439-V468 HydrophobicContact CD1-CG1 3.59Å; I439-V468 HydrophobicContact CG1-CG1 4.18Å; I439-V468 HydrophobicContact CG2-CG1 3.98Å; V468-L477 VanDerWaalsContact CA-O 3.27Å; V468-L477 WeakPolarHBondContact CA-O 3.27Å; V468-V478 HydrophobicContact CG1-CG2 4.19Å
469	A	96.2	Very high	92.9	Very high	6 Å²	6	28 Å²	28	5%	0.05	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.6	173.8	0	0	0	0	0	110.9	Y476 L477 M510 V512	A469-Y476 CarbonylContact O-C 3.48Å; A469-L477 HydrophobicContact CB-CB 4.37Å; A469-L477 HydrophobicContact CB-CD1 4.48Å; A469-L477 PolarHBondContact N-O 3.34Å; A469-L477 PolarHBondContact O-N 3.17Å; A469-M510 HydrophobicContact CB-CE 4.17Å; A469-M510 HydrophobicContact CB-CG 4.33Å; A469-V512 HydrophobicContact CB-CG2 4.43Å
470	E	94.5	Very high	93.6	Very high	27 Å²	27	23.9 Å²	23.9	13%	0.126	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.7	174.9	-167.3	-172.2	-175.2	0	0	109.9	T424 R425 G474 V512	T424-E470 WeakPolarHBondContact CA-OE2 3.46Å; T424-E470 WeakPolarHBondContact CB-OE2 3.41Å; R425-E470 WeakPolarHBondContact CG-OE2 3.3Å; R425-E470 PolarHBondContact N-OE2 2.72Å; E470-G474 WeakPolarHBondContact OE1-CA 3.44Å; E470-V512 WeakPolarHBondContact O-CG2 3.37Å
471	T	91.3	Very high	94.2	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.067	12%	0.124	C	C	.	.			trans	-70.9	163.6	170.5	64.3	0	0	0	0	111.3	N473 G474 N475 L477	T471-N473 PolarHBondContact O-N 3.14Å; T471-N473 VanDerWaalsContact O-N 3.09Å; T471-N473 PolarHBondContact OG1-N 3.39Å; T471-G474 PolarHBondContact O-N 3.15Å; T471-G474 PolarHBondContact OG1-N 3.04Å; T471-N475 HydrophobicContact CG2-CB 4.27Å; T471-N475 PolarHBondContact N-O 2.76Å; T471-N475 WeakPolarHBondContact OG1-CA 3.44Å; T471-N475 WeakPolarHBondContact OG1-CB 3.3Å; T471-N475 PolarHBondContact OG1-N 2.78Å; T471-N475 PolarHBondContact OG1-O 3.33Å; T471-N475 VanDerWaalsContact OG1-O 3.1Å; T471-L477 HydrophobicContact CG2-CD1 3.81Å; T471-L477 HydrophobicContact CG2-CD2 3.55Å; T471-L477 HydrophobicContact CG2-CG 3.53Å
472	I	88.9	Confident	94.3	Very high	88 Å²	88	26.3 Å²	26.3	45%	0.451	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.1	173	-163.9	160	0	0	0	113.7
473	N	86.7	Confident	94.2	Very high	131 Å²	131	27.3 Å²	27.3	70%	0.701	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1.4	177.9	-64	-16.5	0	0	0	113.2	T471	T471-N473 PolarHBondContact O-N 3.14Å; T471-N473 VanDerWaalsContact O-N 3.09Å; T471-N473 PolarHBondContact OG1-N 3.39Å
474	G	89	Confident	94.3	Very high	12 Å²	12	29.7 Å²	29.7	12%	0.124	15%	0.149	C	C	.	.	S	Bend	trans	85.4	-1.7	-178.8	0	0	0	0	0	115.4	E470 T471 T491	E470-G474 WeakPolarHBondContact OE1-CA 3.44Å; T471-G474 PolarHBondContact O-N 3.15Å; T471-G474 PolarHBondContact OG1-N 3.04Å; G474-T491 WeakPolarHBondContact O-CG2 3.13Å
475	N	93.7	Very high	94.2	Very high	33 Å²	33	25 Å²	25	18%	0.176	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-72.2	149.1	173.6	-62.6	-33.1	0	0	0	111.1	T471 V488 Y489 M496	T471-N475 HydrophobicContact CG2-CB 4.27Å; T471-N475 PolarHBondContact N-O 2.76Å; T471-N475 WeakPolarHBondContact OG1-CA 3.44Å; T471-N475 WeakPolarHBondContact OG1-CB 3.3Å; T471-N475 PolarHBondContact OG1-N 2.78Å; T471-N475 PolarHBondContact OG1-O 3.33Å; T471-N475 VanDerWaalsContact OG1-O 3.1Å; N475-V488 HydrophobicContact CB-CG1 3.89Å; N475-Y489 CarbonylContact C-O 3.54Å; N475-Y489 WeakPolarHBondContact CA-O 3.13Å; N475-Y489 VanDerWaalsContact CB-O 3.31Å; N475-Y489 WeakPolarHBondContact CB-O 3.26Å; N475-M496 HydrophobicContact CB-SD 4.3Å; N475-M496 VanDerWaalsContact CG-SD 3.55Å
476	Y	94.9	Very high	94.1	Very high	2 Å²	2	25 Å²	25	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.2	178	-50.2	-32.1	0	0	0	110.7	T424 L430 F452 A469 V488 Y489 N490 T491	T424-Y476 HydrophobicContact CG2-CD1 4.46Å; T424-Y476 HydrophobicContact CG2-CE1 3.82Å; L430-Y476 HydrophobicContact CD1-CD1 3.53Å; L430-Y476 HydrophobicContact CD1-CD2 4.36Å; L430-Y476 HydrophobicContact CD1-CE1 3.83Å; L430-Y476 HydrophobicContact CD1-CG 3.83Å; L430-Y476 HydrophobicContact CD2-CD2 4.12Å; L430-Y476 HydrophobicContact CD2-CE1 4.42Å; L430-Y476 HydrophobicContact CD2-CE2 3.93Å; L430-Y476 HydrophobicContact CD2-CG 4.42Å; F452-Y476 AromaticContact CE1-CD2 3.96Å; F452-Y476 HydrophobicContact CE1-CD2 3.96Å; F452-Y476 HydrophobicContact CE1-CE2 4.27Å; F452-Y476 AromaticContact CZ-CD2 3.69Å; F452-Y476 HydrophobicContact CZ-CD2 3.69Å; F452-Y476 HydrophobicContact CZ-CE2 4.45Å; A469-Y476 CarbonylContact O-C 3.48Å; Y476-V488 CarbonylContact O-C 3.6Å; Y476-V488 WeakPolarHBondContact O-CA 3.47Å; Y476-Y489 PolarHBondContact N-O 3.32Å; Y476-Y489 PolarHBondContact O-N 3.18Å; Y476-N490 WeakPolarHBondContact CD2-O 3.03Å; Y476-T491 HydrophobicContact CE1-CG2 4.35Å; Y476-T491 WeakPolarHBondContact CE2-O 3.31Å; Y476-T491 PolarHBondContact OH-O 2.95Å
477	L	96.8	Very high	94	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.2	170.9	-58.8	175.8	0	0	0	108.5	V468 A469 T471 V486 T487 V488 F499 M510 V512 I518	V468-L477 VanDerWaalsContact CA-O 3.27Å; V468-L477 WeakPolarHBondContact CA-O 3.27Å; A469-L477 HydrophobicContact CB-CB 4.37Å; A469-L477 HydrophobicContact CB-CD1 4.48Å; A469-L477 PolarHBondContact N-O 3.34Å; A469-L477 PolarHBondContact O-N 3.17Å; T471-L477 HydrophobicContact CG2-CD1 3.81Å; T471-L477 HydrophobicContact CG2-CD2 3.55Å; T471-L477 HydrophobicContact CG2-CG 3.53Å; L477-V486 HydrophobicContact CB-CG1 3.97Å; L477-V486 HydrophobicContact CD2-CG1 4.08Å; L477-T487 CarbonylContact C-O 3.55Å; L477-T487 WeakPolarHBondContact CA-O 3.25Å; L477-V488 HydrophobicContact CD2-CB 4.32Å; L477-V488 HydrophobicContact CD2-CG1 4.19Å; L477-V488 HydrophobicContact CD2-CG2 3.66Å; L477-F499 HydrophobicContact CD2-CE1 4.2Å; L477-M510 HydrophobicContact CB-CE 3.32Å; L477-M510 HydrophobicContact CB-SD 3.8Å; L477-M510 HydrophobicContact CD1-CE 4.46Å; L477-M510 HydrophobicContact CD1-SD 3.95Å; L477-M510 HydrophobicContact CG-SD 4.5Å; L477-V512 HydrophobicContact CD1-CG2 3.66Å; L477-I518 HydrophobicContact CD1-CB 4.48Å; L477-I518 HydrophobicContact CD1-CD1 3.75Å; L477-I518 HydrophobicContact CD1-CG1 3.94Å; L477-I518 HydrophobicContact CD1-CG2 3.75Å; L477-I518 HydrophobicContact CD2-CD1 4.24Å
478	V	97.3	Very high	93.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.7	176.9	-178.6	0	0	0	0	108.2	I439 F452 L462 P465 D467 V468 V486 T487 Y489	I439-V478 HydrophobicContact CD1-CG1 3.83Å; I439-V478 HydrophobicContact CD1-CG2 4.08Å; I439-V478 HydrophobicContact CG1-CG1 4.22Å; I439-V478 HydrophobicContact CG1-CG2 3.72Å; F452-V478 HydrophobicContact CE2-CG2 4.42Å; L462-V478 HydrophobicContact CD1-CG1 4.29Å; L462-V478 HydrophobicContact CD2-CG1 3.99Å; P465-V478 HydrophobicContact CB-CG1 3.59Å; D467-V478 WeakPolarHBondContact O-CA 3.12Å; V468-V478 HydrophobicContact CG1-CG2 4.19Å; V478-V486 CarbonylContact O-C 3.5Å; V478-V486 VanDerWaalsContact O-CA 3.29Å; V478-V486 WeakPolarHBondContact O-CA 3.4Å; V478-T487 PolarHBondContact N-O 3.22Å; V478-T487 PolarHBondContact O-N 3.37Å; V478-Y489 HydrophobicContact CB-CD2 4.5Å; V478-Y489 HydrophobicContact CB-CE2 4.23Å; V478-Y489 HydrophobicContact CG2-CD2 3.74Å; V478-Y489 HydrophobicContact CG2-CE2 3.8Å
479	S	96.6	Very high	93.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.5	170.4	58.6	0	0	0	0	109.5	P465 V466 D467 K508	P465-S479 CarbonylContact C-O 3.38Å; P465-S479 WeakPolarHBondContact CA-O 3.42Å; V466-S479 PolarHBondContact N-O 2.89Å; D467-S479 WeakPolarHBondContact CA-OG 3.49Å; D467-S479 WeakPolarHBondContact CB-OG 3.46Å; D467-S479 PolarHBondContact N-OG 3.49Å; D467-S479 PolarHBondContact O-N 2.87Å; D467-S479 PolarHBondContact O-OG 3.1Å; S479-K508 WeakPolarHBondContact CB-O 3.44Å; S479-K508 PolarHBondContact OG-O 2.93Å
480	D	95.9	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.5	176.9	-166.4	-52.5	0	0	0	110	L462 M463 R464 D482 L483 H484 C485 P507	L462-D480 WeakPolarHBondContact CA-OD2 3.28Å; M463-D480 PolarHBondContact N-OD2 3.42Å; R464-D480 PolarHBondContact N-OD1 3.17Å; R464-D480 PolarHBondContact N-OD2 3.12Å; R464-D480 VanDerWaalsContact N-OD2 3.12Å; R464-D480 WeakPolarHBondContact O-CA 3.22Å; D480-D482 PolarHBondContact OD1-N 3.14Å; D480-D482 VanDerWaalsContact OD1-N 3.09Å; D480-L483 HydrophobicContact CB-CB 3.95Å; D480-L483 HydrophobicContact CB-CD1 4.44Å; D480-L483 HydrophobicContact CB-CG 4.42Å; D480-L483 PolarHBondContact OD1-N 3.02Å; D480-H484 PolarHBondContact O-N 3.17Å; D480-H484 VanDerWaalsContact O-N 3.08Å; D480-C485 PolarHBondContact N-O 3.14Å; D480-C485 PolarHBondContact O-N 3.46Å; D480-P507 WeakPolarHBondContact O-CG 3.38Å
481	Y	95.6	Very high	93.1	Very high	38 Å²	38	27.8 Å²	27.8	15%	0.149	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-38.5	-172.4	-177.2	-90.9	0	0	0	112.4	R464 V466 H484 Q523 K524	R464-Y481 PolarHBondContact O-N 2.76Å; V466-Y481 HydrophobicContact CG2-CG 4.47Å; Y481-H484 PolarHBondContact O-CE1 3.44Å; Y481-H484 PolarHBondContact O-ND1 3.45Å; Y481-Q523 HydrophobicContact CE2-CB 4.43Å; Y481-K524 WeakPolarHBondContact OH-CE 2.93Å
482	D	92.6	Very high	93	Very high	65 Å²	65	30.1 Å²	30.1	35%	0.348	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-28.6	-175.2	-70.3	-36	0	0	0	112	M463 R464 D480 H484	M463-D482 HydrophobicContact CB-CB 3.99Å; R464-D482 HydrophobicContact CB-CB 4.14Å; R464-D482 WeakPolarHBondContact CB-OD2 3.45Å; R464-D482 WeakPolarHBondContact CD-OD2 3.48Å; D480-D482 PolarHBondContact OD1-N 3.14Å; D480-D482 VanDerWaalsContact OD1-N 3.09Å; D482-H484 PolarHBondContact O-CE1 3.06Å; D482-H484 PolarHBondContact O-N 2.81Å
483	L	91.5	Very high	93	Very high	22 Å²	22	26.4 Å²	26.4	12%	0.115	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.8	169.4	-62.3	179.7	0	0	0	113.7	Y457 M463 D480 C485	Y457-L483 HydrophobicContact CD1-CD2 3.67Å; Y457-L483 HydrophobicContact CE1-CD2 4.44Å; Y457-L483 HydrophobicContact CG-CD2 4.4Å; M463-L483 HydrophobicContact CB-CD2 4.29Å; M463-L483 HydrophobicContact CB-CG 3.97Å; M463-L483 HydrophobicContact CG-CD1 4.24Å; M463-L483 HydrophobicContact CG-CD2 3.51Å; M463-L483 HydrophobicContact CG-CG 3.7Å; D480-L483 HydrophobicContact CB-CB 3.95Å; D480-L483 HydrophobicContact CB-CD1 4.44Å; D480-L483 HydrophobicContact CB-CG 4.42Å; D480-L483 PolarHBondContact OD1-N 3.02Å; L483-C485 PolarHBondContact O-N 3.4Å; L483-C485 VanDerWaalsContact O-N 3.11Å; L483-C485 PolarHBondContact O-SG 2.87Å; L483-C485 VanDerWaalsContact O-SG 3.36Å
484	H	94.8	Very high	93	Very high	69 Å²	69	26.3 Å²	26.3	32%	0.319	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	31.7	175.1	-54.1	-27.3	0	0	0	113.4	D480 Y481 D482 Q501 L504 S505 K524	D480-H484 PolarHBondContact O-N 3.17Å; D480-H484 VanDerWaalsContact O-N 3.08Å; Y481-H484 PolarHBondContact O-CE1 3.44Å; Y481-H484 PolarHBondContact O-ND1 3.45Å; D482-H484 PolarHBondContact O-CE1 3.06Å; D482-H484 PolarHBondContact O-N 2.81Å; H484-Q501 VanDerWaalsContact O-CA 3.22Å; H484-Q501 WeakPolarHBondContact O-CA 2.84Å; H484-L504 WeakPolarHBondContact CB-O 3.48Å; H484-L504 WeakPolarHBondContact O-CB 3.31Å; H484-S505 PolarHBondContact CE1-O 2.89Å; H484-S505 VanDerWaalsContact CE1-O 3.28Å; H484-S505 PolarHBondContact ND1-O 2.99Å; H484-K524 PolarHBondContact CE1-NZ 3.08Å
485	C	94.2	Very high	93.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	168.9	-174	62.4	0	0	0	0	113.2	D480 L483 F499 Q501	D480-C485 PolarHBondContact N-O 3.14Å; D480-C485 PolarHBondContact O-N 3.46Å; L483-C485 PolarHBondContact O-N 3.4Å; L483-C485 VanDerWaalsContact O-N 3.11Å; L483-C485 PolarHBondContact O-SG 2.87Å; L483-C485 VanDerWaalsContact O-SG 3.36Å; C485-F499 WeakPolarHBondContact CA-O 3.1Å; C485-F499 VanDerWaalsContact CB-O 3.29Å; C485-F499 WeakPolarHBondContact CB-O 3.32Å; C485-Q501 HydrophobicContact CB-CG 3.73Å
486	V	96	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123	165.8	178.4	0	0	0	0	108	L477 V478 R498 F499 L504 M510 V520	L477-V486 HydrophobicContact CB-CG1 3.97Å; L477-V486 HydrophobicContact CD2-CG1 4.08Å; V478-V486 CarbonylContact O-C 3.5Å; V478-V486 VanDerWaalsContact O-CA 3.29Å; V478-V486 WeakPolarHBondContact O-CA 3.4Å; V486-R498 CarbonylContact O-C 3.53Å; V486-R498 WeakPolarHBondContact O-CA 3.28Å; V486-R498 WeakPolarHBondContact O-CB 3.5Å; V486-F499 HydrophobicContact CB-CD1 4.44Å; V486-F499 HydrophobicContact CB-CD2 4.43Å; V486-F499 HydrophobicContact CB-CE1 3.92Å; V486-F499 HydrophobicContact CB-CE2 3.9Å; V486-F499 HydrophobicContact CB-CZ 3.61Å; V486-F499 HydrophobicContact CG1-CE1 3.76Å; V486-F499 HydrophobicContact CG1-CE2 4.35Å; V486-F499 HydrophobicContact CG1-CZ 3.57Å; V486-F499 HydrophobicContact CG2-CE2 4.29Å; V486-F499 HydrophobicContact CG2-CZ 4.29Å; V486-F499 PolarHBondContact N-O 2.81Å; V486-F499 PolarHBondContact O-N 2.82Å; V486-L504 HydrophobicContact CG2-CD1 3.99Å; V486-M510 HydrophobicContact CB-SD 4.26Å; V486-M510 HydrophobicContact CG1-CE 3.93Å; V486-M510 HydrophobicContact CG1-SD 3.47Å; V486-M510 WeakPolarHBondContact CG1-SD 3.24Å; V486-M510 HydrophobicContact CG2-SD 3.71Å; V486-V520 HydrophobicContact CG2-CG1 4.37Å; V486-V520 HydrophobicContact CG2-CG2 3.87Å
487	T	94.1	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.3	176.4	-59.2	0	0	0	0	110.2	L477 V478 Y489 Y495 R498	L477-T487 CarbonylContact C-O 3.55Å; L477-T487 WeakPolarHBondContact CA-O 3.25Å; V478-T487 PolarHBondContact N-O 3.22Å; V478-T487 PolarHBondContact O-N 3.37Å; T487-Y489 HydrophobicContact CG2-CD2 3.94Å; T487-Y489 HydrophobicContact CG2-CE1 4.5Å; T487-Y489 HydrophobicContact CG2-CE2 3.27Å; T487-Y495 HydrophobicContact CG2-CD2 3.51Å; T487-Y495 HydrophobicContact CG2-CE2 3.65Å; T487-R498 HydrophobicContact CG2-CB 4.4Å
488	V	92.9	Very high	92.2	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.085	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.5	179.4	-168.3	0	0	0	0	109.4	N475 Y476 L477 M496 S497 F499	N475-V488 HydrophobicContact CB-CG1 3.89Å; Y476-V488 CarbonylContact O-C 3.6Å; Y476-V488 WeakPolarHBondContact O-CA 3.47Å; L477-V488 HydrophobicContact CD2-CB 4.32Å; L477-V488 HydrophobicContact CD2-CG1 4.19Å; L477-V488 HydrophobicContact CD2-CG2 3.66Å; V488-M496 HydrophobicContact CB-CB 4.48Å; V488-M496 HydrophobicContact CG1-CB 4.46Å; V488-M496 HydrophobicContact CG1-SD 4.38Å; V488-M496 WeakPolarHBondContact O-CB 3.18Å; V488-M496 PolarHBondContact O-N 3.11Å; V488-S497 WeakPolarHBondContact CG2-OG 3.36Å; V488-S497 PolarHBondContact N-O 2.81Å; V488-S497 PolarHBondContact O-N 2.91Å; V488-F499 HydrophobicContact CG2-CD1 4.01Å; V488-F499 HydrophobicContact CG2-CE1 3.73Å
489	Y	91.7	Very high	92	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.5	175	-65.6	-93.9	0	0	0	110.1	F452 G460 L462 N475 Y476 V478 T487 G493 H494	F452-Y489 AromaticContact CD2-CD1 3.69Å; F452-Y489 HydrophobicContact CD2-CD1 3.69Å; F452-Y489 HydrophobicContact CD2-CD2 4.27Å; F452-Y489 AromaticContact CD2-CE1 3.94Å; F452-Y489 HydrophobicContact CD2-CE1 3.94Å; F452-Y489 HydrophobicContact CD2-CE2 4.46Å; F452-Y489 AromaticContact CD2-CG 3.88Å; F452-Y489 HydrophobicContact CD2-CG 3.88Å; F452-Y489 AromaticContact CE2-CD1 3.88Å; F452-Y489 HydrophobicContact CE2-CD1 3.88Å; F452-Y489 AromaticContact CE2-CD2 3.7Å; F452-Y489 HydrophobicContact CE2-CD2 3.7Å; F452-Y489 HydrophobicContact CE2-CE1 4.34Å; F452-Y489 HydrophobicContact CE2-CE2 4.14Å; F452-Y489 AromaticContact CE2-CG 3.55Å; F452-Y489 HydrophobicContact CE2-CG 3.55Å; G460-Y489 PolarHBondContact O-OH 3.28Å; L462-Y489 HydrophobicContact CD2-CE2 4.24Å; L462-Y489 WeakPolarHBondContact CD2-OH 3.19Å; L462-Y489 WeakPolarHBondContact CG-OH 3.42Å; N475-Y489 CarbonylContact C-O 3.54Å; N475-Y489 WeakPolarHBondContact CA-O 3.13Å; N475-Y489 VanDerWaalsContact CB-O 3.31Å; N475-Y489 WeakPolarHBondContact CB-O 3.26Å; Y476-Y489 PolarHBondContact N-O 3.32Å; Y476-Y489 PolarHBondContact O-N 3.18Å; V478-Y489 HydrophobicContact CB-CD2 4.5Å; V478-Y489 HydrophobicContact CB-CE2 4.23Å; V478-Y489 HydrophobicContact CG2-CD2 3.74Å; V478-Y489 HydrophobicContact CG2-CE2 3.8Å; T487-Y489 HydrophobicContact CG2-CD2 3.94Å; T487-Y489 HydrophobicContact CG2-CE1 4.5Å; T487-Y489 HydrophobicContact CG2-CE2 3.27Å; Y489-G493 WeakPolarHBondContact CD1-O 3.25Å; Y489-H494 CarbonylContact C-O 3.5Å; Y489-H494 VanDerWaalsContact CA-O 3.27Å; Y489-H494 WeakPolarHBondContact CA-O 3.08Å
490	N	89.1	Confident	91.6	Very high	41 Å²	41	36.9 Å²	36.9	22%	0.219	19%	0.191	C	C	.	.			trans	-75	175.5	169.7	74.5	-2.4	0	0	0	110.9	Y476 S492 G493 H494 M496	Y476-N490 WeakPolarHBondContact CD2-O 3.03Å; N490-S492 VanDerWaalsContact CG-OG 3.3Å; N490-S492 PolarHBondContact ND2-OG 3.43Å; N490-S492 PolarHBondContact O-N 3.22Å; N490-S492 VanDerWaalsContact O-N 3.13Å; N490-S492 WeakPolarHBondContact OD1-CA 3.18Å; N490-S492 PolarHBondContact OD1-N 3.35Å; N490-S492 VanDerWaalsContact OD1-N 3.08Å; N490-S492 PolarHBondContact OD1-OG 2.76Å; N490-G493 PolarHBondContact O-N 3.33Å; N490-G493 PolarHBondContact OD1-N 3.27Å; N490-H494 PolarHBondContact N-O 2.76Å; N490-H494 PolarHBondContact OD1-N 3.03Å; N490-H494 PolarHBondContact OD1-O 2.77Å; N490-M496 HydrophobicContact CB-CG 4.13Å; N490-M496 HydrophobicContact CB-SD 3.73Å
491	T	90.6	Very high	91.1	Very high	53 Å²	53	39.2 Å²	39.2	33%	0.325	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.1	179.4	53.2	0	0	0	0	114.5	G474 Y476	G474-T491 WeakPolarHBondContact O-CG2 3.13Å; Y476-T491 HydrophobicContact CE1-CG2 4.35Å; Y476-T491 WeakPolarHBondContact CE2-O 3.31Å; Y476-T491 PolarHBondContact OH-O 2.95Å
492	S	89.3	Confident	90.5	Very high	59 Å²	59	43.2 Å²	43.2	41%	0.413	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.1	175.6	76.3	0	0	0	0	113.8	N490 H494	N490-S492 VanDerWaalsContact CG-OG 3.3Å; N490-S492 PolarHBondContact ND2-OG 3.43Å; N490-S492 PolarHBondContact O-N 3.22Å; N490-S492 VanDerWaalsContact O-N 3.13Å; N490-S492 WeakPolarHBondContact OD1-CA 3.18Å; N490-S492 PolarHBondContact OD1-N 3.35Å; N490-S492 VanDerWaalsContact OD1-N 3.08Å; N490-S492 PolarHBondContact OD1-OG 2.76Å; S492-H494 PolarHBondContact OG-CD2 3.36Å
493	G	88.6	Confident	90.3	Very high	10 Å²	10	44 Å²	44	10%	0.103	22%	0.216	C	C	.	.	S	Bend	trans	83.7	10.4	179.9	0	0	0	0	0	115.6	Y489 N490	Y489-G493 WeakPolarHBondContact CD1-O 3.25Å; N490-G493 PolarHBondContact O-N 3.33Å; N490-G493 PolarHBondContact OD1-N 3.27Å
494	H	87.6	Confident	90.4	Very high	129 Å²	129	43.2 Å²	43.2	60%	0.597	21%	0.212	S	C	*	.			trans	-79.7	137.2	170	-66	-54	0	0	0	111.3	Y489 N490 S492	Y489-H494 CarbonylContact C-O 3.5Å; Y489-H494 VanDerWaalsContact CA-O 3.27Å; Y489-H494 WeakPolarHBondContact CA-O 3.08Å; N490-H494 PolarHBondContact N-O 2.76Å; N490-H494 PolarHBondContact OD1-N 3.03Å; N490-H494 PolarHBondContact OD1-O 2.77Å; S492-H494 PolarHBondContact OG-CD2 3.36Å
495	Y	90.3	Very high	90.3	Very high	80 Å²	80	42.3 Å²	42.3	31%	0.314	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.8	176.2	169.5	-98.9	0	0	0	111.5	P459 G460 T487 S497 R498	P459-Y495 HydrophobicContact CB-CD1 4.31Å; P459-Y495 HydrophobicContact CB-CE1 3.64Å; P459-Y495 HydrophobicContact CB-CE2 4.44Å; G460-Y495 VanDerWaalsContact CA-CB 3.47Å; G460-Y495 VanDerWaalsContact N-CD2 3.28Å; T487-Y495 HydrophobicContact CG2-CD2 3.51Å; T487-Y495 HydrophobicContact CG2-CE2 3.65Å; Y495-S497 VanDerWaalsContact CE2-C 3.42Å; Y495-S497 VanDerWaalsContact CE2-O 3.26Å; Y495-S497 WeakPolarHBondContact CE2-O 3.33Å; Y495-S497 WeakPolarHBondContact OH-CA 3.31Å; Y495-R498 HydrophobicContact CE2-CB 4.32Å; Y495-R498 HydrophobicContact CE2-CG 4.33Å; Y495-R498 PolarHBondContact OH-N 3.39Å
496	M	86.2	Confident	90.3	Very high	89 Å²	89	42.2 Å²	42.2	44%	0.438	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-53.1	176.1	-62.2	-179.7	68.2	0	0	111.5	N475 V488 N490	N475-M496 HydrophobicContact CB-SD 4.3Å; N475-M496 VanDerWaalsContact CG-SD 3.55Å; V488-M496 HydrophobicContact CB-CB 4.48Å; V488-M496 HydrophobicContact CG1-CB 4.46Å; V488-M496 HydrophobicContact CG1-SD 4.38Å; V488-M496 WeakPolarHBondContact O-CB 3.18Å; V488-M496 PolarHBondContact O-N 3.11Å; N490-M496 HydrophobicContact CB-CG 4.13Å; N490-M496 HydrophobicContact CB-SD 3.73Å
497	S	89.7	Confident	90.4	Very high	41 Å²	41	42.2 Å²	42.2	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	173	-175.6	64.8	0	0	0	0	110.9	V488 Y495	V488-S497 WeakPolarHBondContact CG2-OG 3.36Å; V488-S497 PolarHBondContact N-O 2.81Å; V488-S497 PolarHBondContact O-N 2.91Å; Y495-S497 VanDerWaalsContact CE2-C 3.42Å; Y495-S497 VanDerWaalsContact CE2-O 3.26Å; Y495-S497 WeakPolarHBondContact CE2-O 3.33Å; Y495-S497 WeakPolarHBondContact OH-CA 3.31Å
498	R	91.9	Very high	90.5	Very high	34 Å²	34	44.4 Å²	44.4	13%	0.128	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.4	167.5	55.1	170.9	63.5	153	-0.8	110.1	Y457 H458 Q461 V486 T487 Y495 Q501	Y457-R498 PolarHBondContact O-NH1 2.81Å; H458-R498 PolarHBondContact O-NH2 3.38Å; Q461-R498 PolarHBondContact O-NH2 3.33Å; V486-R498 CarbonylContact O-C 3.53Å; V486-R498 WeakPolarHBondContact O-CA 3.28Å; V486-R498 WeakPolarHBondContact O-CB 3.5Å; T487-R498 HydrophobicContact CG2-CB 4.4Å; Y495-R498 HydrophobicContact CE2-CB 4.32Å; Y495-R498 HydrophobicContact CE2-CG 4.33Å; Y495-R498 PolarHBondContact OH-N 3.39Å; R498-Q501 VanDerWaalsContact CG-NE2 3.3Å
499	F	91.9	Very high	90.6	Very high	20 Å²	20	43.7 Å²	43.7	9%	0.088	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	170.3	-178.9	65.4	-89.4	0	0	0	111.5	L477 C485 V486 V488 Q501 I518 F531 G535	L477-F499 HydrophobicContact CD2-CE1 4.2Å; C485-F499 WeakPolarHBondContact CA-O 3.1Å; C485-F499 VanDerWaalsContact CB-O 3.29Å; C485-F499 WeakPolarHBondContact CB-O 3.32Å; V486-F499 HydrophobicContact CB-CD1 4.44Å; V486-F499 HydrophobicContact CB-CD2 4.43Å; V486-F499 HydrophobicContact CB-CE1 3.92Å; V486-F499 HydrophobicContact CB-CE2 3.9Å; V486-F499 HydrophobicContact CB-CZ 3.61Å; V486-F499 HydrophobicContact CG1-CE1 3.76Å; V486-F499 HydrophobicContact CG1-CE2 4.35Å; V486-F499 HydrophobicContact CG1-CZ 3.57Å; V486-F499 HydrophobicContact CG2-CE2 4.29Å; V486-F499 HydrophobicContact CG2-CZ 4.29Å; V486-F499 PolarHBondContact N-O 2.81Å; V486-F499 PolarHBondContact O-N 2.82Å; V488-F499 HydrophobicContact CG2-CD1 4.01Å; V488-F499 HydrophobicContact CG2-CE1 3.73Å; F499-Q501 VanDerWaalsContact CA-OE1 3.22Å; F499-Q501 PolarHBondContact O-OE1 3.43Å; F499-I518 HydrophobicContact CE1-CD1 4.15Å; F499-I518 HydrophobicContact CE2-CD1 4.42Å; F499-I518 HydrophobicContact CZ-CD1 3.59Å; F499-I518 HydrophobicContact CZ-CG2 4.29Å; F499-F531 HydrophobicContact CD2-CB 4.5Å; F499-F531 AromaticContact CD2-CD1 3.81Å; F499-F531 HydrophobicContact CD2-CD1 3.81Å; F499-F531 HydrophobicContact CD2-CE1 4.14Å; F499-F531 HydrophobicContact CD2-CG 4.04Å; F499-F531 HydrophobicContact CE2-CB 3.99Å; F499-F531 AromaticContact CE2-CD1 3.98Å; F499-F531 HydrophobicContact CE2-CD1 3.98Å; F499-F531 AromaticContact CE2-CD2 3.96Å; F499-F531 HydrophobicContact CE2-CD2 3.96Å; F499-F531 HydrophobicContact CE2-CE1 4.48Å; F499-F531 HydrophobicContact CE2-CE2 4.45Å; F499-F531 AromaticContact CE2-CG 3.71Å; F499-F531 HydrophobicContact CE2-CG 3.71Å; F499-G535 WeakPolarHBondContact CD2-O 3.29Å
500	G	88.9	Confident	90.9	Very high	7 Å²	7	43.9 Å²	43.9	7%	0.072	22%	0.219	C	C	.	.			trans	91.5	-6.8	173.7	0	0	0	0	0	115.6	R502 Y503 L504	G500-R502 PolarHBondContact O-N 3.12Å; G500-Y503 PolarHBondContact O-N 2.98Å; G500-L504 WeakPolarHBondContact O-CB 3.47Å; G500-L504 WeakPolarHBondContact O-CG 3.31Å; G500-L504 PolarHBondContact O-N 3.45Å
501	Q	86.3	Confident	91.2	Very high	49 Å²	49	43.2 Å²	43.2	23%	0.229	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31.6	-179.4	-66	83.7	-25.8	0	0	114.7	F192 H484 C485 R498 F499	F192-Q501 HydrophobicContact CE1-CB 3.66Å; F192-Q501 HydrophobicContact CE2-CB 4.32Å; F192-Q501 HydrophobicContact CZ-CB 3.28Å; F192-Q501 HydrophobicContact CZ-CG 3.94Å; H484-Q501 VanDerWaalsContact O-CA 3.22Å; H484-Q501 WeakPolarHBondContact O-CA 2.84Å; C485-Q501 HydrophobicContact CB-CG 3.73Å; R498-Q501 VanDerWaalsContact CG-NE2 3.3Å; F499-Q501 VanDerWaalsContact CA-OE1 3.22Å; F499-Q501 PolarHBondContact O-OE1 3.43Å
502	R	81.4	Confident	91.4	Very high	122 Å²	122	42.1 Å²	42.1	46%	0.46	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.7	179.1	-62.1	-172.6	-172.6	156.3	6.7	114	D187 M189 S190 F192 G500	D187-R502 IonicContact OD1-CZ 2.83Å; D187-R502 IonicContact OD1-NH1 3.35Å; D187-R502 PolarHBondContact OD1-NH1 2.84Å; D187-R502 IonicContact OD1-NH2 3.57Å; D187-R502 PolarHBondContact OD1-NH2 2.99Å; D187-R502 IonicContact OD2-CZ 3.39Å; D187-R502 IonicContact OD2-NH1 3.55Å; D187-R502 PolarHBondContact OD2-NH1 2.77Å; D187-R502 IonicContact OD2-NH2 2.81Å; M189-R502 PolarHBondContact O-NH2 2.83Å; S190-R502 VanDerWaalsContact CB-NE 3.33Å; F192-R502 HydrophobicContact CE1-CG 4.41Å; G500-R502 PolarHBondContact O-N 3.12Å
503	Y	88.2	Confident	91.7	Very high	82 Å²	82	39.7 Å²	39.7	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-15.7	-170.1	-58.8	-77.8	0	0	0	113.1	G500 M527 C529 F531 F537	G500-Y503 PolarHBondContact O-N 2.98Å; Y503-M527 WeakPolarHBondContact O-CE 3.46Å; Y503-C529 PolarHBondContact O-SG 2.77Å; Y503-F531 HydrophobicContact CD2-CE1 4.02Å; Y503-F531 HydrophobicContact CG-CE1 4.41Å; Y503-F537 HydrophobicContact CD1-CB 4.13Å; Y503-F537 AromaticContact CD1-CD1 3.92Å; Y503-F537 HydrophobicContact CD1-CD1 3.92Å; Y503-F537 AromaticContact CD1-CD2 3.6Å; Y503-F537 HydrophobicContact CD1-CD2 3.6Å; Y503-F537 HydrophobicContact CD1-CE1 4.19Å; Y503-F537 AromaticContact CD1-CE2 3.9Å; Y503-F537 HydrophobicContact CD1-CE2 3.9Å; Y503-F537 AromaticContact CD1-CG 3.61Å; Y503-F537 HydrophobicContact CD1-CG 3.61Å; Y503-F537 HydrophobicContact CD1-CZ 4.18Å; Y503-F537 HydrophobicContact CD2-CB 3.75Å; Y503-F537 HydrophobicContact CD2-CD2 4.15Å; Y503-F537 HydrophobicContact CD2-CG 4.08Å; Y503-F537 HydrophobicContact CE1-CB 3.85Å; Y503-F537 AromaticContact CE1-CD1 3.54Å; Y503-F537 HydrophobicContact CE1-CD1 3.54Å; Y503-F537 HydrophobicContact CE1-CD2 4.05Å; Y503-F537 HydrophobicContact CE1-CE1 4.05Å; Y503-F537 HydrophobicContact CE1-CE2 4.5Å; Y503-F537 AromaticContact CE1-CG 3.53Å; Y503-F537 HydrophobicContact CE1-CG 3.53Å; Y503-F537 HydrophobicContact CE1-CZ 4.5Å; Y503-F537 HydrophobicContact CE2-CB 3.44Å; Y503-F537 VanDerWaalsContact CE2-CB 3.44Å; Y503-F537 HydrophobicContact CE2-CG 4.02Å; Y503-F537 HydrophobicContact CG-CB 4.08Å; Y503-F537 AromaticContact CG-CD2 3.65Å; Y503-F537 HydrophobicContact CG-CD2 3.65Å; Y503-F537 HydrophobicContact CG-CE2 4.22Å; Y503-F537 AromaticContact CG-CG 3.88Å; Y503-F537 HydrophobicContact CG-CG 3.88Å; Y503-F537 VanDerWaalsContact CZ-CB 3.48Å; Y503-F537 AromaticContact CZ-CD1 3.97Å; Y503-F537 AromaticContact CZ-CG 3.74Å
504	L	93.9	Very high	91.8	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.216	C	C	.	.			trans	-114.5	135.7	-177.3	-59	169.7	0	0	0	108.6	H484 V486 G500 P507 V520 D522 C529 F531	H484-L504 WeakPolarHBondContact CB-O 3.48Å; H484-L504 WeakPolarHBondContact O-CB 3.31Å; V486-L504 HydrophobicContact CG2-CD1 3.99Å; G500-L504 WeakPolarHBondContact O-CB 3.47Å; G500-L504 WeakPolarHBondContact O-CG 3.31Å; G500-L504 PolarHBondContact O-N 3.45Å; L504-P507 HydrophobicContact CB-CB 4.23Å; L504-P507 HydrophobicContact CB-CG 4.22Å; L504-P507 HydrophobicContact CD1-CB 4Å; L504-P507 HydrophobicContact CD1-CG 4.36Å; L504-P507 HydrophobicContact CD2-CB 4.32Å; L504-P507 HydrophobicContact CG-CB 4.41Å; L504-V520 HydrophobicContact CD1-CG1 4.15Å; L504-V520 HydrophobicContact CD2-CB 4.05Å; L504-V520 HydrophobicContact CD2-CG1 3.78Å; L504-D522 VanDerWaalsContact CA-OD2 3.25Å; L504-D522 WeakPolarHBondContact CA-OD2 3.46Å; L504-D522 HydrophobicContact CD2-CB 4.33Å; L504-C529 HydrophobicContact CD2-CB 3.86Å; L504-F531 HydrophobicContact CD1-CE2 4.23Å; L504-F531 HydrophobicContact CD1-CZ 4.09Å; L504-F531 HydrophobicContact CD2-CE2 4.18Å; L504-F531 HydrophobicContact CD2-CZ 4.21Å; L504-F531 HydrophobicContact CG-CE2 4.38Å; L504-F531 HydrophobicContact CG-CZ 4.03Å
505	S	93.4	Very high	92	Very high	49 Å²	49	44.7 Å²	44.7	34%	0.343	22%	0.215	S	C	.	.	S	Bend	trans	-116.2	-29.4	178.9	-52.8	0	0	0	0	111.7	H484 D522 K524 S525	H484-S505 PolarHBondContact CE1-O 2.89Å; H484-S505 VanDerWaalsContact CE1-O 3.28Å; H484-S505 PolarHBondContact ND1-O 2.99Å; S505-D522 PolarHBondContact N-OD2 3.42Å; S505-K524 VanDerWaalsContact O-CD 3.28Å; S505-K524 WeakPolarHBondContact O-CD 3.49Å; S505-K524 WeakPolarHBondContact O-CE 3.3Å; S505-K524 PolarHBondContact O-NZ 2.87Å; S505-S525 PolarHBondContact OG-OG 2.85Å; S505-S525 VanDerWaalsContact OG-OG 3.05Å
506	G	95.1	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-155.2	70.9	172.3	0	0	0	0	0	110.6	K508 D522 Q523	G506-K508 PolarHBondContact O-N 3.35Å; G506-D522 PolarHBondContact N-OD1 3.11Å; G506-Q523 PolarHBondContact O-N 2.93Å
507	P	97.3	Very high	92.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.5	-178.9	29.7	-34.9	0	0	0	110.3	D480 L504 V520 V521	D480-P507 WeakPolarHBondContact O-CG 3.38Å; L504-P507 HydrophobicContact CB-CB 4.23Å; L504-P507 HydrophobicContact CB-CG 4.22Å; L504-P507 HydrophobicContact CD1-CB 4Å; L504-P507 HydrophobicContact CD1-CG 4.36Å; L504-P507 HydrophobicContact CD2-CB 4.32Å; L504-P507 HydrophobicContact CG-CB 4.41Å; P507-V520 HydrophobicContact CB-CG1 3.66Å; P507-V521 CarbonylContact C-O 3.58Å; P507-V521 WeakPolarHBondContact CA-O 3.49Å
508	K	96	Very high	92.8	Very high	45 Å²	45	36.8 Å²	36.8	20%	0.196	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-103.3	-176.6	-154.1	173.4	-175.4	177.1	0	110.4	V466 D467 S479 G506 V521 Q523 I555	V466-K508 HydrophobicContact CB-CG 4.47Å; V466-K508 HydrophobicContact CG1-CG 3.56Å; D467-K508 WeakPolarHBondContact CB-O 3.47Å; S479-K508 WeakPolarHBondContact CB-O 3.44Å; S479-K508 PolarHBondContact OG-O 2.93Å; G506-K508 PolarHBondContact O-N 3.35Å; K508-V521 PolarHBondContact N-O 2.99Å; K508-Q523 HydrophobicContact CB-CB 4.45Å; K508-I555 WeakPolarHBondContact CB-O 3.28Å; K508-I555 HydrophobicContact CD-CB 4.43Å; K508-I555 HydrophobicContact CD-CD1 3.93Å; K508-I555 HydrophobicContact CD-CG2 3.93Å
509	G	95.8	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	146.3	175.1	0	0	0	0	0	112.8	D467 V521 I555	D467-G509 VanDerWaalsContact OD2-CA 3.3Å; D467-G509 WeakPolarHBondContact OD2-CA 3.41Å; G509-V521 PolarHBondContact O-N 3.14Å; G509-I555 PolarHBondContact N-O 2.9Å
510	M	96.7	Very high	93.4	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.03	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.2	179.4	175.9	173.2	51.9	0	0	111.4	D467 A469 L477 V486 I518 L519 V520	D467-M510 PolarHBondContact OD2-N 2.93Å; A469-M510 HydrophobicContact CB-CE 4.17Å; A469-M510 HydrophobicContact CB-CG 4.33Å; L477-M510 HydrophobicContact CB-CE 3.32Å; L477-M510 HydrophobicContact CB-SD 3.8Å; L477-M510 HydrophobicContact CD1-CE 4.46Å; L477-M510 HydrophobicContact CD1-SD 3.95Å; L477-M510 HydrophobicContact CG-SD 4.5Å; V486-M510 HydrophobicContact CB-SD 4.26Å; V486-M510 HydrophobicContact CG1-CE 3.93Å; V486-M510 HydrophobicContact CG1-SD 3.47Å; V486-M510 WeakPolarHBondContact CG1-SD 3.24Å; V486-M510 HydrophobicContact CG2-SD 3.71Å; M510-I518 HydrophobicContact CG-CG2 3.93Å; M510-I518 HydrophobicContact SD-CG2 3.8Å; M510-L519 CarbonylContact C-O 3.6Å; M510-L519 VanDerWaalsContact CA-O 3.31Å; M510-L519 WeakPolarHBondContact CA-O 3.22Å; M510-V520 HydrophobicContact CG-CG2 4.02Å; M510-V520 HydrophobicContact SD-CG2 4.08Å
511	V	96.4	Very high	93.8	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.17	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.9	176.5	71.4	0	0	0	0	111.1	L519 I557 V559	V511-L519 HydrophobicContact CG1-CB 4.09Å; V511-L519 PolarHBondContact N-O 3.49Å; V511-L519 PolarHBondContact O-N 3.49Å; V511-I557 HydrophobicContact CB-CG2 4.29Å; V511-I557 HydrophobicContact CG1-CB 4.43Å; V511-I557 HydrophobicContact CG1-CD1 4.43Å; V511-I557 HydrophobicContact CG1-CG1 3.91Å; V511-I557 HydrophobicContact CG1-CG2 3.92Å; V511-V559 HydrophobicContact CG1-CG1 4.03Å; V511-V559 HydrophobicContact CG1-CG2 4.45Å; V511-V559 HydrophobicContact CG2-CG2 3.91Å
512	V	95.6	Very high	94.2	Very high	29 Å²	29	31.5 Å²	31.5	18%	0.176	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.5	173.3	-175.2	0	0	0	0	108.4	A469 E470 L477 R517 I518	A469-V512 HydrophobicContact CB-CG2 4.43Å; E470-V512 WeakPolarHBondContact O-CG2 3.37Å; L477-V512 HydrophobicContact CD1-CG2 3.66Å; V512-R517 WeakPolarHBondContact CA-O 3.26Å; V512-I518 HydrophobicContact CG2-CG1 4.23Å
513	D	94.2	Very high	94.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.043	14%	0.137	C	C	.	.			trans	-83	175.5	179.8	78.1	0.3	0	0	0	113.2	R515 G516 R517 L519 V559	D513-R515 PolarHBondContact O-N 2.76Å; D513-R515 VanDerWaalsContact O-N 3.14Å; D513-R515 VanDerWaalsContact OD1-C 3.31Å; D513-R515 WeakPolarHBondContact OD1-CA 2.96Å; D513-R515 WeakPolarHBondContact OD1-CB 3.17Å; D513-R515 PolarHBondContact OD1-N 3.03Å; D513-G516 PolarHBondContact O-N 3.48Å; D513-G516 PolarHBondContact OD1-N 3.24Å; D513-R517 PolarHBondContact N-O 3.01Å; D513-R517 WeakPolarHBondContact OD1-CB 3.33Å; D513-R517 PolarHBondContact OD1-N 3.26Å; D513-R517 IonicContact OD2-CZ 3.67Å; D513-R517 IonicContact OD2-NE 3.92Å; D513-R517 PolarHBondContact OD2-NE 3.02Å; D513-R517 IonicContact OD2-NH2 2.7Å; D513-R517 PolarHBondContact OD2-NH2 3.25Å; D513-L519 HydrophobicContact CB-CD1 4.02Å; D513-V559 HydrophobicContact CB-CG2 4.41Å
514	S	91.6	Very high	95.2	Very high	87 Å²	87	28.5 Å²	28.5	61%	0.608	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.5	-178.4	82.4	0	0	0	0	113.4	D563	S514-D563 VanDerWaalsContact CB-OD1 3.28Å; S514-D563 WeakPolarHBondContact CB-OD1 3.45Å; S514-D563 PolarHBondContact N-OD1 3.19Å; S514-D563 VanDerWaalsContact OG-CG 3.25Å; S514-D563 PolarHBondContact OG-OD1 3.47Å; S514-D563 VanDerWaalsContact OG-OD1 3.14Å; S514-D563 PolarHBondContact OG-OD2 3.44Å
515	R	91.3	Very high	95.1	Very high	158 Å²	158	30.2 Å²	30.2	60%	0.596	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.1	178.1	-55.3	179.8	-175.2	-170.4	-1.1	112.7	D513 R517 D563	D513-R515 PolarHBondContact O-N 2.76Å; D513-R515 VanDerWaalsContact O-N 3.14Å; D513-R515 VanDerWaalsContact OD1-C 3.31Å; D513-R515 WeakPolarHBondContact OD1-CA 2.96Å; D513-R515 WeakPolarHBondContact OD1-CB 3.17Å; D513-R515 PolarHBondContact OD1-N 3.03Å; R515-R517 VanDerWaalsContact C-N 3.32Å; R515-R517 HydrophobicContact CB-CG 4.48Å; R515-D563 IonicContact NE-OD2 2.67Å
516	G	92.5	Very high	95.2	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	14%	0.14	C	C	.	.			trans	78.2	9.5	-177.9	0	0	0	0	0	114.7	D513 P533	D513-G516 PolarHBondContact O-N 3.48Å; D513-G516 PolarHBondContact OD1-N 3.24Å; G516-P533 WeakPolarHBondContact O-CA 3.48Å; G516-P533 WeakPolarHBondContact O-CB 3.19Å; G516-P533 WeakPolarHBondContact O-CD 3.28Å; G516-P533 WeakPolarHBondContact O-CG 3.27Å
517	R	94.5	Very high	95.2	Very high	39 Å²	39	29 Å²	29	15%	0.147	14%	0.144	C	C	.	.			trans	-70.3	141.5	170.6	-56.6	-178.3	-62	164.7	13.2	108.7	V512 D513 R515 L519 I530 F531 I538 V580	V512-R517 WeakPolarHBondContact CA-O 3.26Å; D513-R517 PolarHBondContact N-O 3.01Å; D513-R517 WeakPolarHBondContact OD1-CB 3.33Å; D513-R517 PolarHBondContact OD1-N 3.26Å; D513-R517 IonicContact OD2-CZ 3.67Å; D513-R517 IonicContact OD2-NE 3.92Å; D513-R517 PolarHBondContact OD2-NE 3.02Å; D513-R517 IonicContact OD2-NH2 2.7Å; D513-R517 PolarHBondContact OD2-NH2 3.25Å; R515-R517 VanDerWaalsContact C-N 3.32Å; R515-R517 HydrophobicContact CB-CG 4.48Å; R517-L519 HydrophobicContact CB-CD1 4.25Å; R517-I530 HydrophobicContact CB-CG2 4.09Å; R517-F531 CarbonylContact C-O 3.48Å; R517-F531 VanDerWaalsContact CA-O 3.28Å; R517-F531 WeakPolarHBondContact CA-O 3.36Å; R517-I538 HydrophobicContact CG-CD1 4.16Å; R517-V580 PolarHBondContact NH1-O 2.98Å; R517-V580 PolarHBondContact NH2-O 3.06Å
518	I	96.3	Very high	95.2	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.8	179.4	-52.4	169.2	0	0	0	106.9	L477 F499 M510 V512 V520 I530 F531	L477-I518 HydrophobicContact CD1-CB 4.48Å; L477-I518 HydrophobicContact CD1-CD1 3.75Å; L477-I518 HydrophobicContact CD1-CG1 3.94Å; L477-I518 HydrophobicContact CD1-CG2 3.75Å; L477-I518 HydrophobicContact CD2-CD1 4.24Å; F499-I518 HydrophobicContact CE1-CD1 4.15Å; F499-I518 HydrophobicContact CE2-CD1 4.42Å; F499-I518 HydrophobicContact CZ-CD1 3.59Å; F499-I518 HydrophobicContact CZ-CG2 4.29Å; M510-I518 HydrophobicContact CG-CG2 3.93Å; M510-I518 HydrophobicContact SD-CG2 3.8Å; V512-I518 HydrophobicContact CG2-CG1 4.23Å; I518-V520 HydrophobicContact CG2-CG2 4.08Å; I518-I530 CarbonylContact O-C 3.59Å; I518-I530 WeakPolarHBondContact O-CA 3.38Å; I518-F531 HydrophobicContact CB-CB 4.26Å; I518-F531 PolarHBondContact N-O 2.89Å; I518-F531 PolarHBondContact O-N 3.34Å
519	L	97.4	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.1	178.4	-64.4	82.9	0	0	0	108.5	M510 V511 D513 R517 I528 C529 I530 I557 I565	M510-L519 CarbonylContact C-O 3.6Å; M510-L519 VanDerWaalsContact CA-O 3.31Å; M510-L519 WeakPolarHBondContact CA-O 3.22Å; V511-L519 HydrophobicContact CG1-CB 4.09Å; V511-L519 PolarHBondContact N-O 3.49Å; V511-L519 PolarHBondContact O-N 3.49Å; D513-L519 HydrophobicContact CB-CD1 4.02Å; R517-L519 HydrophobicContact CB-CD1 4.25Å; L519-I528 HydrophobicContact CB-CG2 4.42Å; L519-C529 WeakPolarHBondContact CA-O 3.38Å; L519-I530 HydrophobicContact CG-CG1 4.34Å; L519-I530 HydrophobicContact CG-CG2 4.4Å; L519-I557 HydrophobicContact CB-CD1 3.7Å; L519-I557 HydrophobicContact CD2-CD1 4.07Å; L519-I565 HydrophobicContact CD2-CD1 3.41Å; L519-I565 VanDerWaalsContact CD2-CD1 3.41Å; L519-I565 HydrophobicContact CD2-CG1 3.71Å; L519-I565 HydrophobicContact CD2-CG2 4.1Å
520	V	97.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.7	-175.6	-173.1	0	0	0	0	108.8	V486 L504 P507 M510 I518 I528 C529 F531	V486-V520 HydrophobicContact CG2-CG1 4.37Å; V486-V520 HydrophobicContact CG2-CG2 3.87Å; L504-V520 HydrophobicContact CD1-CG1 4.15Å; L504-V520 HydrophobicContact CD2-CB 4.05Å; L504-V520 HydrophobicContact CD2-CG1 3.78Å; P507-V520 HydrophobicContact CB-CG1 3.66Å; M510-V520 HydrophobicContact CG-CG2 4.02Å; M510-V520 HydrophobicContact SD-CG2 4.08Å; I518-V520 HydrophobicContact CG2-CG2 4.08Å; V520-I528 WeakPolarHBondContact O-CA 3.48Å; V520-C529 PolarHBondContact N-O 3.06Å; V520-C529 PolarHBondContact O-N 2.99Å; V520-F531 HydrophobicContact CB-CE2 4.26Å; V520-F531 HydrophobicContact CG2-CD2 4.01Å; V520-F531 HydrophobicContact CG2-CE2 3.9Å
521	V	97.5	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.6	170.1	176.2	0	0	0	0	108.8	P507 K508 G509 I528 P554 I557 V567	P507-V521 CarbonylContact C-O 3.58Å; P507-V521 WeakPolarHBondContact CA-O 3.49Å; K508-V521 PolarHBondContact N-O 2.99Å; G509-V521 PolarHBondContact O-N 3.14Å; V521-I528 HydrophobicContact CG2-CG1 4.36Å; V521-P554 HydrophobicContact CG1-CB 3.62Å; V521-P554 HydrophobicContact CG1-CG 3.87Å; V521-P554 VanDerWaalsContact CG1-O 3.3Å; V521-P554 WeakPolarHBondContact CG1-O 3.33Å; V521-I557 HydrophobicContact CG2-CB 3.5Å; V521-I557 VanDerWaalsContact CG2-CB 3.5Å; V521-I557 HydrophobicContact CG2-CD1 4.34Å; V521-I557 HydrophobicContact CG2-CG1 4.5Å; V521-I557 HydrophobicContact CG2-CG2 3.7Å; V521-V567 HydrophobicContact CG2-CG1 4.41Å
522	D	96.3	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	105.3	167.4	-169.2	-24.3	0	0	0	109.5	L504 S505 G506 K524 S525 C526 M527	L504-D522 VanDerWaalsContact CA-OD2 3.25Å; L504-D522 WeakPolarHBondContact CA-OD2 3.46Å; L504-D522 HydrophobicContact CD2-CB 4.33Å; S505-D522 PolarHBondContact N-OD2 3.42Å; G506-D522 PolarHBondContact N-OD1 3.11Å; D522-K524 PolarHBondContact OD1-N 3.37Å; D522-K524 VanDerWaalsContact OD1-N 3.11Å; D522-S525 PolarHBondContact OD1-N 3Å; D522-S525 PolarHBondContact OD2-OG 3.03Å; D522-C526 WeakPolarHBondContact O-CA 3.32Å; D522-C526 PolarHBondContact O-N 3.4Å; D522-M527 HydrophobicContact CB-CE 4.37Å; D522-M527 HydrophobicContact CB-CG 4.02Å; D522-M527 PolarHBondContact N-O 2.8Å; D522-M527 PolarHBondContact O-N 3.2Å; D522-M527 VanDerWaalsContact O-N 3.16Å
523	Q	95.5	Very high	94.3	Very high	39 Å²	39	32 Å²	32	18%	0.182	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-46.1	-178.8	-170.8	-160.4	-20.2	0	0	111.2	Y481 G506 K508 C526 N553 I555	Y481-Q523 HydrophobicContact CE2-CB 4.43Å; G506-Q523 PolarHBondContact O-N 2.93Å; K508-Q523 HydrophobicContact CB-CB 4.45Å; Q523-C526 PolarHBondContact O-N 3.11Å; Q523-N553 WeakPolarHBondContact CG-OD1 3.4Å; Q523-N553 PolarHBondContact NE2-OD1 2.92Å; Q523-I555 HydrophobicContact CG-CD1 4.13Å
524	K	93.7	Very high	93.9	Very high	102 Å²	102	37.3 Å²	37.3	44%	0.443	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-41	-175.3	-73.4	-168.3	-160.8	155.4	0	111.1	Y481 H484 S505 D522 C526	Y481-K524 WeakPolarHBondContact OH-CE 2.93Å; H484-K524 PolarHBondContact CE1-NZ 3.08Å; S505-K524 VanDerWaalsContact O-CD 3.28Å; S505-K524 WeakPolarHBondContact O-CD 3.49Å; S505-K524 WeakPolarHBondContact O-CE 3.3Å; S505-K524 PolarHBondContact O-NZ 2.87Å; D522-K524 PolarHBondContact OD1-N 3.37Å; D522-K524 VanDerWaalsContact OD1-N 3.11Å; K524-C526 VanDerWaalsContact C-N 3.3Å
525	S	92.8	Very high	93.7	Very high	41 Å²	41	33.7 Å²	33.7	29%	0.287	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.1	177.6	-59.6	0	0	0	0	113.9	S505 D522 M527	S505-S525 PolarHBondContact OG-OG 2.85Å; S505-S525 VanDerWaalsContact OG-OG 3.05Å; D522-S525 PolarHBondContact OD1-N 3Å; D522-S525 PolarHBondContact OD2-OG 3.03Å; S525-M527 VanDerWaalsContact C-N 3.27Å; S525-M527 VanDerWaalsContact CB-CE 3.42Å; S525-M527 PolarHBondContact O-N 2.8Å
526	C	94.8	Very high	93.3	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.027	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	42.2	-178.8	-63.3	0	0	0	0	112.7	D522 Q523 K524 A543 R544 F551	D522-C526 WeakPolarHBondContact O-CA 3.32Å; D522-C526 PolarHBondContact O-N 3.4Å; Q523-C526 PolarHBondContact O-N 3.11Å; K524-C526 VanDerWaalsContact C-N 3.3Å; C526-A543 CarbonylContact O-C 3.34Å; C526-A543 PolarHBondContact O-N 3.13Å; C526-R544 HydrophobicContact CB-CB 3.9Å; C526-F551 HydrophobicContact CB-CB 4.32Å; C526-F551 WeakPolarHBondContact O-CD2 3.4Å
527	M	95.4	Very high	93.3	Very high	18 Å²	18	34.9 Å²	34.9	9%	0.089	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166	-174.1	67.1	-178.1	-179.2	0	0	111.7	Y503 D522 S525 C529 F541	Y503-M527 WeakPolarHBondContact O-CE 3.46Å; D522-M527 HydrophobicContact CB-CE 4.37Å; D522-M527 HydrophobicContact CB-CG 4.02Å; D522-M527 PolarHBondContact N-O 2.8Å; D522-M527 PolarHBondContact O-N 3.2Å; D522-M527 VanDerWaalsContact O-N 3.16Å; S525-M527 VanDerWaalsContact C-N 3.27Å; S525-M527 VanDerWaalsContact CB-CE 3.42Å; S525-M527 PolarHBondContact O-N 2.8Å; M527-C529 VanDerWaalsContact CE-SG 3.59Å; M527-F541 WeakPolarHBondContact CA-O 3.35Å
528	I	96.9	Very high	93	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.8	171.9	-64	83.7	0	0	0	107.7	L519 V520 V521 R540 F541 F551 I557 V567	L519-I528 HydrophobicContact CB-CG2 4.42Å; V520-I528 WeakPolarHBondContact O-CA 3.48Å; V521-I528 HydrophobicContact CG2-CG1 4.36Å; I528-R540 CarbonylContact O-C 3.57Å; I528-R540 WeakPolarHBondContact O-CA 3.48Å; I528-R540 WeakPolarHBondContact O-CB 3.39Å; I528-F541 HydrophobicContact CB-CD1 4.31Å; I528-F541 HydrophobicContact CB-CE1 3.84Å; I528-F541 HydrophobicContact CB-CE2 4.17Å; I528-F541 HydrophobicContact CB-CZ 3.77Å; I528-F541 HydrophobicContact CD1-CD2 4.36Å; I528-F541 HydrophobicContact CD1-CE2 3.86Å; I528-F541 HydrophobicContact CD1-CZ 4.22Å; I528-F541 HydrophobicContact CG1-CE2 4.26Å; I528-F541 HydrophobicContact CG1-CZ 4.1Å; I528-F541 HydrophobicContact CG2-CE1 3.79Å; I528-F541 HydrophobicContact CG2-CZ 3.9Å; I528-F541 PolarHBondContact N-O 3.37Å; I528-F541 PolarHBondContact O-N 3.37Å; I528-F551 HydrophobicContact CD1-CD2 4Å; I528-F551 HydrophobicContact CD1-CE1 4.2Å; I528-F551 HydrophobicContact CD1-CE2 3.11Å; I528-F551 HydrophobicContact CD1-CZ 3.23Å; I528-I557 HydrophobicContact CG1-CD1 4.23Å; I528-I557 HydrophobicContact CG2-CD1 3.73Å; I528-V567 HydrophobicContact CD1-CG1 4.33Å; I528-V567 HydrophobicContact CD1-CG2 4.03Å; I528-V567 HydrophobicContact CG1-CG2 4.1Å
529	C	96.3	Very high	92.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.3	175.2	-72.3	0	0	0	0	110	Y503 L504 L519 V520 M527 F531 F537	Y503-C529 PolarHBondContact O-SG 2.77Å; L504-C529 HydrophobicContact CD2-CB 3.86Å; L519-C529 WeakPolarHBondContact CA-O 3.38Å; V520-C529 PolarHBondContact N-O 3.06Å; V520-C529 PolarHBondContact O-N 2.99Å; M527-C529 VanDerWaalsContact CE-SG 3.59Å; C529-F531 HydrophobicContact CB-CD2 4.45Å; C529-F531 HydrophobicContact CB-CE2 3.55Å; C529-F531 HydrophobicContact CB-CZ 3.89Å; C529-F537 HydrophobicContact CB-CE2 4.2Å
530	I	95.4	Very high	92.6	Very high	4 Å²	4	47 Å²	47	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	179.9	-49	178.1	0	0	0	108.7	R517 I518 L519 I538 N539 F541	R517-I530 HydrophobicContact CB-CG2 4.09Å; I518-I530 CarbonylContact O-C 3.59Å; I518-I530 WeakPolarHBondContact O-CA 3.38Å; L519-I530 HydrophobicContact CG-CG1 4.34Å; L519-I530 HydrophobicContact CG-CG2 4.4Å; I530-I538 HydrophobicContact CG2-CB 4.42Å; I530-I538 HydrophobicContact CG2-CD1 4.14Å; I530-I538 WeakPolarHBondContact O-CB 3.46Å; I530-I538 PolarHBondContact O-N 2.76Å; I530-N539 WeakPolarHBondContact CB-O 3.49Å; I530-N539 PolarHBondContact N-O 3.14Å; I530-N539 PolarHBondContact O-N 3.1Å; I530-F541 HydrophobicContact CD1-CD1 4.16Å; I530-F541 HydrophobicContact CD1-CE1 3.96Å; I530-F541 HydrophobicContact CG1-CE1 4.29Å
531	F	94.9	Very high	92.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154.1	178.2	-56.4	-93.6	0	0	0	111	F499 Y503 L504 R517 I518 V520 C529 G535 K536 F537	F499-F531 HydrophobicContact CD2-CB 4.5Å; F499-F531 AromaticContact CD2-CD1 3.81Å; F499-F531 HydrophobicContact CD2-CD1 3.81Å; F499-F531 HydrophobicContact CD2-CE1 4.14Å; F499-F531 HydrophobicContact CD2-CG 4.04Å; F499-F531 HydrophobicContact CE2-CB 3.99Å; F499-F531 AromaticContact CE2-CD1 3.98Å; F499-F531 HydrophobicContact CE2-CD1 3.98Å; F499-F531 AromaticContact CE2-CD2 3.96Å; F499-F531 HydrophobicContact CE2-CD2 3.96Å; F499-F531 HydrophobicContact CE2-CE1 4.48Å; F499-F531 HydrophobicContact CE2-CE2 4.45Å; F499-F531 AromaticContact CE2-CG 3.71Å; F499-F531 HydrophobicContact CE2-CG 3.71Å; Y503-F531 HydrophobicContact CD2-CE1 4.02Å; Y503-F531 HydrophobicContact CG-CE1 4.41Å; L504-F531 HydrophobicContact CD1-CE2 4.23Å; L504-F531 HydrophobicContact CD1-CZ 4.09Å; L504-F531 HydrophobicContact CD2-CE2 4.18Å; L504-F531 HydrophobicContact CD2-CZ 4.21Å; L504-F531 HydrophobicContact CG-CE2 4.38Å; L504-F531 HydrophobicContact CG-CZ 4.03Å; R517-F531 CarbonylContact C-O 3.48Å; R517-F531 VanDerWaalsContact CA-O 3.28Å; R517-F531 WeakPolarHBondContact CA-O 3.36Å; I518-F531 HydrophobicContact CB-CB 4.26Å; I518-F531 PolarHBondContact N-O 2.89Å; I518-F531 PolarHBondContact O-N 3.34Å; V520-F531 HydrophobicContact CB-CE2 4.26Å; V520-F531 HydrophobicContact CG2-CD2 4.01Å; V520-F531 HydrophobicContact CG2-CE2 3.9Å; C529-F531 HydrophobicContact CB-CD2 4.45Å; C529-F531 HydrophobicContact CB-CE2 3.55Å; C529-F531 HydrophobicContact CB-CZ 3.89Å; F531-G535 WeakPolarHBondContact CD1-O 3.39Å; F531-K536 CarbonylContact C-O 3.55Å; F531-K536 VanDerWaalsContact CA-O 3.28Å; F531-K536 WeakPolarHBondContact CA-O 3.31Å; F531-F537 HydrophobicContact CD1-CB 4.06Å; F531-F537 HydrophobicContact CD1-CD2 4.38Å; F531-F537 HydrophobicContact CE1-CB 4Å; F531-F537 AromaticContact CE1-CD2 3.92Å; F531-F537 HydrophobicContact CE1-CD2 3.92Å; F531-F537 HydrophobicContact CE1-CG 4.48Å; F531-F537 HydrophobicContact CZ-CD2 4.21Å
532	K	88.3	Confident	92.1	Very high	99 Å²	99	49.5 Å²	49.5	43%	0.43	25%	0.254	S	S	.	.			trans	-68	161	166.9	-67.7	-167.2	177.5	-169.4	0	109.7	T534 G535 K536 I538	K532-T534 PolarHBondContact O-N 2.83Å; K532-G535 PolarHBondContact O-N 3.33Å; K532-K536 HydrophobicContact CB-CB 4.35Å; K532-K536 HydrophobicContact CD-CB 4.41Å; K532-K536 HydrophobicContact CG-CB 4.46Å; K532-K536 PolarHBondContact N-O 2.83Å; K532-I538 HydrophobicContact CB-CD1 4.36Å; K532-I538 HydrophobicContact CB-CG1 4.45Å; K532-I538 HydrophobicContact CG-CD1 3.52Å; K532-I538 HydrophobicContact CG-CG1 3.48Å; K532-I538 VanDerWaalsContact CG-CG1 3.48Å
533	P	87.2	Confident	91.8	Very high	70 Å²	70	51.5 Å²	51.5	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-22.8	170.8	-7.5	6.1	0	0	0	113.5	G516 G535	G516-P533 WeakPolarHBondContact O-CA 3.48Å; G516-P533 WeakPolarHBondContact O-CB 3.19Å; G516-P533 WeakPolarHBondContact O-CD 3.28Å; G516-P533 WeakPolarHBondContact O-CG 3.27Å; P533-G535 VanDerWaalsContact C-N 3.29Å; P533-G535 PolarHBondContact O-N 3.13Å
534	T	85.3	Confident	91.6	Very high	119 Å²	119	58.3 Å²	58.3	73%	0.73	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-5	175.5	63.8	0	0	0	0	114.4	K532	K532-T534 PolarHBondContact O-N 2.83Å
535	G	87.4	Confident	91.2	Very high	11 Å²	11	54.6 Å²	54.6	11%	0.113	29%	0.285	C	S	.	.	S	Bend	trans	86.7	0.1	-174.4	0	0	0	0	0	115.1	F499 F531 K532 P533	F499-G535 WeakPolarHBondContact CD2-O 3.29Å; F531-G535 WeakPolarHBondContact CD1-O 3.39Å; K532-G535 PolarHBondContact O-N 3.33Å; P533-G535 VanDerWaalsContact C-N 3.29Å; P533-G535 PolarHBondContact O-N 3.13Å
536	K	83.8	Confident	90.9	Very high	140 Å²	140	59.8 Å²	59.8	61%	0.609	31%	0.309	S	S	*	.			trans	-73.7	130.4	176.8	-177.6	171.9	-179.1	168.5	0	111	F531 K532	F531-K536 CarbonylContact C-O 3.55Å; F531-K536 VanDerWaalsContact CA-O 3.28Å; F531-K536 WeakPolarHBondContact CA-O 3.31Å; K532-K536 HydrophobicContact CB-CB 4.35Å; K532-K536 HydrophobicContact CD-CB 4.41Å; K532-K536 HydrophobicContact CG-CB 4.46Å; K532-K536 PolarHBondContact N-O 2.83Å
537	F	90.9	Very high	90.6	Very high	44 Å²	44	61.5 Å²	61.5	19%	0.193	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.9	174.7	-179.5	-99.2	0	0	0	111.7	Y503 C529 F531 N539 R540	Y503-F537 HydrophobicContact CD1-CB 4.13Å; Y503-F537 AromaticContact CD1-CD1 3.92Å; Y503-F537 HydrophobicContact CD1-CD1 3.92Å; Y503-F537 AromaticContact CD1-CD2 3.6Å; Y503-F537 HydrophobicContact CD1-CD2 3.6Å; Y503-F537 HydrophobicContact CD1-CE1 4.19Å; Y503-F537 AromaticContact CD1-CE2 3.9Å; Y503-F537 HydrophobicContact CD1-CE2 3.9Å; Y503-F537 AromaticContact CD1-CG 3.61Å; Y503-F537 HydrophobicContact CD1-CG 3.61Å; Y503-F537 HydrophobicContact CD1-CZ 4.18Å; Y503-F537 HydrophobicContact CD2-CB 3.75Å; Y503-F537 HydrophobicContact CD2-CD2 4.15Å; Y503-F537 HydrophobicContact CD2-CG 4.08Å; Y503-F537 HydrophobicContact CE1-CB 3.85Å; Y503-F537 AromaticContact CE1-CD1 3.54Å; Y503-F537 HydrophobicContact CE1-CD1 3.54Å; Y503-F537 HydrophobicContact CE1-CD2 4.05Å; Y503-F537 HydrophobicContact CE1-CE1 4.05Å; Y503-F537 HydrophobicContact CE1-CE2 4.5Å; Y503-F537 AromaticContact CE1-CG 3.53Å; Y503-F537 HydrophobicContact CE1-CG 3.53Å; Y503-F537 HydrophobicContact CE1-CZ 4.5Å; Y503-F537 HydrophobicContact CE2-CB 3.44Å; Y503-F537 VanDerWaalsContact CE2-CB 3.44Å; Y503-F537 HydrophobicContact CE2-CG 4.02Å; Y503-F537 HydrophobicContact CG-CB 4.08Å; Y503-F537 AromaticContact CG-CD2 3.65Å; Y503-F537 HydrophobicContact CG-CD2 3.65Å; Y503-F537 HydrophobicContact CG-CE2 4.22Å; Y503-F537 AromaticContact CG-CG 3.88Å; Y503-F537 HydrophobicContact CG-CG 3.88Å; Y503-F537 VanDerWaalsContact CZ-CB 3.48Å; Y503-F537 AromaticContact CZ-CD1 3.97Å; Y503-F537 AromaticContact CZ-CG 3.74Å; C529-F537 HydrophobicContact CB-CE2 4.2Å; F531-F537 HydrophobicContact CD1-CB 4.06Å; F531-F537 HydrophobicContact CD1-CD2 4.38Å; F531-F537 HydrophobicContact CE1-CB 4Å; F531-F537 AromaticContact CE1-CD2 3.92Å; F531-F537 HydrophobicContact CE1-CD2 3.92Å; F531-F537 HydrophobicContact CE1-CG 4.48Å; F531-F537 HydrophobicContact CZ-CD2 4.21Å; F537-N539 WeakPolarHBondContact CE2-O 3.37Å; F537-R540 HydrophobicContact CE2-CB 4.04Å; F537-R540 HydrophobicContact CZ-CB 3.83Å; F537-R540 HydrophobicContact CZ-CG 3.94Å
538	I	89.5	Confident	90.1	Very high	74 Å²	74	64.1 Å²	64.1	38%	0.379	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-61.9	177.5	-57.4	178.1	0	0	0	109.6	R517 I530 K532	R517-I538 HydrophobicContact CG-CD1 4.16Å; I530-I538 HydrophobicContact CG2-CB 4.42Å; I530-I538 HydrophobicContact CG2-CD1 4.14Å; I530-I538 WeakPolarHBondContact O-CB 3.46Å; I530-I538 PolarHBondContact O-N 2.76Å; K532-I538 HydrophobicContact CB-CD1 4.36Å; K532-I538 HydrophobicContact CB-CG1 4.45Å; K532-I538 HydrophobicContact CG-CD1 3.52Å; K532-I538 HydrophobicContact CG-CG1 3.48Å; K532-I538 VanDerWaalsContact CG-CG1 3.48Å
539	N	91.6	Very high	89.8	Confident	81 Å²	81	67.9 Å²	67.9	43%	0.433	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	168.2	-173.2	-162.7	9.9	0	0	0	110	I530 F537	I530-N539 WeakPolarHBondContact CB-O 3.49Å; I530-N539 PolarHBondContact N-O 3.14Å; I530-N539 PolarHBondContact O-N 3.1Å; F537-N539 WeakPolarHBondContact CE2-O 3.37Å
540	R	94.4	Very high	89.5	Confident	141 Å²	141	70.6 Å²	70.6	53%	0.532	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.9	171.3	63.9	-173.9	178.2	-166.4	-0.2	110.5	I528 F537	I528-R540 CarbonylContact O-C 3.57Å; I528-R540 WeakPolarHBondContact O-CA 3.48Å; I528-R540 WeakPolarHBondContact O-CB 3.39Å; F537-R540 HydrophobicContact CE2-CB 4.04Å; F537-R540 HydrophobicContact CZ-CB 3.83Å; F537-R540 HydrophobicContact CZ-CG 3.94Å
541	F	93.3	Very high	89.4	Confident	23 Å²	23	70.4 Å²	70.4	10%	0.101	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.2	172.9	66	-87	0	0	0	110.7	M527 I528 I530 I565 F578	M527-F541 WeakPolarHBondContact CA-O 3.35Å; I528-F541 HydrophobicContact CB-CD1 4.31Å; I528-F541 HydrophobicContact CB-CE1 3.84Å; I528-F541 HydrophobicContact CB-CE2 4.17Å; I528-F541 HydrophobicContact CB-CZ 3.77Å; I528-F541 HydrophobicContact CD1-CD2 4.36Å; I528-F541 HydrophobicContact CD1-CE2 3.86Å; I528-F541 HydrophobicContact CD1-CZ 4.22Å; I528-F541 HydrophobicContact CG1-CE2 4.26Å; I528-F541 HydrophobicContact CG1-CZ 4.1Å; I528-F541 HydrophobicContact CG2-CE1 3.79Å; I528-F541 HydrophobicContact CG2-CZ 3.9Å; I528-F541 PolarHBondContact N-O 3.37Å; I528-F541 PolarHBondContact O-N 3.37Å; I530-F541 HydrophobicContact CD1-CD1 4.16Å; I530-F541 HydrophobicContact CD1-CE1 3.96Å; I530-F541 HydrophobicContact CG1-CE1 4.29Å; F541-I565 HydrophobicContact CE1-CD1 4.03Å; F541-I565 HydrophobicContact CZ-CD1 3.85Å; F541-I565 HydrophobicContact CZ-CG2 4.37Å; F541-F578 HydrophobicContact CD2-CD1 4.03Å; F541-F578 HydrophobicContact CD2-CE1 4.18Å; F541-F578 HydrophobicContact CD2-CG 4.43Å; F541-F578 HydrophobicContact CE2-CB 4.16Å; F541-F578 AromaticContact CE2-CD1 3.72Å; F541-F578 HydrophobicContact CE2-CD1 3.72Å; F541-F578 AromaticContact CE2-CD2 3.95Å; F541-F578 HydrophobicContact CE2-CD2 3.95Å; F541-F578 HydrophobicContact CE2-CE1 4.06Å; F541-F578 HydrophobicContact CE2-CE2 4.28Å; F541-F578 AromaticContact CE2-CG 3.67Å; F541-F578 HydrophobicContact CE2-CG 3.67Å; F541-F578 HydrophobicContact CE2-CZ 4.35Å; F541-F578 HydrophobicContact CZ-CB 4.44Å; F541-F578 HydrophobicContact CZ-CG 4.37Å
542	G	90.1	Very high	89.2	Confident	30 Å²	30	70.7 Å²	70.7	31%	0.309	37%	0.372	S	S	.	.			trans	90.8	154.6	-170.3	0	0	0	0	0	112.7
543	A	91	Very high	89.5	Confident	42 Å²	42	67.4 Å²	67.4	35%	0.347	36%	0.36	S	S	.	.			trans	-154.6	163.9	174.7	0	0	0	0	0	108.5	C526 G545 H550 F551	C526-A543 CarbonylContact O-C 3.34Å; C526-A543 PolarHBondContact O-N 3.13Å; A543-G545 PolarHBondContact O-N 3.01Å; A543-H550 CarbonylContact O-C 3.59Å; A543-H550 VanDerWaalsContact O-CA 3.24Å; A543-H550 WeakPolarHBondContact O-CA 3.45Å; A543-H550 WeakPolarHBondContact O-CB 3.38Å; A543-F551 PolarHBondContact O-N 2.86Å
544	R	91.5	Very high	90	Very high	181 Å²	181	64.1 Å²	64.1	68%	0.683	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-67.5	128.2	173	-173.5	167.5	-178.1	74.2	3.9	110.7	C526 F551 G552	C526-R544 HydrophobicContact CB-CB 3.9Å; R544-F551 WeakPolarHBondContact CA-O 3.36Å; R544-G552 PolarHBondContact NH1-O 3.06Å
545	G	85	Confident	90.5	Very high	24 Å²	24	58.8 Å²	58.8	25%	0.247	31%	0.305	C	S	.	.	S	Bend	trans	159.5	-175.2	174.2	0	0	0	0	0	113.8	A543 H550 F551 H572	A543-G545 PolarHBondContact O-N 3.01Å; G545-H550 WeakPolarHBondContact O-CB 3.33Å; G545-F551 PolarHBondContact N-O 3.42Å; G545-H572 PolarHBondContact O-CE1 2.99Å; G545-H572 VanDerWaalsContact O-CE1 3.24Å
546	L	87.2	Confident	91	Very high	151 Å²	151	59.3 Å²	59.3	79%	0.791	30%	0.304	S	S	*	.	S	Bend	trans	-96.9	-9	-174.1	-63.5	172.3	0	0	0	114.2
547	A	86.6	Confident	91.6	Very high	40 Å²	40	52.7 Å²	52.7	33%	0.331	28%	0.276	S	S	.	.	S	Bend	trans	-65.5	160.5	179.9	0	0	0	0	0	111.5	N549 H550 K576	A547-N549 VanDerWaalsContact C-N 3.25Å; A547-N549 VanDerWaalsContact CB-OD1 3.31Å; A547-N549 WeakPolarHBondContact CB-OD1 3.34Å; A547-N549 PolarHBondContact O-N 3.25Å; A547-H550 HydrophobicContact CB-CB 4.19Å; A547-H550 WeakPolarHBondContact O-CB 3.47Å; A547-H550 PolarHBondContact O-N 2.84Å; A547-K576 PolarHBondContact O-NZ 3.1Å
548	D	86.2	Confident	91.9	Very high	73 Å²	73	51 Å²	51	39%	0.39	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.7	-176.6	-76	-24.1	0	0	0	113.3	K576 F584 K587	D548-K576 WeakPolarHBondContact O-CD 3.42Å; D548-K576 PolarHBondContact O-NZ 2.85Å; D548-F584 HydrophobicContact CB-CD1 4.01Å; D548-F584 HydrophobicContact CB-CD2 4.46Å; D548-F584 HydrophobicContact CB-CE1 3.63Å; D548-F584 HydrophobicContact CB-CE2 4.11Å; D548-F584 HydrophobicContact CB-CG 4.41Å; D548-F584 HydrophobicContact CB-CZ 3.67Å; D548-F584 VanDerWaalsContact O-CD2 3.3Å; D548-F584 WeakPolarHBondContact O-CD2 3.38Å; D548-F584 VanDerWaalsContact O-CE2 3.3Å; D548-F584 WeakPolarHBondContact O-CE2 3.44Å; D548-K587 VanDerWaalsContact OD1-CE 3.29Å; D548-K587 WeakPolarHBondContact OD1-CE 3.46Å; D548-K587 IonicContact OD1-NZ 3.12Å; D548-K587 PolarHBondContact OD1-NZ 3.14Å
549	N	89.5	Confident	92.2	Very high	79 Å²	79	48.6 Å²	48.6	42%	0.422	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.5	173	65.5	-25	0	0	0	114.5	A547 F584	A547-N549 VanDerWaalsContact C-N 3.25Å; A547-N549 VanDerWaalsContact CB-OD1 3.31Å; A547-N549 WeakPolarHBondContact CB-OD1 3.34Å; A547-N549 PolarHBondContact O-N 3.25Å; N549-F584 HydrophobicContact CB-CB 4.12Å
550	H	91.6	Very high	92.3	Very high	57 Å²	57	45.5 Å²	45.5	26%	0.264	24%	0.242	S	C	.	.			trans	-99.8	165.1	177.4	-68.4	175.8	0	0	0	111.8	A543 G545 A547 K576	A543-H550 CarbonylContact O-C 3.59Å; A543-H550 VanDerWaalsContact O-CA 3.24Å; A543-H550 WeakPolarHBondContact O-CA 3.45Å; A543-H550 WeakPolarHBondContact O-CB 3.38Å; G545-H550 WeakPolarHBondContact O-CB 3.33Å; A547-H550 HydrophobicContact CB-CB 4.19Å; A547-H550 WeakPolarHBondContact O-CB 3.47Å; A547-H550 PolarHBondContact O-N 2.84Å; H550-K576 VanDerWaalsContact O-CE 3.31Å; H550-K576 WeakPolarHBondContact O-CE 3.49Å; H550-K576 PolarHBondContact O-NZ 3.48Å
551	F	93.2	Very high	92.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-122	144.6	178.3	-60.3	-78	0	0	0	112.3	C526 I528 A543 R544 G545 P554 V567 D569 K576 F578	C526-F551 HydrophobicContact CB-CB 4.32Å; C526-F551 WeakPolarHBondContact O-CD2 3.4Å; I528-F551 HydrophobicContact CD1-CD2 4Å; I528-F551 HydrophobicContact CD1-CE1 4.2Å; I528-F551 HydrophobicContact CD1-CE2 3.11Å; I528-F551 HydrophobicContact CD1-CZ 3.23Å; A543-F551 PolarHBondContact O-N 2.86Å; R544-F551 WeakPolarHBondContact CA-O 3.36Å; G545-F551 PolarHBondContact N-O 3.42Å; F551-P554 HydrophobicContact CB-CB 4.05Å; F551-P554 HydrophobicContact CB-CG 3.83Å; F551-P554 HydrophobicContact CD1-CB 3.89Å; F551-P554 HydrophobicContact CG-CB 3.94Å; F551-P554 HydrophobicContact CG-CG 4.08Å; F551-V567 HydrophobicContact CD1-CG1 4.22Å; F551-V567 HydrophobicContact CE1-CB 3.85Å; F551-V567 HydrophobicContact CE1-CG1 3.57Å; F551-V567 HydrophobicContact CE1-CG2 4.44Å; F551-V567 HydrophobicContact CZ-CB 4.22Å; F551-V567 HydrophobicContact CZ-CG1 4.08Å; F551-V567 HydrophobicContact CZ-CG2 4.32Å; F551-D569 VanDerWaalsContact CA-OD2 3.3Å; F551-D569 WeakPolarHBondContact CA-OD2 3.21Å; F551-D569 HydrophobicContact CD1-CB 4.49Å; F551-K576 HydrophobicContact CD1-CD 3.98Å; F551-K576 HydrophobicContact CE1-CB 4.23Å; F551-K576 HydrophobicContact CE1-CD 3.8Å; F551-F578 AromaticContact CE1-CE2 3.95Å; F551-F578 HydrophobicContact CE1-CE2 3.95Å; F551-F578 HydrophobicContact CE1-CZ 4.03Å; F551-F578 HydrophobicContact CE2-CZ 4.11Å; F551-F578 HydrophobicContact CZ-CE1 4.44Å; F551-F578 AromaticContact CZ-CE2 3.44Å; F551-F578 HydrophobicContact CZ-CE2 3.44Å; F551-F578 VanDerWaalsContact CZ-CE2 3.44Å; F551-F578 AromaticContact CZ-CZ 3.36Å; F551-F578 HydrophobicContact CZ-CZ 3.36Å
552	G	90.5	Very high	92.2	Very high	6 Å²	6	49.3 Å²	49.3	6%	0.062	27%	0.269	C	S	.	.	S	Bend	trans	-90.4	-47.3	172.2	0	0	0	0	0	111.3	R544 D569 H572	R544-G552 PolarHBondContact NH1-O 3.06Å; G552-D569 PolarHBondContact N-OD1 2.98Å; G552-D569 PolarHBondContact N-OD2 2.97Å; G552-H572 VanDerWaalsContact CA-CE1 3.49Å; G552-H572 WeakPolarHBondContact CA-CE1 3.49Å; G552-H572 PolarHBondContact N-CE1 2.7Å; G552-H572 PolarHBondContact N-ND1 3.22Å
553	N	95.1	Very high	92.4	Very high	30 Å²	30	48.4 Å²	48.4	16%	0.16	26%	0.257	C	S	.	.	S	Bend	trans	-159.9	85.8	173.2	-173.3	34.2	0	0	0	109.4	Q523 D569 H570 V571	Q523-N553 WeakPolarHBondContact CG-OD1 3.4Å; Q523-N553 PolarHBondContact NE2-OD1 2.92Å; N553-D569 PolarHBondContact N-OD1 2.95Å; N553-H570 HydrophobicContact CB-CB 4.39Å; N553-H570 WeakPolarHBondContact O-CB 3.44Å; N553-H570 PolarHBondContact O-N 2.92Å; N553-V571 HydrophobicContact CB-CB 3.99Å; N553-V571 HydrophobicContact CB-CG2 3.41Å; N553-V571 VanDerWaalsContact CB-CG2 3.41Å
554	P	96.8	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.6	-177.8	32.2	-31.5	0	0	0	109.6	V521 F551 V567 S568	V521-P554 HydrophobicContact CG1-CB 3.62Å; V521-P554 HydrophobicContact CG1-CG 3.87Å; V521-P554 VanDerWaalsContact CG1-O 3.3Å; V521-P554 WeakPolarHBondContact CG1-O 3.33Å; F551-P554 HydrophobicContact CB-CB 4.05Å; F551-P554 HydrophobicContact CB-CG 3.83Å; F551-P554 HydrophobicContact CD1-CB 3.89Å; F551-P554 HydrophobicContact CG-CB 3.94Å; F551-P554 HydrophobicContact CG-CG 4.08Å; P554-V567 HydrophobicContact CB-CG1 3.93Å; P554-S568 WeakPolarHBondContact CA-O 3.47Å
555	I	96	Very high	93	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-51.6	-172.7	-63.1	-49.8	0	0	0	112.8	K508 G509 Q523 S568 H570 T602	K508-I555 WeakPolarHBondContact CB-O 3.28Å; K508-I555 HydrophobicContact CD-CB 4.43Å; K508-I555 HydrophobicContact CD-CD1 3.93Å; K508-I555 HydrophobicContact CD-CG2 3.93Å; G509-I555 PolarHBondContact N-O 2.9Å; Q523-I555 HydrophobicContact CG-CD1 4.13Å; I555-S568 PolarHBondContact N-O 2.95Å; I555-H570 HydrophobicContact CD1-CB 4.11Å; I555-H570 HydrophobicContact CG1-CB 3.37Å; I555-T602 HydrophobicContact CG2-CG2 4.21Å
556	F	97.1	Very high	93.6	Very high	22 Å²	22	38.8 Å²	38.8	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.9	-172.1	-154.8	-98.8	0	0	0	111.1	D467 V567 S568 T602 I604	D467-F556 WeakPolarHBondContact OD2-CE2 3.46Å; F556-V567 WeakPolarHBondContact O-CA 3.47Å; F556-S568 VanDerWaalsContact CB-OG 3.28Å; F556-S568 WeakPolarHBondContact CB-OG 3.3Å; F556-S568 PolarHBondContact N-OG 3.49Å; F556-S568 PolarHBondContact O-N 3.49Å; F556-S568 PolarHBondContact O-OG 2.79Å; F556-T602 WeakPolarHBondContact CB-O 3.3Å; F556-I604 HydrophobicContact CD1-CB 4.33Å; F556-I604 WeakPolarHBondContact CE1-O 3.33Å
557	I	97.2	Very high	94.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.6	179.8	-173.6	162.6	0	0	0	109.6	V511 L519 V521 I528 I565 F566 V567	V511-I557 HydrophobicContact CB-CG2 4.29Å; V511-I557 HydrophobicContact CG1-CB 4.43Å; V511-I557 HydrophobicContact CG1-CD1 4.43Å; V511-I557 HydrophobicContact CG1-CG1 3.91Å; V511-I557 HydrophobicContact CG1-CG2 3.92Å; L519-I557 HydrophobicContact CB-CD1 3.7Å; L519-I557 HydrophobicContact CD2-CD1 4.07Å; V521-I557 HydrophobicContact CG2-CB 3.5Å; V521-I557 VanDerWaalsContact CG2-CB 3.5Å; V521-I557 HydrophobicContact CG2-CD1 4.34Å; V521-I557 HydrophobicContact CG2-CG1 4.5Å; V521-I557 HydrophobicContact CG2-CG2 3.7Å; I528-I557 HydrophobicContact CG1-CD1 4.23Å; I528-I557 HydrophobicContact CG2-CD1 3.73Å; I557-I565 HydrophobicContact CD1-CG2 3.46Å; I557-I565 VanDerWaalsContact CD1-CG2 3.46Å; I557-I565 HydrophobicContact CG1-CG2 3.71Å; I557-F566 CarbonylContact C-O 3.56Å; I557-F566 VanDerWaalsContact CA-O 3.3Å; I557-F566 WeakPolarHBondContact CA-O 3.37Å; I557-V567 HydrophobicContact CD1-CG2 4.29Å; I557-V567 HydrophobicContact CG1-CG2 4.26Å
558	A	96.4	Very high	94.6	Very high	7 Å²	7	29.7 Å²	29.7	6%	0.058	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.4	171.3	0	0	0	0	0	109.2	F566 I604 F606	A558-F566 PolarHBondContact N-O 2.96Å; A558-F566 PolarHBondContact O-N 3.42Å; A558-I604 HydrophobicContact CB-CB 3.87Å; A558-I604 HydrophobicContact CB-CG2 3.91Å; A558-F606 HydrophobicContact CB-CD2 4.23Å; A558-F606 HydrophobicContact CB-CE2 3.51Å; A558-F606 HydrophobicContact CB-CZ 4.35Å
559	V	95.8	Very high	95	Very high	25 Å²	25	26.2 Å²	26.2	15%	0.152	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.1	175	-66.7	0	0	0	0	110.1	V511 D513 E564 I565 F606	V511-V559 HydrophobicContact CG1-CG1 4.03Å; V511-V559 HydrophobicContact CG1-CG2 4.45Å; V511-V559 HydrophobicContact CG2-CG2 3.91Å; D513-V559 HydrophobicContact CB-CG2 4.41Å; V559-E564 VanDerWaalsContact CA-O 3.28Å; V559-E564 WeakPolarHBondContact CA-O 3.39Å; V559-I565 HydrophobicContact CG1-CG1 4.23Å; V559-F606 VanDerWaalsContact C-CE2 3.42Å; V559-F606 VanDerWaalsContact O-CD2 3.25Å; V559-F606 WeakPolarHBondContact O-CD2 3.41Å; V559-F606 WeakPolarHBondContact O-CE2 3.38Å
560	N	94.6	Very high	95.2	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.08	12%	0.124	C	C	.	.			trans	-88	-175.9	175.9	71.8	0.9	0	0	0	111.7	R562 D563 E564 F566 F606	N560-R562 PolarHBondContact O-N 3.41Å; N560-R562 VanDerWaalsContact O-N 3.07Å; N560-R562 WeakPolarHBondContact OD1-CA 3.35Å; N560-R562 WeakPolarHBondContact OD1-CB 3.39Å; N560-R562 PolarHBondContact OD1-N 2.73Å; N560-D563 PolarHBondContact O-N 2.89Å; N560-D563 VanDerWaalsContact O-N 3.12Å; N560-D563 PolarHBondContact OD1-N 2.79Å; N560-E564 PolarHBondContact N-O 3.14Å; N560-E564 PolarHBondContact ND2-OE2 2.97Å; N560-E564 WeakPolarHBondContact OD1-CB 3.17Å; N560-E564 PolarHBondContact OD1-N 3.36Å; N560-F566 HydrophobicContact CB-CE2 4.23Å; N560-F606 HydrophobicContact CB-CD1 4.25Å; N560-F606 HydrophobicContact CB-CD2 4.49Å; N560-F606 HydrophobicContact CB-CE1 4.07Å; N560-F606 HydrophobicContact CB-CE2 4.34Å; N560-F606 HydrophobicContact CB-CG 4.45Å; N560-F606 HydrophobicContact CB-CZ 4.14Å
561	S	92.3	Very high	95.2	Very high	87 Å²	87	25.5 Å²	25.5	61%	0.608	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.5	178.4	75.5	0	0	0	0	115.4	D610	S561-D610 WeakPolarHBondContact CB-OD1 3.38Å; S561-D610 WeakPolarHBondContact CB-OD2 3.48Å; S561-D610 PolarHBondContact N-OD1 2.9Å; S561-D610 VanDerWaalsContact N-OD1 3.08Å; S561-D610 PolarHBondContact OG-OD1 2.88Å; S561-D610 PolarHBondContact OG-OD2 2.97Å
562	R	93.4	Very high	95.1	Very high	158 Å²	158	27.8 Å²	27.8	60%	0.596	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	7.3	179.7	-58.8	-179.8	-175.3	164.3	5.2	113.4	N560 E564	N560-R562 PolarHBondContact O-N 3.41Å; N560-R562 VanDerWaalsContact O-N 3.07Å; N560-R562 WeakPolarHBondContact OD1-CA 3.35Å; N560-R562 WeakPolarHBondContact OD1-CB 3.39Å; N560-R562 PolarHBondContact OD1-N 2.73Å; R562-E564 HydrophobicContact CB-CG 4.19Å; R562-E564 PolarHBondContact O-N 3.33Å
563	D	94.6	Very high	95.3	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.059	15%	0.149	C	C	.	.			trans	57.4	25.3	-170.4	-63.8	-40.1	0	0	0	113.8	S514 R515 N560 V580	S514-D563 VanDerWaalsContact CB-OD1 3.28Å; S514-D563 WeakPolarHBondContact CB-OD1 3.45Å; S514-D563 PolarHBondContact N-OD1 3.19Å; S514-D563 VanDerWaalsContact OG-CG 3.25Å; S514-D563 PolarHBondContact OG-OD1 3.47Å; S514-D563 VanDerWaalsContact OG-OD1 3.14Å; S514-D563 PolarHBondContact OG-OD2 3.44Å; R515-D563 IonicContact NE-OD2 2.67Å; N560-D563 PolarHBondContact O-N 2.89Å; N560-D563 VanDerWaalsContact O-N 3.12Å; N560-D563 PolarHBondContact OD1-N 2.79Å; D563-V580 HydrophobicContact CB-CG2 4.19Å
564	E	96.2	Very high	95.3	Very high	42 Å²	42	28 Å²	28	20%	0.196	14%	0.143	C	C	.	.			trans	-74.5	137.1	167.8	-63.5	170	158.8	0	0	108.9	V559 N560 R562 F566 V577 F578 L585	V559-E564 VanDerWaalsContact CA-O 3.28Å; V559-E564 WeakPolarHBondContact CA-O 3.39Å; N560-E564 PolarHBondContact N-O 3.14Å; N560-E564 PolarHBondContact ND2-OE2 2.97Å; N560-E564 WeakPolarHBondContact OD1-CB 3.17Å; N560-E564 PolarHBondContact OD1-N 3.36Å; R562-E564 HydrophobicContact CB-CG 4.19Å; R562-E564 PolarHBondContact O-N 3.33Å; E564-F566 HydrophobicContact CB-CE2 3.95Å; E564-V577 HydrophobicContact CB-CG1 4.44Å; E564-F578 CarbonylContact C-O 3.59Å; E564-F578 WeakPolarHBondContact CA-O 3.45Å; E564-L585 HydrophobicContact CG-CD1 4.31Å
565	I	97.1	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.6	-169.8	-52.8	166.3	0	0	0	109.2	L519 F541 I557 V559 V567 V577 F578 D579	L519-I565 HydrophobicContact CD2-CD1 3.41Å; L519-I565 VanDerWaalsContact CD2-CD1 3.41Å; L519-I565 HydrophobicContact CD2-CG1 3.71Å; L519-I565 HydrophobicContact CD2-CG2 4.1Å; F541-I565 HydrophobicContact CE1-CD1 4.03Å; F541-I565 HydrophobicContact CZ-CD1 3.85Å; F541-I565 HydrophobicContact CZ-CG2 4.37Å; I557-I565 HydrophobicContact CD1-CG2 3.46Å; I557-I565 VanDerWaalsContact CD1-CG2 3.46Å; I557-I565 HydrophobicContact CG1-CG2 3.71Å; V559-I565 HydrophobicContact CG1-CG1 4.23Å; I565-V567 HydrophobicContact CG2-CG2 4Å; I565-V577 CarbonylContact O-C 3.49Å; I565-V577 WeakPolarHBondContact O-CA 3.29Å; I565-F578 HydrophobicContact CB-CB 4.25Å; I565-F578 PolarHBondContact N-O 3.36Å; I565-F578 PolarHBondContact O-N 3.29Å; I565-D579 WeakPolarHBondContact CD1-O 3.41Å
566	F	97.6	Very high	95.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	176.9	-71.6	-111.5	0	0	0	109.3	I557 A558 N560 E564 I575 V577 F588 I604 F606 I612	I557-F566 CarbonylContact C-O 3.56Å; I557-F566 VanDerWaalsContact CA-O 3.3Å; I557-F566 WeakPolarHBondContact CA-O 3.37Å; A558-F566 PolarHBondContact N-O 2.96Å; A558-F566 PolarHBondContact O-N 3.42Å; N560-F566 HydrophobicContact CB-CE2 4.23Å; E564-F566 HydrophobicContact CB-CE2 3.95Å; F566-I575 HydrophobicContact CB-CG2 4.17Å; F566-I575 HydrophobicContact CD1-CG2 3.91Å; F566-V577 HydrophobicContact CD1-CB 4.46Å; F566-V577 HydrophobicContact CD1-CG1 4.27Å; F566-V577 HydrophobicContact CD1-CG2 3.52Å; F566-V577 HydrophobicContact CD2-CG1 4.04Å; F566-V577 HydrophobicContact CE1-CB 4.3Å; F566-V577 HydrophobicContact CE1-CG1 3.91Å; F566-V577 HydrophobicContact CE1-CG2 3.37Å; F566-V577 HydrophobicContact CE2-CG1 3.67Å; F566-V577 HydrophobicContact CG-CG1 4.32Å; F566-V577 HydrophobicContact CG-CG2 4.2Å; F566-V577 HydrophobicContact CZ-CB 4.46Å; F566-V577 HydrophobicContact CZ-CG1 3.6Å; F566-V577 HydrophobicContact CZ-CG2 3.96Å; F566-F588 HydrophobicContact CD1-CE1 4.25Å; F566-F588 HydrophobicContact CE1-CE1 4.07Å; F566-I604 HydrophobicContact CB-CD1 4.13Å; F566-I604 HydrophobicContact CB-CG2 4.47Å; F566-F606 HydrophobicContact CB-CZ 4.03Å; F566-F606 HydrophobicContact CD1-CE1 4.46Å; F566-F606 HydrophobicContact CD1-CZ 4.2Å; F566-F606 HydrophobicContact CD2-CE1 4.2Å; F566-F606 HydrophobicContact CD2-CE2 4.49Å; F566-F606 AromaticContact CD2-CZ 3.55Å; F566-F606 HydrophobicContact CD2-CZ 3.55Å; F566-F606 HydrophobicContact CE2-CE1 4.25Å; F566-F606 HydrophobicContact CE2-CZ 4.02Å; F566-F606 HydrophobicContact CG-CE1 4.32Å; F566-F606 AromaticContact CG-CZ 3.67Å; F566-F606 HydrophobicContact CG-CZ 3.67Å; F566-F606 HydrophobicContact CZ-CE1 4.41Å; F566-I612 HydrophobicContact CD1-CD1 4.15Å; F566-I612 HydrophobicContact CE1-CD1 3.49Å; F566-I612 VanDerWaalsContact CE1-CD1 3.49Å; F566-I612 HydrophobicContact CZ-CD1 4.16Å
567	V	97.7	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.9	-177.9	-174.9	0	0	0	0	109.6	V521 I528 F551 P554 F556 I557 I565 I575 K576 F578	V521-V567 HydrophobicContact CG2-CG1 4.41Å; I528-V567 HydrophobicContact CD1-CG1 4.33Å; I528-V567 HydrophobicContact CD1-CG2 4.03Å; I528-V567 HydrophobicContact CG1-CG2 4.1Å; F551-V567 HydrophobicContact CD1-CG1 4.22Å; F551-V567 HydrophobicContact CE1-CB 3.85Å; F551-V567 HydrophobicContact CE1-CG1 3.57Å; F551-V567 HydrophobicContact CE1-CG2 4.44Å; F551-V567 HydrophobicContact CZ-CB 4.22Å; F551-V567 HydrophobicContact CZ-CG1 4.08Å; F551-V567 HydrophobicContact CZ-CG2 4.32Å; P554-V567 HydrophobicContact CB-CG1 3.93Å; F556-V567 WeakPolarHBondContact O-CA 3.47Å; I557-V567 HydrophobicContact CD1-CG2 4.29Å; I557-V567 HydrophobicContact CG1-CG2 4.26Å; I565-V567 HydrophobicContact CG2-CG2 4Å; V567-I575 WeakPolarHBondContact O-CA 3.34Å; V567-K576 PolarHBondContact N-O 3.2Å; V567-K576 PolarHBondContact O-N 3.21Å; V567-F578 HydrophobicContact CG2-CD2 4.31Å; V567-F578 HydrophobicContact CG2-CE2 4.26Å
568	S	97.1	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.9	174.1	54.1	0	0	0	0	110.7	P554 I555 F556 T602	P554-S568 WeakPolarHBondContact CA-O 3.47Å; I555-S568 PolarHBondContact N-O 2.95Å; F556-S568 VanDerWaalsContact CB-OG 3.28Å; F556-S568 WeakPolarHBondContact CB-OG 3.3Å; F556-S568 PolarHBondContact N-OG 3.49Å; F556-S568 PolarHBondContact O-N 3.49Å; F556-S568 PolarHBondContact O-OG 2.79Å; S568-T602 VanDerWaalsContact CB-O 3.22Å; S568-T602 WeakPolarHBondContact CB-O 3.28Å; S568-T602 PolarHBondContact OG-O 3.33Å
569	D	95.3	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.6	173	-164.2	-30.3	0	0	0	109.7	F551 G552 N553 V571 H572 H573 S574	F551-D569 VanDerWaalsContact CA-OD2 3.3Å; F551-D569 WeakPolarHBondContact CA-OD2 3.21Å; F551-D569 HydrophobicContact CD1-CB 4.49Å; G552-D569 PolarHBondContact N-OD1 2.98Å; G552-D569 PolarHBondContact N-OD2 2.97Å; N553-D569 PolarHBondContact N-OD1 2.95Å; D569-V571 VanDerWaalsContact C-N 3.33Å; D569-V571 PolarHBondContact O-N 2.77Å; D569-V571 PolarHBondContact OD1-N 3.2Å; D569-H572 HydrophobicContact CB-CB 4.14Å; D569-H572 IonicContact OD1-CG 3.47Å; D569-H572 PolarHBondContact OD1-N 2.79Å; D569-H572 IonicContact OD1-ND1 2.67Å; D569-H572 IonicContact OD2-CE1 2.72Å; D569-H572 IonicContact OD2-CG 2.65Å; D569-H572 IonicContact OD2-ND1 2.78Å; D569-H572 PolarHBondContact OD2-ND1 2.7Å; D569-H573 PolarHBondContact O-N 2.98Å; D569-S574 PolarHBondContact N-O 3.12Å; D569-S574 PolarHBondContact O-N 3.39Å
570	H	93.7	Very high	94.7	Very high	48 Å²	48	27.9 Å²	27.9	22%	0.222	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.2	-173.4	179.5	-64.3	0	0	0	112.8	N553 I555 A600	N553-H570 HydrophobicContact CB-CB 4.39Å; N553-H570 WeakPolarHBondContact O-CB 3.44Å; N553-H570 PolarHBondContact O-N 2.92Å; I555-H570 HydrophobicContact CD1-CB 4.11Å; I555-H570 HydrophobicContact CG1-CB 3.37Å; H570-A600 WeakPolarHBondContact O-CA 3.35Å
571	V	92.2	Very high	94.4	Very high	73 Å²	73	32 Å²	32	44%	0.442	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-38.2	178.2	163	0	0	0	0	111	N553 D569 H573	N553-V571 HydrophobicContact CB-CB 3.99Å; N553-V571 HydrophobicContact CB-CG2 3.41Å; N553-V571 VanDerWaalsContact CB-CG2 3.41Å; D569-V571 VanDerWaalsContact C-N 3.33Å; D569-V571 PolarHBondContact O-N 2.77Å; D569-V571 PolarHBondContact OD1-N 3.2Å; V571-H573 PolarHBondContact O-CD2 3.19Å; V571-H573 VanDerWaalsContact O-CD2 3.29Å; V571-H573 PolarHBondContact O-N 3.46Å; V571-H573 PolarHBondContact O-NE2 2.95Å
572	H	91.4	Very high	94.3	Very high	48 Å²	48	28.4 Å²	28.4	22%	0.222	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6	177.7	-61.5	136.9	0	0	0	113.9	G545 G552 D569 S574	G545-H572 PolarHBondContact O-CE1 2.99Å; G545-H572 VanDerWaalsContact O-CE1 3.24Å; G552-H572 VanDerWaalsContact CA-CE1 3.49Å; G552-H572 WeakPolarHBondContact CA-CE1 3.49Å; G552-H572 PolarHBondContact N-CE1 2.7Å; G552-H572 PolarHBondContact N-ND1 3.22Å; D569-H572 HydrophobicContact CB-CB 4.14Å; D569-H572 IonicContact OD1-CG 3.47Å; D569-H572 PolarHBondContact OD1-N 2.79Å; D569-H572 IonicContact OD1-ND1 2.67Å; D569-H572 IonicContact OD2-CE1 2.72Å; D569-H572 IonicContact OD2-CG 2.65Å; D569-H572 IonicContact OD2-ND1 2.78Å; D569-H572 PolarHBondContact OD2-ND1 2.7Å; H572-S574 WeakPolarHBondContact O-CB 3.32Å; H572-S574 PolarHBondContact O-N 3.47Å; H572-S574 PolarHBondContact O-OG 3.4Å
573	H	94	Very high	94.3	Very high	37 Å²	37	26.5 Å²	26.5	17%	0.171	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	38.8	177.3	-50.5	-72.2	0	0	0	113.5	D569 V571 G589 N591 L598 H599 A600	D569-H573 PolarHBondContact O-N 2.98Å; V571-H573 PolarHBondContact O-CD2 3.19Å; V571-H573 VanDerWaalsContact O-CD2 3.29Å; V571-H573 PolarHBondContact O-N 3.46Å; V571-H573 PolarHBondContact O-NE2 2.95Å; H573-G589 CarbonylContact O-C 3.56Å; H573-N591 HydrophobicContact CB-CB 3.98Å; H573-L598 WeakPolarHBondContact CB-O 3.44Å; H573-H599 AromaticContact CE1-CE1 3.6Å; H573-H599 AromaticContact CE1-ND1 3.38Å; H573-H599 PolarHBondContact CE1-ND1 2.99Å; H573-H599 AromaticContact ND1-ND1 3.45Å; H573-H599 PolarHBondContact ND1-ND1 3.26Å; H573-A600 PolarHBondContact ND1-N 3.13Å
574	S	93.9	Very high	94.2	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.8	-171.7	48.2	0	0	0	0	111.6	D569 H572 F588 G589	D569-S574 PolarHBondContact N-O 3.12Å; D569-S574 PolarHBondContact O-N 3.39Å; H572-S574 WeakPolarHBondContact O-CB 3.32Å; H572-S574 PolarHBondContact O-N 3.47Å; H572-S574 PolarHBondContact O-OG 3.4Å; S574-F588 CarbonylContact C-O 3.54Å; S574-F588 WeakPolarHBondContact CA-O 3.32Å; S574-F588 VanDerWaalsContact CB-O 3.29Å; S574-F588 WeakPolarHBondContact CB-O 3.33Å; S574-G589 WeakPolarHBondContact CB-O 3.11Å
575	I	96.6	Very high	94	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.7	168.9	-52.4	-52.4	0	0	0	108.2	F566 V567 K587 F588 L598 P601 I604 I614	F566-I575 HydrophobicContact CB-CG2 4.17Å; F566-I575 HydrophobicContact CD1-CG2 3.91Å; V567-I575 WeakPolarHBondContact O-CA 3.34Å; I575-K587 CarbonylContact O-C 3.6Å; I575-K587 WeakPolarHBondContact O-CA 3.37Å; I575-K587 WeakPolarHBondContact O-CB 3.48Å; I575-F588 HydrophobicContact CB-CD1 4.32Å; I575-F588 HydrophobicContact CB-CE1 3.81Å; I575-F588 HydrophobicContact CB-CE2 4.16Å; I575-F588 HydrophobicContact CB-CZ 3.72Å; I575-F588 HydrophobicContact CG1-CE2 4.08Å; I575-F588 HydrophobicContact CG1-CZ 3.95Å; I575-F588 HydrophobicContact CG2-CE1 3.94Å; I575-F588 HydrophobicContact CG2-CZ 3.98Å; I575-F588 PolarHBondContact N-O 3.14Å; I575-F588 PolarHBondContact O-N 2.8Å; I575-L598 HydrophobicContact CD1-CD1 4.41Å; I575-L598 HydrophobicContact CG1-CD1 4.03Å; I575-P601 HydrophobicContact CD1-CB 3.87Å; I575-P601 HydrophobicContact CD1-CG 3.86Å; I575-I604 HydrophobicContact CD1-CD1 3.91Å; I575-I604 HydrophobicContact CD1-CG1 4.26Å; I575-I604 HydrophobicContact CG2-CD1 3.97Å; I575-I614 HydrophobicContact CD1-CD1 4.15Å; I575-I614 HydrophobicContact CD1-CG2 4.28Å; I575-I614 HydrophobicContact CG1-CD1 3.53Å; I575-I614 HydrophobicContact CG1-CG1 4.39Å
576	K	95.4	Very high	93.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.1	176.7	-65.2	-179.1	174.8	-130.1	0	109.4	A547 D548 H550 F551 V567 F578 F584 K587	A547-K576 PolarHBondContact O-NZ 3.1Å; D548-K576 WeakPolarHBondContact O-CD 3.42Å; D548-K576 PolarHBondContact O-NZ 2.85Å; H550-K576 VanDerWaalsContact O-CE 3.31Å; H550-K576 WeakPolarHBondContact O-CE 3.49Å; H550-K576 PolarHBondContact O-NZ 3.48Å; F551-K576 HydrophobicContact CD1-CD 3.98Å; F551-K576 HydrophobicContact CE1-CB 4.23Å; F551-K576 HydrophobicContact CE1-CD 3.8Å; V567-K576 PolarHBondContact N-O 3.2Å; V567-K576 PolarHBondContact O-N 3.21Å; K576-F578 HydrophobicContact CB-CE2 3.58Å; K576-F578 HydrophobicContact CB-CZ 4.03Å; K576-F584 HydrophobicContact CB-CE2 4.34Å; K576-F584 HydrophobicContact CG-CE2 4.44Å; K576-K587 HydrophobicContact CG-CB 4.07Å
577	V	96.3	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.6	-174.6	-167.9	0	0	0	0	109.5	E564 I565 F566 L585 Y586 F588	E564-V577 HydrophobicContact CB-CG1 4.44Å; I565-V577 CarbonylContact O-C 3.49Å; I565-V577 WeakPolarHBondContact O-CA 3.29Å; F566-V577 HydrophobicContact CD1-CB 4.46Å; F566-V577 HydrophobicContact CD1-CG1 4.27Å; F566-V577 HydrophobicContact CD1-CG2 3.52Å; F566-V577 HydrophobicContact CD2-CG1 4.04Å; F566-V577 HydrophobicContact CE1-CB 4.3Å; F566-V577 HydrophobicContact CE1-CG1 3.91Å; F566-V577 HydrophobicContact CE1-CG2 3.37Å; F566-V577 HydrophobicContact CE2-CG1 3.67Å; F566-V577 HydrophobicContact CG-CG1 4.32Å; F566-V577 HydrophobicContact CG-CG2 4.2Å; F566-V577 HydrophobicContact CZ-CB 4.46Å; F566-V577 HydrophobicContact CZ-CG1 3.6Å; F566-V577 HydrophobicContact CZ-CG2 3.96Å; V577-L585 HydrophobicContact CG1-CD1 4.31Å; V577-L585 PolarHBondContact O-N 3Å; V577-Y586 HydrophobicContact CB-CD1 4.3Å; V577-Y586 HydrophobicContact CB-CD2 4.41Å; V577-Y586 HydrophobicContact CB-CE1 4.04Å; V577-Y586 HydrophobicContact CB-CE2 4.17Å; V577-Y586 HydrophobicContact CB-CG 4.46Å; V577-Y586 HydrophobicContact CG1-CE1 3.98Å; V577-Y586 HydrophobicContact CG2-CD2 4.02Å; V577-Y586 HydrophobicContact CG2-CE1 4.3Å; V577-Y586 HydrophobicContact CG2-CE2 3.57Å; V577-Y586 PolarHBondContact N-O 2.96Å; V577-F588 HydrophobicContact CG2-CD1 4.41Å; V577-F588 HydrophobicContact CG2-CE1 4.07Å
578	F	95.8	Very high	93.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.4	-179.1	-55.8	-100	0	0	0	110.7	F541 F551 E564 I565 V567 K576 L583 F584	F541-F578 HydrophobicContact CD2-CD1 4.03Å; F541-F578 HydrophobicContact CD2-CE1 4.18Å; F541-F578 HydrophobicContact CD2-CG 4.43Å; F541-F578 HydrophobicContact CE2-CB 4.16Å; F541-F578 AromaticContact CE2-CD1 3.72Å; F541-F578 HydrophobicContact CE2-CD1 3.72Å; F541-F578 AromaticContact CE2-CD2 3.95Å; F541-F578 HydrophobicContact CE2-CD2 3.95Å; F541-F578 HydrophobicContact CE2-CE1 4.06Å; F541-F578 HydrophobicContact CE2-CE2 4.28Å; F541-F578 AromaticContact CE2-CG 3.67Å; F541-F578 HydrophobicContact CE2-CG 3.67Å; F541-F578 HydrophobicContact CE2-CZ 4.35Å; F541-F578 HydrophobicContact CZ-CB 4.44Å; F541-F578 HydrophobicContact CZ-CG 4.37Å; F551-F578 AromaticContact CE1-CE2 3.95Å; F551-F578 HydrophobicContact CE1-CE2 3.95Å; F551-F578 HydrophobicContact CE1-CZ 4.03Å; F551-F578 HydrophobicContact CE2-CZ 4.11Å; F551-F578 HydrophobicContact CZ-CE1 4.44Å; F551-F578 AromaticContact CZ-CE2 3.44Å; F551-F578 HydrophobicContact CZ-CE2 3.44Å; F551-F578 VanDerWaalsContact CZ-CE2 3.44Å; F551-F578 AromaticContact CZ-CZ 3.36Å; F551-F578 HydrophobicContact CZ-CZ 3.36Å; E564-F578 CarbonylContact C-O 3.59Å; E564-F578 WeakPolarHBondContact CA-O 3.45Å; I565-F578 HydrophobicContact CB-CB 4.25Å; I565-F578 PolarHBondContact N-O 3.36Å; I565-F578 PolarHBondContact O-N 3.29Å; V567-F578 HydrophobicContact CG2-CD2 4.31Å; V567-F578 HydrophobicContact CG2-CE2 4.26Å; K576-F578 HydrophobicContact CB-CE2 3.58Å; K576-F578 HydrophobicContact CB-CZ 4.03Å; F578-L583 CarbonylContact C-O 3.5Å; F578-L583 WeakPolarHBondContact CA-O 3.37Å; F578-L583 WeakPolarHBondContact CB-O 2.95Å; F578-F584 HydrophobicContact CD1-CB 4.04Å; F578-F584 HydrophobicContact CD1-CD2 4.48Å; F578-F584 HydrophobicContact CE1-CB 3.9Å; F578-F584 AromaticContact CE1-CD2 3.98Å; F578-F584 HydrophobicContact CE1-CD2 3.98Å; F578-F584 HydrophobicContact CE1-CG 4.46Å; F578-F584 HydrophobicContact CZ-CD2 4.09Å
579	D	92.8	Very high	93.3	Very high	31 Å²	31	40.3 Å²	40.3	17%	0.166	21%	0.209	C	C	.	.			trans	-74.3	176.1	171.2	84.6	-15.5	0	0	0	111.8	I565 N581 G582 L583 L585	I565-D579 WeakPolarHBondContact CD1-O 3.41Å; D579-N581 PolarHBondContact O-N 3.46Å; D579-N581 VanDerWaalsContact OD1-C 3.31Å; D579-N581 VanDerWaalsContact OD1-CA 3.31Å; D579-N581 WeakPolarHBondContact OD1-CA 3.5Å; D579-N581 WeakPolarHBondContact OD1-CB 3.45Å; D579-N581 PolarHBondContact OD1-N 3.46Å; D579-N581 PolarHBondContact OD2-ND2 3.41Å; D579-G582 PolarHBondContact O-N 3.3Å; D579-G582 PolarHBondContact OD1-N 2.89Å; D579-L583 PolarHBondContact N-O 2.87Å; D579-L583 WeakPolarHBondContact OD1-CB 3.44Å; D579-L583 PolarHBondContact OD1-N 2.71Å; D579-L585 HydrophobicContact CB-CD1 4.24Å; D579-L585 HydrophobicContact CB-CD2 4.23Å; D579-L585 HydrophobicContact CB-CG 4.33Å
580	V	91.5	Very high	93.1	Very high	25 Å²	25	45.2 Å²	45.2	15%	0.152	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.5	177.4	72.5	0	0	0	0	114.2	R517 D563	R517-V580 PolarHBondContact NH1-O 2.98Å; R517-V580 PolarHBondContact NH2-O 3.06Å; D563-V580 HydrophobicContact CB-CG2 4.19Å
581	N	88.5	Confident	93.2	Very high	102 Å²	102	47 Å²	47	55%	0.545	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-6.4	-179	-55.4	-56.6	0	0	0	113.1	D579	D579-N581 PolarHBondContact O-N 3.46Å; D579-N581 VanDerWaalsContact OD1-C 3.31Å; D579-N581 VanDerWaalsContact OD1-CA 3.31Å; D579-N581 WeakPolarHBondContact OD1-CA 3.5Å; D579-N581 WeakPolarHBondContact OD1-CB 3.45Å; D579-N581 PolarHBondContact OD1-N 3.46Å; D579-N581 PolarHBondContact OD2-ND2 3.41Å
582	G	90.1	Very high	93	Very high	12 Å²	12	44.3 Å²	44.3	12%	0.124	24%	0.236	C	C	.	.	S	Bend	trans	90.5	15	-177.9	0	0	0	0	0	114.9	D579	D579-G582 PolarHBondContact O-N 3.3Å; D579-G582 PolarHBondContact OD1-N 2.89Å
583	L	91.6	Very high	92.9	Very high	117 Å²	117	48 Å²	48	61%	0.613	26%	0.256	S	S	*	.			trans	-79.7	133.2	172	-63.5	175.1	0	0	0	110.2	F578 D579 L585	F578-L583 CarbonylContact C-O 3.5Å; F578-L583 WeakPolarHBondContact CA-O 3.37Å; F578-L583 WeakPolarHBondContact CB-O 2.95Å; D579-L583 PolarHBondContact N-O 2.87Å; D579-L583 WeakPolarHBondContact OD1-CB 3.44Å; D579-L583 PolarHBondContact OD1-N 2.71Å; L583-L585 PolarHBondContact O-N 3.18Å
584	F	92.7	Very high	92.7	Very high	59 Å²	59	51.1 Å²	51.1	26%	0.259	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.6	178.6	176.9	-97.6	0	0	0	111	D548 N549 K576 F578 Y586 K587	D548-F584 HydrophobicContact CB-CD1 4.01Å; D548-F584 HydrophobicContact CB-CD2 4.46Å; D548-F584 HydrophobicContact CB-CE1 3.63Å; D548-F584 HydrophobicContact CB-CE2 4.11Å; D548-F584 HydrophobicContact CB-CG 4.41Å; D548-F584 HydrophobicContact CB-CZ 3.67Å; D548-F584 VanDerWaalsContact O-CD2 3.3Å; D548-F584 WeakPolarHBondContact O-CD2 3.38Å; D548-F584 VanDerWaalsContact O-CE2 3.3Å; D548-F584 WeakPolarHBondContact O-CE2 3.44Å; N549-F584 HydrophobicContact CB-CB 4.12Å; K576-F584 HydrophobicContact CB-CE2 4.34Å; K576-F584 HydrophobicContact CG-CE2 4.44Å; F578-F584 HydrophobicContact CD1-CB 4.04Å; F578-F584 HydrophobicContact CD1-CD2 4.48Å; F578-F584 HydrophobicContact CE1-CB 3.9Å; F578-F584 AromaticContact CE1-CD2 3.98Å; F578-F584 HydrophobicContact CE1-CD2 3.98Å; F578-F584 HydrophobicContact CE1-CG 4.46Å; F578-F584 HydrophobicContact CZ-CD2 4.09Å; F584-Y586 VanDerWaalsContact CE2-O 3.28Å; F584-Y586 WeakPolarHBondContact CE2-O 3.37Å; F584-Y586 VanDerWaalsContact CZ-CA 3.47Å; F584-K587 HydrophobicContact CE2-CB 4.06Å; F584-K587 HydrophobicContact CZ-CB 3.96Å; F584-K587 HydrophobicContact CZ-CG 4.2Å
585	L	93.2	Very high	92.4	Very high	76 Å²	76	54.8 Å²	54.8	40%	0.398	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-61.4	177.3	-63.2	177.2	0	0	0	110.6	E564 V577 D579 L583	E564-L585 HydrophobicContact CG-CD1 4.31Å; V577-L585 HydrophobicContact CG1-CD1 4.31Å; V577-L585 PolarHBondContact O-N 3Å; D579-L585 HydrophobicContact CB-CD1 4.24Å; D579-L585 HydrophobicContact CB-CD2 4.23Å; D579-L585 HydrophobicContact CB-CG 4.33Å; L583-L585 PolarHBondContact O-N 3.18Å
586	Y	94.3	Very high	91.9	Very high	69 Å²	69	55.8 Å²	55.8	27%	0.271	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	173	-179.8	60.9	-86.5	0	0	0	110.5	V577 F584 F588 Q627	V577-Y586 HydrophobicContact CB-CD1 4.3Å; V577-Y586 HydrophobicContact CB-CD2 4.41Å; V577-Y586 HydrophobicContact CB-CE1 4.04Å; V577-Y586 HydrophobicContact CB-CE2 4.17Å; V577-Y586 HydrophobicContact CB-CG 4.46Å; V577-Y586 HydrophobicContact CG1-CE1 3.98Å; V577-Y586 HydrophobicContact CG2-CD2 4.02Å; V577-Y586 HydrophobicContact CG2-CE1 4.3Å; V577-Y586 HydrophobicContact CG2-CE2 3.57Å; V577-Y586 PolarHBondContact N-O 2.96Å; F584-Y586 VanDerWaalsContact CE2-O 3.28Å; F584-Y586 WeakPolarHBondContact CE2-O 3.37Å; F584-Y586 VanDerWaalsContact CZ-CA 3.47Å; Y586-F588 HydrophobicContact CD2-CD1 4.3Å; Y586-F588 AromaticContact CE2-CD1 3.95Å; Y586-F588 HydrophobicContact CE2-CD1 3.95Å; Y586-F588 HydrophobicContact CE2-CE1 4.33Å; Y586-Q627 PolarHBondContact OH-O 2.99Å
587	K	94.7	Very high	91.8	Very high	100 Å²	100	59 Å²	59	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.4	172.3	70.6	-175.8	-175.7	-170.9	0	110	D548 I575 K576 F584	D548-K587 VanDerWaalsContact OD1-CE 3.29Å; D548-K587 WeakPolarHBondContact OD1-CE 3.46Å; D548-K587 IonicContact OD1-NZ 3.12Å; D548-K587 PolarHBondContact OD1-NZ 3.14Å; I575-K587 CarbonylContact O-C 3.6Å; I575-K587 WeakPolarHBondContact O-CA 3.37Å; I575-K587 WeakPolarHBondContact O-CB 3.48Å; K576-K587 HydrophobicContact CG-CB 4.07Å; F584-K587 HydrophobicContact CE2-CB 4.06Å; F584-K587 HydrophobicContact CZ-CB 3.96Å; F584-K587 HydrophobicContact CZ-CG 4.2Å
588	F	94.9	Very high	91.6	Very high	20 Å²	20	59 Å²	59	9%	0.088	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.2	173.7	65.1	-84.7	0	0	0	110.8	F566 S574 I575 V577 Y586 I612 I614 F625	F566-F588 HydrophobicContact CD1-CE1 4.25Å; F566-F588 HydrophobicContact CE1-CE1 4.07Å; S574-F588 CarbonylContact C-O 3.54Å; S574-F588 WeakPolarHBondContact CA-O 3.32Å; S574-F588 VanDerWaalsContact CB-O 3.29Å; S574-F588 WeakPolarHBondContact CB-O 3.33Å; I575-F588 HydrophobicContact CB-CD1 4.32Å; I575-F588 HydrophobicContact CB-CE1 3.81Å; I575-F588 HydrophobicContact CB-CE2 4.16Å; I575-F588 HydrophobicContact CB-CZ 3.72Å; I575-F588 HydrophobicContact CG1-CE2 4.08Å; I575-F588 HydrophobicContact CG1-CZ 3.95Å; I575-F588 HydrophobicContact CG2-CE1 3.94Å; I575-F588 HydrophobicContact CG2-CZ 3.98Å; I575-F588 PolarHBondContact N-O 3.14Å; I575-F588 PolarHBondContact O-N 2.8Å; V577-F588 HydrophobicContact CG2-CD1 4.41Å; V577-F588 HydrophobicContact CG2-CE1 4.07Å; Y586-F588 HydrophobicContact CD2-CD1 4.3Å; Y586-F588 AromaticContact CE2-CD1 3.95Å; Y586-F588 HydrophobicContact CE2-CD1 3.95Å; Y586-F588 HydrophobicContact CE2-CE1 4.33Å; F588-I612 HydrophobicContact CE1-CD1 4.23Å; F588-I612 HydrophobicContact CZ-CD1 3.84Å; F588-I614 HydrophobicContact CE2-CD1 3.72Å; F588-I614 HydrophobicContact CZ-CD1 4.05Å; F588-F625 HydrophobicContact CD2-CD1 4.17Å; F588-F625 HydrophobicContact CD2-CE1 4.35Å; F588-F625 HydrophobicContact CE2-CB 4.4Å; F588-F625 HydrophobicContact CE2-CD1 4.04Å; F588-F625 HydrophobicContact CE2-CD2 4.39Å; F588-F625 HydrophobicContact CE2-CE1 4.42Å; F588-F625 HydrophobicContact CE2-CG 4.04Å
589	G	90.9	Very high	91.5	Very high	22 Å²	22	62 Å²	62	23%	0.227	34%	0.338	C	S	.	.			trans	95.3	139.7	-171.4	0	0	0	0	0	112.5	H573 S574	H573-G589 CarbonylContact O-C 3.56Å; S574-G589 WeakPolarHBondContact CB-O 3.11Å
590	V	91.5	Very high	91.6	Very high	103 Å²	103	60.7 Å²	60.7	62%	0.624	33%	0.331	S	S	*	.			trans	-137	150.3	176.2	-171.7	0	0	0	0	107	G592 M597 L598	V590-G592 PolarHBondContact O-N 3.44Å; V590-M597 WeakPolarHBondContact O-CA 3.41Å; V590-M597 WeakPolarHBondContact O-CB 3.42Å; V590-L598 PolarHBondContact O-N 2.84Å; V590-L598 VanDerWaalsContact O-O 3.07Å
591	N	94.7	Very high	91.8	Very high	86 Å²	86	59.5 Å²	59.5	46%	0.46	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-56.3	125.9	176.3	-168.5	21.9	0	0	0	111.5	H573 L598 H599	H573-N591 HydrophobicContact CB-CB 3.98Å; N591-L598 VanDerWaalsContact CA-O 3.27Å; N591-L598 WeakPolarHBondContact CA-O 3.39Å; N591-H599 PolarHBondContact OD1-ND1 2.84Å
592	G	88.8	Confident	92.1	Very high	15 Å²	15	55 Å²	55	16%	0.155	30%	0.3	C	S	.	.	S	Bend	trans	166.4	179.5	174.6	0	0	0	0	0	113.5	V590 L598 N619	V590-G592 PolarHBondContact O-N 3.44Å; G592-L598 PolarHBondContact N-O 3.24Å; G592-N619 PolarHBondContact O-ND2 3.15Å
593	I	88.5	Confident	92.4	Very high	127 Å²	127	54.4 Å²	54.4	65%	0.651	29%	0.294	S	S	*	.	S	Bend	trans	-109.7	-20.6	-173.6	-52.9	166.6	0	0	0	110.8	R621	I593-R621 PolarHBondContact O-NH1 2.88Å; I593-R621 PolarHBondContact O-NH2 2.68Å
594	D	89.8	Confident	92.6	Very high	101 Å²	101	49 Å²	49	54%	0.54	27%	0.266	S	S	.	.	S	Bend	trans	-68.1	158.9	-178.2	-66.8	-37.7	0	0	0	112.1	G596 M597 R621	D594-G596 PolarHBondContact O-N 3.46Å; D594-M597 HydrophobicContact CB-CE 4.26Å; D594-M597 HydrophobicContact CB-CG 4.34Å; D594-M597 HydrophobicContact CB-SD 4.11Å; D594-M597 WeakPolarHBondContact O-CB 3.29Å; D594-M597 PolarHBondContact O-N 3.36Å; D594-R621 PolarHBondContact O-NH2 3.44Å
595	P	87.4	Confident	92.6	Very high	83 Å²	83	46.6 Å²	46.6	54%	0.539	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	129.9	172.9	-27.3	36.3	0	0	0	112.4	M597 Y631	P595-M597 VanDerWaalsContact C-N 3.28Å; P595-M597 PolarHBondContact O-N 3.1Å; P595-Y631 HydrophobicContact CB-CD1 4.12Å; P595-Y631 HydrophobicContact CB-CE1 3.59Å; P595-Y631 HydrophobicContact CB-CE2 4.12Å
596	G	87.6	Confident	92.6	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-15.6	-176.6	0	0	0	0	0	115.3	D594 Y631	D594-G596 PolarHBondContact O-N 3.46Å; G596-Y631 VanDerWaalsContact N-CD2 3.29Å
597	M	92.3	Very high	92.4	Very high	69 Å²	69	41 Å²	41	34%	0.34	23%	0.232	S	C	.	.			trans	-85.2	148.4	167	-58	-171.4	-172.2	0	0	110	V590 D594 P595 R621 Q623	V590-M597 WeakPolarHBondContact O-CA 3.41Å; V590-M597 WeakPolarHBondContact O-CB 3.42Å; D594-M597 HydrophobicContact CB-CE 4.26Å; D594-M597 HydrophobicContact CB-CG 4.34Å; D594-M597 HydrophobicContact CB-SD 4.11Å; D594-M597 WeakPolarHBondContact O-CB 3.29Å; D594-M597 PolarHBondContact O-N 3.36Å; P595-M597 VanDerWaalsContact C-N 3.28Å; P595-M597 PolarHBondContact O-N 3.1Å; M597-R621 PolarHBondContact O-NH2 3.42Å; M597-Q623 PolarHBondContact O-NE2 3.17Å
598	L	92.6	Very high	92.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-118.9	144.5	-178	-64.6	175.2	0	0	0	109.3	H573 I575 V590 N591 G592 P601 I614 D616 F625	H573-L598 WeakPolarHBondContact CB-O 3.44Å; I575-L598 HydrophobicContact CD1-CD1 4.41Å; I575-L598 HydrophobicContact CG1-CD1 4.03Å; V590-L598 PolarHBondContact O-N 2.84Å; V590-L598 VanDerWaalsContact O-O 3.07Å; N591-L598 VanDerWaalsContact CA-O 3.27Å; N591-L598 WeakPolarHBondContact CA-O 3.39Å; G592-L598 PolarHBondContact N-O 3.24Å; L598-P601 HydrophobicContact CB-CG 4.45Å; L598-P601 HydrophobicContact CD1-CB 4.3Å; L598-P601 HydrophobicContact CD1-CG 4.23Å; L598-I614 HydrophobicContact CD1-CD1 4.31Å; L598-I614 HydrophobicContact CD2-CG2 4.08Å; L598-D616 HydrophobicContact CD2-CB 4.43Å; L598-F625 HydrophobicContact CD2-CE2 4.13Å; L598-F625 HydrophobicContact CD2-CZ 4.01Å; L598-F625 HydrophobicContact CG-CZ 4.4Å
599	H	93.8	Very high	91.8	Very high	65 Å²	65	48.2 Å²	48.2	30%	0.301	26%	0.259	S	S	.	.	S	Bend	trans	-125.5	100.1	170.2	-169.1	45.6	0	0	0	109.8	H573 N591 D616 G618 N619	H573-H599 AromaticContact CE1-CE1 3.6Å; H573-H599 AromaticContact CE1-ND1 3.38Å; H573-H599 PolarHBondContact CE1-ND1 2.99Å; H573-H599 AromaticContact ND1-ND1 3.45Å; H573-H599 PolarHBondContact ND1-ND1 3.26Å; N591-H599 PolarHBondContact OD1-ND1 2.84Å; H599-D616 PolarHBondContact N-OD1 3.47Å; H599-G618 VanDerWaalsContact O-CA 3.26Å; H599-G618 WeakPolarHBondContact O-CA 3.44Å; H599-G618 PolarHBondContact O-N 3.16Å; H599-N619 WeakPolarHBondContact CB-ND2 3.49Å
600	A	94.1	Very high	91.8	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.025	25%	0.253	C	S	.	.	S	Bend	trans	60.8	59.4	175.1	0	0	0	0	0	112.5	H570 H573 W617	H570-A600 WeakPolarHBondContact O-CA 3.35Å; H573-A600 PolarHBondContact ND1-N 3.13Å; A600-W617 HydrophobicContact CB-CE3 4.28Å; A600-W617 WeakPolarHBondContact O-CB 3.43Å
601	P	96.1	Very high	91.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	147.8	-174.9	28.8	-35.3	0	0	0	111.8	I575 L598 I614 S615	I575-P601 HydrophobicContact CD1-CB 3.87Å; I575-P601 HydrophobicContact CD1-CG 3.86Å; L598-P601 HydrophobicContact CB-CG 4.45Å; L598-P601 HydrophobicContact CD1-CB 4.3Å; L598-P601 HydrophobicContact CD1-CG 4.23Å; P601-I614 HydrophobicContact CB-CG2 3.73Å; P601-S615 WeakPolarHBondContact CA-O 3.29Å
602	T	95.7	Very high	91.9	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-98.6	-177.8	55.4	0	0	0	0	110.7	I555 F556 S568 S615 W617 P645 Q646	I555-T602 HydrophobicContact CG2-CG2 4.21Å; F556-T602 WeakPolarHBondContact CB-O 3.3Å; S568-T602 VanDerWaalsContact CB-O 3.22Å; S568-T602 WeakPolarHBondContact CB-O 3.28Å; S568-T602 PolarHBondContact OG-O 3.33Å; T602-S615 PolarHBondContact N-O 3.37Å; T602-S615 WeakPolarHBondContact OG1-CB 3.31Å; T602-S615 PolarHBondContact OG1-O 2.92Å; T602-W617 HydrophobicContact CG2-CB 3.57Å; T602-W617 HydrophobicContact CG2-CG 3.98Å; T602-P645 PolarHBondContact OG1-O 3.44Å; T602-Q646 PolarHBondContact OG1-O 3.46Å
603	G	94.3	Very high	92.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	145.5	-178.1	0	0	0	0	0	113.4	I614 S615 Q646	G603-I614 WeakPolarHBondContact O-CA 3.41Å; G603-S615 PolarHBondContact O-N 3.07Å; G603-Q646 VanDerWaalsContact CA-O 3.24Å; G603-Q646 WeakPolarHBondContact CA-O 3.45Å; G603-Q646 PolarHBondContact N-O 3.33Å
604	I	96.6	Very high	92.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.6	174.9	-53.5	172.5	0	0	0	107.6	F556 A558 F566 I575 F606 I612 F613	F556-I604 HydrophobicContact CD1-CB 4.33Å; F556-I604 WeakPolarHBondContact CE1-O 3.33Å; A558-I604 HydrophobicContact CB-CB 3.87Å; A558-I604 HydrophobicContact CB-CG2 3.91Å; F566-I604 HydrophobicContact CB-CD1 4.13Å; F566-I604 HydrophobicContact CB-CG2 4.47Å; I575-I604 HydrophobicContact CD1-CD1 3.91Å; I575-I604 HydrophobicContact CD1-CG1 4.26Å; I575-I604 HydrophobicContact CG2-CD1 3.97Å; I604-F606 HydrophobicContact CG2-CE2 4.32Å; I604-F606 HydrophobicContact CG2-CZ 4.1Å; I604-I612 HydrophobicContact CG2-CG2 3.85Å; I604-F613 CarbonylContact C-O 3.59Å; I604-F613 VanDerWaalsContact CA-O 3.31Å; I604-F613 WeakPolarHBondContact CA-O 3.43Å
605	G	94	Very high	92.8	Very high	9 Å²	9	29.7 Å²	29.7	9%	0.093	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.3	172.4	0	0	0	0	0	111.8	F613	G605-F613 PolarHBondContact N-O 3.04Å; G605-F613 PolarHBondContact O-N 3.37Å
606	F	93	Very high	92.9	Very high	23 Å²	23	25.8 Å²	25.8	10%	0.101	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.3	179.1	-56.4	-83.4	0	0	0	111.1	A558 V559 N560 F566 I604 R611 I612	A558-F606 HydrophobicContact CB-CD2 4.23Å; A558-F606 HydrophobicContact CB-CE2 3.51Å; A558-F606 HydrophobicContact CB-CZ 4.35Å; V559-F606 VanDerWaalsContact C-CE2 3.42Å; V559-F606 VanDerWaalsContact O-CD2 3.25Å; V559-F606 WeakPolarHBondContact O-CD2 3.41Å; V559-F606 WeakPolarHBondContact O-CE2 3.38Å; N560-F606 HydrophobicContact CB-CD1 4.25Å; N560-F606 HydrophobicContact CB-CD2 4.49Å; N560-F606 HydrophobicContact CB-CE1 4.07Å; N560-F606 HydrophobicContact CB-CE2 4.34Å; N560-F606 HydrophobicContact CB-CG 4.45Å; N560-F606 HydrophobicContact CB-CZ 4.14Å; F566-F606 HydrophobicContact CB-CZ 4.03Å; F566-F606 HydrophobicContact CD1-CE1 4.46Å; F566-F606 HydrophobicContact CD1-CZ 4.2Å; F566-F606 HydrophobicContact CD2-CE1 4.2Å; F566-F606 HydrophobicContact CD2-CE2 4.49Å; F566-F606 AromaticContact CD2-CZ 3.55Å; F566-F606 HydrophobicContact CD2-CZ 3.55Å; F566-F606 HydrophobicContact CE2-CE1 4.25Å; F566-F606 HydrophobicContact CE2-CZ 4.02Å; F566-F606 HydrophobicContact CG-CE1 4.32Å; F566-F606 AromaticContact CG-CZ 3.67Å; F566-F606 HydrophobicContact CG-CZ 3.67Å; F566-F606 HydrophobicContact CZ-CE1 4.41Å; I604-F606 HydrophobicContact CG2-CE2 4.32Å; I604-F606 HydrophobicContact CG2-CZ 4.1Å; F606-R611 WeakPolarHBondContact CA-O 3.31Å; F606-I612 HydrophobicContact CD1-CB 4.4Å; F606-I612 HydrophobicContact CD1-CG1 4.11Å; F606-I612 HydrophobicContact CD1-CG2 4.37Å; F606-I612 HydrophobicContact CE1-CB 4.2Å; F606-I612 HydrophobicContact CE1-CD1 4.32Å; F606-I612 HydrophobicContact CE1-CG1 3.79Å; F606-I612 HydrophobicContact CE1-CG2 3.86Å; F606-I612 HydrophobicContact CZ-CG2 4.49Å
607	D	89.9	Confident	93.2	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	13%	0.128	C	C	.	.			trans	-92.9	-178.1	165.9	78	-7.1	0	0	0	112.1	F609 D610 R611 F613 L650	D607-F609 PolarHBondContact O-N 2.92Å; D607-F609 VanDerWaalsContact O-N 3.08Å; D607-F609 WeakPolarHBondContact OD1-CA 3.44Å; D607-F609 PolarHBondContact OD1-N 3.28Å; D607-D610 PolarHBondContact O-N 3.32Å; D607-D610 PolarHBondContact OD1-N 3.16Å; D607-D610 VanDerWaalsContact OD1-N 3.13Å; D607-R611 PolarHBondContact N-O 3.12Å; D607-R611 WeakPolarHBondContact OD1-CB 3Å; D607-R611 PolarHBondContact OD1-N 2.94Å; D607-R611 IonicContact OD1-NE 3.07Å; D607-R611 IonicContact OD2-CZ 3.13Å; D607-R611 IonicContact OD2-NE 2.81Å; D607-R611 PolarHBondContact OD2-NE 3.12Å; D607-R611 IonicContact OD2-NH2 2.68Å; D607-R611 PolarHBondContact OD2-NH2 3.4Å; D607-F613 HydrophobicContact CB-CE2 3.89Å; D607-L650 HydrophobicContact CB-CD2 3.92Å
608	R	87.7	Confident	93	Very high	174 Å²	174	27.5 Å²	27.5	66%	0.657	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.8	178	64.2	175	-76.3	-141.4	-2	115.2
609	F	89.1	Confident	92.8	Very high	99 Å²	99	29 Å²	29	43%	0.434	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	12.5	178.4	-57.4	-71	0	0	0	111.3	D607 R611 Q627	D607-F609 PolarHBondContact O-N 2.92Å; D607-F609 VanDerWaalsContact O-N 3.08Å; D607-F609 WeakPolarHBondContact OD1-CA 3.44Å; D607-F609 PolarHBondContact OD1-N 3.28Å; F609-R611 HydrophobicContact CB-CG 4.44Å; F609-R611 PolarHBondContact O-N 3.01Å; F609-Q627 PolarHBondContact O-NE2 3.39Å
610	D	91.4	Very high	92.6	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.107	14%	0.137	C	C	.	.			trans	54.6	28.3	-173.1	-65.3	-44.7	0	0	0	113.9	S561 D607 Q627	S561-D610 WeakPolarHBondContact CB-OD1 3.38Å; S561-D610 WeakPolarHBondContact CB-OD2 3.48Å; S561-D610 PolarHBondContact N-OD1 2.9Å; S561-D610 VanDerWaalsContact N-OD1 3.08Å; S561-D610 PolarHBondContact OG-OD1 2.88Å; S561-D610 PolarHBondContact OG-OD2 2.97Å; D607-D610 PolarHBondContact O-N 3.32Å; D607-D610 PolarHBondContact OD1-N 3.16Å; D607-D610 VanDerWaalsContact OD1-N 3.13Å; D610-Q627 HydrophobicContact CB-CG 3.75Å; D610-Q627 WeakPolarHBondContact O-CG 3.45Å
611	R	93	Very high	92.4	Very high	44 Å²	44	30.4 Å²	30.4	17%	0.166	14%	0.14	C	C	.	.			trans	-70.2	135.7	165.4	-62.9	-177.3	-63.8	-178.3	1.9	108.4	F606 D607 F609 F613 V624 F625 L632 N673	F606-R611 WeakPolarHBondContact CA-O 3.31Å; D607-R611 PolarHBondContact N-O 3.12Å; D607-R611 WeakPolarHBondContact OD1-CB 3Å; D607-R611 PolarHBondContact OD1-N 2.94Å; D607-R611 IonicContact OD1-NE 3.07Å; D607-R611 IonicContact OD2-CZ 3.13Å; D607-R611 IonicContact OD2-NE 2.81Å; D607-R611 PolarHBondContact OD2-NE 3.12Å; D607-R611 IonicContact OD2-NH2 2.68Å; D607-R611 PolarHBondContact OD2-NH2 3.4Å; F609-R611 HydrophobicContact CB-CG 4.44Å; F609-R611 PolarHBondContact O-N 3.01Å; R611-F613 HydrophobicContact CB-CE2 4.17Å; R611-F613 WeakPolarHBondContact O-CD2 3.17Å; R611-V624 HydrophobicContact CB-CG1 4.2Å; R611-F625 CarbonylContact C-O 3.52Å; R611-F625 WeakPolarHBondContact CA-O 3.5Å; R611-L632 HydrophobicContact CG-CD1 4.25Å; R611-N673 PolarHBondContact NH2-OD1 3.27Å; R611-N673 VanDerWaalsContact NH2-OD1 3.08Å
612	I	94.5	Very high	92.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123	-170.4	-40.2	-178.9	0	0	0	108.9	F566 F588 I604 F606 I614 V624 F625 D626	F566-I612 HydrophobicContact CD1-CD1 4.15Å; F566-I612 HydrophobicContact CE1-CD1 3.49Å; F566-I612 VanDerWaalsContact CE1-CD1 3.49Å; F566-I612 HydrophobicContact CZ-CD1 4.16Å; F588-I612 HydrophobicContact CE1-CD1 4.23Å; F588-I612 HydrophobicContact CZ-CD1 3.84Å; I604-I612 HydrophobicContact CG2-CG2 3.85Å; F606-I612 HydrophobicContact CD1-CB 4.4Å; F606-I612 HydrophobicContact CD1-CG1 4.11Å; F606-I612 HydrophobicContact CD1-CG2 4.37Å; F606-I612 HydrophobicContact CE1-CB 4.2Å; F606-I612 HydrophobicContact CE1-CD1 4.32Å; F606-I612 HydrophobicContact CE1-CG1 3.79Å; F606-I612 HydrophobicContact CE1-CG2 3.86Å; F606-I612 HydrophobicContact CZ-CG2 4.49Å; I612-I614 HydrophobicContact CG2-CD1 4.19Å; I612-I614 HydrophobicContact CG2-CG1 3.97Å; I612-V624 CarbonylContact O-C 3.56Å; I612-V624 VanDerWaalsContact O-CA 3.22Å; I612-V624 WeakPolarHBondContact O-CA 3.36Å; I612-F625 HydrophobicContact CB-CB 4.21Å; I612-F625 PolarHBondContact N-O 2.69Å; I612-F625 PolarHBondContact O-N 2.77Å; I612-D626 WeakPolarHBondContact CD1-O 3.25Å; I612-D626 WeakPolarHBondContact CG1-O 3.49Å
613	F	94.9	Very high	92	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.9	174.9	-66.6	-111.8	0	0	0	108.2	I604 G605 D607 R611 V622 Q623 V624 I635 L648 L650 L657 A672	I604-F613 CarbonylContact C-O 3.59Å; I604-F613 VanDerWaalsContact CA-O 3.31Å; I604-F613 WeakPolarHBondContact CA-O 3.43Å; G605-F613 PolarHBondContact N-O 3.04Å; G605-F613 PolarHBondContact O-N 3.37Å; D607-F613 HydrophobicContact CB-CE2 3.89Å; R611-F613 HydrophobicContact CB-CE2 4.17Å; R611-F613 WeakPolarHBondContact O-CD2 3.17Å; F613-V622 HydrophobicContact CB-CG1 4.44Å; F613-Q623 CarbonylContact C-O 3.54Å; F613-Q623 WeakPolarHBondContact CA-O 3.2Å; F613-V624 HydrophobicContact CD1-CG2 3.65Å; F613-V624 HydrophobicContact CD2-CG1 4.37Å; F613-V624 HydrophobicContact CE1-CG1 4.28Å; F613-V624 HydrophobicContact CE1-CG2 3.63Å; F613-V624 HydrophobicContact CE2-CG1 4.08Å; F613-V624 HydrophobicContact CG-CG2 4.3Å; F613-V624 HydrophobicContact CZ-CG1 4.04Å; F613-V624 HydrophobicContact CZ-CG2 4.22Å; F613-I635 HydrophobicContact CD1-CD1 3.73Å; F613-I635 HydrophobicContact CE1-CD1 3.62Å; F613-L648 HydrophobicContact CB-CD1 4.29Å; F613-L650 HydrophobicContact CB-CD1 4.26Å; F613-L650 HydrophobicContact CD2-CD1 4.25Å; F613-L650 HydrophobicContact CD2-CD2 3.82Å; F613-L650 HydrophobicContact CE1-CD2 4.39Å; F613-L650 HydrophobicContact CE2-CD2 3.74Å; F613-L650 HydrophobicContact CG-CD1 4.26Å; F613-L650 HydrophobicContact CG-CD2 4.25Å; F613-L650 HydrophobicContact CZ-CD2 4.03Å; F613-L657 HydrophobicContact CB-CD1 4.45Å; F613-L657 HydrophobicContact CD1-CD1 4.16Å; F613-L657 HydrophobicContact CD1-CD2 3.96Å; F613-L657 HydrophobicContact CE1-CD2 4.43Å; F613-L657 HydrophobicContact CG-CD1 4.47Å; F613-A672 HydrophobicContact CE1-CB 4.03Å; F613-A672 HydrophobicContact CZ-CB 3.99Å
614	I	95.6	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.2	-175.1	-61	169.7	0	0	0	109.4	I575 F588 L598 P601 G603 I612 D616 V622 Q623 F625	I575-I614 HydrophobicContact CD1-CD1 4.15Å; I575-I614 HydrophobicContact CD1-CG2 4.28Å; I575-I614 HydrophobicContact CG1-CD1 3.53Å; I575-I614 HydrophobicContact CG1-CG1 4.39Å; F588-I614 HydrophobicContact CE2-CD1 3.72Å; F588-I614 HydrophobicContact CZ-CD1 4.05Å; L598-I614 HydrophobicContact CD1-CD1 4.31Å; L598-I614 HydrophobicContact CD2-CG2 4.08Å; P601-I614 HydrophobicContact CB-CG2 3.73Å; G603-I614 WeakPolarHBondContact O-CA 3.41Å; I612-I614 HydrophobicContact CG2-CD1 4.19Å; I612-I614 HydrophobicContact CG2-CG1 3.97Å; I614-D616 PolarHBondContact O-N 3.03Å; I614-V622 CarbonylContact O-C 3.53Å; I614-V622 VanDerWaalsContact O-CA 3.3Å; I614-V622 WeakPolarHBondContact O-CA 3.41Å; I614-Q623 PolarHBondContact N-O 3.18Å; I614-Q623 PolarHBondContact O-N 3.47Å; I614-F625 HydrophobicContact CD1-CD2 3.64Å; I614-F625 HydrophobicContact CD1-CE2 3.7Å; I614-F625 HydrophobicContact CD1-CG 4.49Å; I614-F625 HydrophobicContact CG1-CD2 4.34Å; I614-F625 HydrophobicContact CG1-CE2 4.47Å
615	S	94.2	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.1	166.6	-76.8	0	0	0	0	108.7	P601 T602 G603 W617 Q646 L648	P601-S615 WeakPolarHBondContact CA-O 3.29Å; T602-S615 PolarHBondContact N-O 3.37Å; T602-S615 WeakPolarHBondContact OG1-CB 3.31Å; T602-S615 PolarHBondContact OG1-O 2.92Å; G603-S615 PolarHBondContact O-N 3.07Å; S615-W617 PolarHBondContact O-N 3.16Å; S615-Q646 VanDerWaalsContact CB-O 3.27Å; S615-Q646 WeakPolarHBondContact CB-O 3.06Å; S615-Q646 PolarHBondContact OG-O 2.82Å; S615-L648 VanDerWaalsContact N-CD1 3.32Å; S615-L648 WeakPolarHBondContact OG-CD1 3.42Å; S615-L648 VanDerWaalsContact OG-CD2 3.28Å; S615-L648 WeakPolarHBondContact OG-CD2 3.44Å; S615-L648 WeakPolarHBondContact OG-CG 3.48Å
616	D	91.4	Very high	91.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	77.2	177	-170.1	4.5	0	0	0	108.1	L598 H599 I614 G618 N619 N620 R621 Q623	L598-D616 HydrophobicContact CD2-CB 4.43Å; H599-D616 PolarHBondContact N-OD1 3.47Å; I614-D616 PolarHBondContact O-N 3.03Å; D616-G618 VanDerWaalsContact C-N 3.33Å; D616-G618 PolarHBondContact O-N 2.97Å; D616-N619 HydrophobicContact CB-CB 4.48Å; D616-N619 CarbonylContact O-C 3.49Å; D616-N619 PolarHBondContact O-N 2.76Å; D616-N619 VanDerWaalsContact O-N 3.12Å; D616-N619 PolarHBondContact OD1-ND2 3.42Å; D616-N619 WeakPolarHBondContact OD2-CB 3.25Å; D616-N619 PolarHBondContact OD2-ND2 3.4Å; D616-N620 PolarHBondContact O-N 3.36Å; D616-R621 WeakPolarHBondContact CA-O 3.43Å; D616-R621 HydrophobicContact CB-CG 3.72Å; D616-R621 WeakPolarHBondContact CB-O 3.15Å; D616-R621 PolarHBondContact N-O 2.97Å; D616-R621 PolarHBondContact O-N 3.43Å; D616-R621 IonicContact OD2-CZ 3.37Å; D616-R621 IonicContact OD2-NE 3.56Å; D616-R621 PolarHBondContact OD2-NE 3.36Å; D616-R621 IonicContact OD2-NH2 3.86Å; D616-R621 PolarHBondContact OD2-NH2 3.48Å; D616-Q623 PolarHBondContact OD2-NE2 2.69Å
617	W	92.8	Very high	91.5	Very high	102 Å²	102	34.2 Å²	34.2	39%	0.386	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-54.7	-45.8	-168.4	177.4	90.7	0	0	0	112.5	A600 T602 S615 N619 N620 G644	A600-W617 HydrophobicContact CB-CE3 4.28Å; A600-W617 WeakPolarHBondContact O-CB 3.43Å; T602-W617 HydrophobicContact CG2-CB 3.57Å; T602-W617 HydrophobicContact CG2-CG 3.98Å; S615-W617 PolarHBondContact O-N 3.16Å; W617-N619 VanDerWaalsContact C-N 3.28Å; W617-N619 PolarHBondContact O-N 2.8Å; W617-N620 PolarHBondContact O-N 2.87Å; W617-N620 PolarHBondContact O-OD1 2.75Å; W617-G644 VanDerWaalsContact CD1-CA 3.45Å; W617-G644 PolarHBondContact NE1-O 3.33Å
618	G	88	Confident	91.4	Very high	24 Å²	24	38.2 Å²	38.2	25%	0.247	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-70.8	-23.4	-177.3	0	0	0	0	0	113.8	H599 D616	H599-G618 VanDerWaalsContact O-CA 3.26Å; H599-G618 WeakPolarHBondContact O-CA 3.44Å; H599-G618 PolarHBondContact O-N 3.16Å; D616-G618 VanDerWaalsContact C-N 3.33Å; D616-G618 PolarHBondContact O-N 2.97Å
619	N	88.8	Confident	91.5	Very high	31 Å²	31	30.4 Å²	30.4	17%	0.166	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-102.2	7.2	175.7	-66.5	-39.1	0	0	0	113.1	G592 H599 D616 W617 R621	G592-N619 PolarHBondContact O-ND2 3.15Å; H599-N619 WeakPolarHBondContact CB-ND2 3.49Å; D616-N619 HydrophobicContact CB-CB 4.48Å; D616-N619 CarbonylContact O-C 3.49Å; D616-N619 PolarHBondContact O-N 2.76Å; D616-N619 VanDerWaalsContact O-N 3.12Å; D616-N619 PolarHBondContact OD1-ND2 3.42Å; D616-N619 WeakPolarHBondContact OD2-CB 3.25Å; D616-N619 PolarHBondContact OD2-ND2 3.4Å; W617-N619 VanDerWaalsContact C-N 3.28Å; W617-N619 PolarHBondContact O-N 2.8Å; N619-R621 VanDerWaalsContact C-N 3.29Å; N619-R621 HydrophobicContact CB-CG 3.96Å; N619-R621 PolarHBondContact ND2-NH2 3.16Å; N619-R621 PolarHBondContact O-N 2.8Å
620	N	89.7	Confident	91.6	Very high	76 Å²	76	30.3 Å²	30.3	41%	0.406	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	39.2	177.1	-67.3	-39.6	0	0	0	114.7	D616 W617 L642 G644	D616-N620 PolarHBondContact O-N 3.36Å; W617-N620 PolarHBondContact O-N 2.87Å; W617-N620 PolarHBondContact O-OD1 2.75Å; N620-L642 WeakPolarHBondContact CB-O 3.36Å; N620-G644 PolarHBondContact OD1-N 2.78Å
621	R	89.6	Confident	91.6	Very high	22 Å²	22	33 Å²	33	8%	0.083	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	170.2	-175.4	65	-177.7	178.7	-176.2	2.5	112.4	I593 D594 M597 D616 N619 Q623 M634	I593-R621 PolarHBondContact O-NH1 2.88Å; I593-R621 PolarHBondContact O-NH2 2.68Å; D594-R621 PolarHBondContact O-NH2 3.44Å; M597-R621 PolarHBondContact O-NH2 3.42Å; D616-R621 WeakPolarHBondContact CA-O 3.43Å; D616-R621 HydrophobicContact CB-CG 3.72Å; D616-R621 WeakPolarHBondContact CB-O 3.15Å; D616-R621 PolarHBondContact N-O 2.97Å; D616-R621 PolarHBondContact O-N 3.43Å; D616-R621 IonicContact OD2-CZ 3.37Å; D616-R621 IonicContact OD2-NE 3.56Å; D616-R621 PolarHBondContact OD2-NE 3.36Å; D616-R621 IonicContact OD2-NH2 3.86Å; D616-R621 PolarHBondContact OD2-NH2 3.48Å; N619-R621 VanDerWaalsContact C-N 3.29Å; N619-R621 HydrophobicContact CB-CG 3.96Å; N619-R621 PolarHBondContact ND2-NH2 3.16Å; N619-R621 PolarHBondContact O-N 2.8Å; R621-Q623 HydrophobicContact CG-CG 4.3Å; R621-Q623 VanDerWaalsContact CZ-NE2 3.34Å; R621-M634 HydrophobicContact CB-CG 4.33Å; R621-M634 HydrophobicContact CB-SD 4.19Å; R621-M634 WeakPolarHBondContact CD-SD 3.29Å; R621-M634 HydrophobicContact CG-SD 4.38Å
622	V	91.8	Very high	91.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.8	166.7	176.6	0	0	0	0	109.2	F613 I614 I635 L642 L648 L657 V659	F613-V622 HydrophobicContact CB-CG1 4.44Å; I614-V622 CarbonylContact O-C 3.53Å; I614-V622 VanDerWaalsContact O-CA 3.3Å; I614-V622 WeakPolarHBondContact O-CA 3.41Å; V622-I635 HydrophobicContact CB-CB 4.29Å; V622-I635 HydrophobicContact CG1-CD1 4.31Å; V622-I635 PolarHBondContact O-N 3.13Å; V622-L642 HydrophobicContact CG2-CD1 3.95Å; V622-L648 HydrophobicContact CG1-CD1 4.22Å; V622-L648 HydrophobicContact CG2-CD2 4.09Å; V622-L657 HydrophobicContact CG1-CD2 4.16Å; V622-V659 HydrophobicContact CG2-CG1 4.24Å; V622-V659 HydrophobicContact CG2-CG2 4.17Å
623	Q	91	Very high	91.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.4	178.3	-68.6	-167	74.4	0	0	111.2	M597 F613 I614 D616 R621 F625 Y631	M597-Q623 PolarHBondContact O-NE2 3.17Å; F613-Q623 CarbonylContact C-O 3.54Å; F613-Q623 WeakPolarHBondContact CA-O 3.2Å; I614-Q623 PolarHBondContact N-O 3.18Å; I614-Q623 PolarHBondContact O-N 3.47Å; D616-Q623 PolarHBondContact OD2-NE2 2.69Å; R621-Q623 HydrophobicContact CG-CG 4.3Å; R621-Q623 VanDerWaalsContact CZ-NE2 3.34Å; Q623-F625 HydrophobicContact CB-CD2 4.33Å; Q623-F625 HydrophobicContact CB-CE2 3.53Å; Q623-F625 HydrophobicContact CB-CZ 4.18Å; Q623-Y631 HydrophobicContact CB-CE2 4.39Å; Q623-Y631 HydrophobicContact CG-CE2 4.27Å; Q623-Y631 VanDerWaalsContact OE1-CD2 3.27Å
624	V	92	Very high	90.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	-179.4	-168.5	0	0	0	0	109.3	R611 I612 F613 L632 R633 I635	R611-V624 HydrophobicContact CB-CG1 4.2Å; I612-V624 CarbonylContact O-C 3.56Å; I612-V624 VanDerWaalsContact O-CA 3.22Å; I612-V624 WeakPolarHBondContact O-CA 3.36Å; F613-V624 HydrophobicContact CD1-CG2 3.65Å; F613-V624 HydrophobicContact CD2-CG1 4.37Å; F613-V624 HydrophobicContact CE1-CG1 4.28Å; F613-V624 HydrophobicContact CE1-CG2 3.63Å; F613-V624 HydrophobicContact CE2-CG1 4.08Å; F613-V624 HydrophobicContact CG-CG2 4.3Å; F613-V624 HydrophobicContact CZ-CG1 4.04Å; F613-V624 HydrophobicContact CZ-CG2 4.22Å; V624-L632 HydrophobicContact CG1-CD1 4.42Å; V624-L632 WeakPolarHBondContact O-CA 3.29Å; V624-L632 WeakPolarHBondContact O-CB 3.46Å; V624-L632 PolarHBondContact O-N 3.44Å; V624-R633 HydrophobicContact CB-CG 3.95Å; V624-R633 HydrophobicContact CG2-CG 3.98Å; V624-R633 PolarHBondContact N-O 3.4Å; V624-R633 PolarHBondContact O-N 2.97Å; V624-I635 HydrophobicContact CG2-CD1 3.89Å; V624-I635 HydrophobicContact CG2-CG1 4.07Å
625	F	93.2	Very high	90	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160.6	179.6	-61.4	-103.2	0	0	0	110.6	F588 L598 R611 I612 I614 Q623 G629 N630 Y631	F588-F625 HydrophobicContact CD2-CD1 4.17Å; F588-F625 HydrophobicContact CD2-CE1 4.35Å; F588-F625 HydrophobicContact CE2-CB 4.4Å; F588-F625 HydrophobicContact CE2-CD1 4.04Å; F588-F625 HydrophobicContact CE2-CD2 4.39Å; F588-F625 HydrophobicContact CE2-CE1 4.42Å; F588-F625 HydrophobicContact CE2-CG 4.04Å; L598-F625 HydrophobicContact CD2-CE2 4.13Å; L598-F625 HydrophobicContact CD2-CZ 4.01Å; L598-F625 HydrophobicContact CG-CZ 4.4Å; R611-F625 CarbonylContact C-O 3.52Å; R611-F625 WeakPolarHBondContact CA-O 3.5Å; I612-F625 HydrophobicContact CB-CB 4.21Å; I612-F625 PolarHBondContact N-O 2.69Å; I612-F625 PolarHBondContact O-N 2.77Å; I614-F625 HydrophobicContact CD1-CD2 3.64Å; I614-F625 HydrophobicContact CD1-CE2 3.7Å; I614-F625 HydrophobicContact CD1-CG 4.49Å; I614-F625 HydrophobicContact CG1-CD2 4.34Å; I614-F625 HydrophobicContact CG1-CE2 4.47Å; Q623-F625 HydrophobicContact CB-CD2 4.33Å; Q623-F625 HydrophobicContact CB-CE2 3.53Å; Q623-F625 HydrophobicContact CB-CZ 4.18Å; F625-G629 WeakPolarHBondContact CD1-O 3.49Å; F625-N630 CarbonylContact C-O 3.5Å; F625-N630 WeakPolarHBondContact CA-O 3.18Å; F625-N630 WeakPolarHBondContact CB-O 3.22Å; F625-Y631 HydrophobicContact CE1-CD2 4.32Å; F625-Y631 HydrophobicContact CZ-CD2 4.29Å
626	D	91.6	Very high	88.8	Confident	40 Å²	40	44 Å²	44	21%	0.214	22%	0.224	C	C	.	.			trans	-78.3	177	169	72.5	16.2	0	0	0	112	I612 T628 G629 N630 L632	I612-D626 WeakPolarHBondContact CD1-O 3.25Å; I612-D626 WeakPolarHBondContact CG1-O 3.49Å; D626-T628 VanDerWaalsContact CG-OG1 3.28Å; D626-T628 PolarHBondContact O-N 3.08Å; D626-T628 VanDerWaalsContact O-N 3.1Å; D626-T628 WeakPolarHBondContact OD1-CA 3.26Å; D626-T628 PolarHBondContact OD1-N 2.91Å; D626-T628 PolarHBondContact OD1-OG1 3.34Å; D626-T628 PolarHBondContact OD2-OG1 2.73Å; D626-G629 PolarHBondContact O-N 3.46Å; D626-G629 VanDerWaalsContact O-N 3.11Å; D626-G629 PolarHBondContact OD1-N 3.44Å; D626-N630 PolarHBondContact N-O 2.98Å; D626-N630 PolarHBondContact OD1-N 2.94Å; D626-N630 VanDerWaalsContact OD2-CB 3.32Å; D626-N630 WeakPolarHBondContact OD2-CB 3.39Å; D626-N630 PolarHBondContact OD2-ND2 3.16Å; D626-L632 HydrophobicContact CB-CD1 4.11Å; D626-L632 HydrophobicContact CB-CD2 4.24Å; D626-L632 HydrophobicContact CB-CG 4.25Å
627	Q	90.4	Very high	87.5	Confident	79 Å²	79	44.3 Å²	44.3	37%	0.369	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.6	180	-63.9	175.1	10	0	0	113.9	Y586 F609 D610	Y586-Q627 PolarHBondContact OH-O 2.99Å; F609-Q627 PolarHBondContact O-NE2 3.39Å; D610-Q627 HydrophobicContact CB-CG 3.75Å; D610-Q627 WeakPolarHBondContact O-CG 3.45Å
628	T	89.5	Confident	86.1	Confident	88 Å²	88	49 Å²	49	54%	0.54	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-3	-179.4	60.2	0	0	0	0	113	D626 N630	D626-T628 VanDerWaalsContact CG-OG1 3.28Å; D626-T628 PolarHBondContact O-N 3.08Å; D626-T628 VanDerWaalsContact O-N 3.1Å; D626-T628 WeakPolarHBondContact OD1-CA 3.26Å; D626-T628 PolarHBondContact OD1-N 2.91Å; D626-T628 PolarHBondContact OD1-OG1 3.34Å; D626-T628 PolarHBondContact OD2-OG1 2.73Å; T628-N630 PolarHBondContact OG1-ND2 3.02Å
629	G	89.2	Confident	84.8	Confident	10 Å²	10	53.9 Å²	53.9	10%	0.103	27%	0.269	C	S	.	.	S	Bend	trans	89.6	14.2	-179.3	0	0	0	0	0	114.9	F625 D626	F625-G629 WeakPolarHBondContact CD1-O 3.49Å; D626-G629 PolarHBondContact O-N 3.46Å; D626-G629 VanDerWaalsContact O-N 3.11Å; D626-G629 PolarHBondContact OD1-N 3.44Å
630	N	91.2	Very high	83.8	Confident	96 Å²	96	56.1 Å²	56.1	51%	0.513	28%	0.279	S	S	.	.			trans	-80.6	138.7	171	-52.9	-55.2	0	0	0	110.4	F625 D626 T628	F625-N630 CarbonylContact C-O 3.5Å; F625-N630 WeakPolarHBondContact CA-O 3.18Å; F625-N630 WeakPolarHBondContact CB-O 3.22Å; D626-N630 PolarHBondContact N-O 2.98Å; D626-N630 PolarHBondContact OD1-N 2.94Å; D626-N630 VanDerWaalsContact OD2-CB 3.32Å; D626-N630 WeakPolarHBondContact OD2-CB 3.39Å; D626-N630 PolarHBondContact OD2-ND2 3.16Å; T628-N630 PolarHBondContact OG1-ND2 3.02Å
631	Y	91.4	Very high	83.4	Confident	78 Å²	78	57 Å²	57	31%	0.306	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.4	178.2	174.4	-97.9	0	0	0	111.8	P595 G596 Q623 F625 R633 M634	P595-Y631 HydrophobicContact CB-CD1 4.12Å; P595-Y631 HydrophobicContact CB-CE1 3.59Å; P595-Y631 HydrophobicContact CB-CE2 4.12Å; G596-Y631 VanDerWaalsContact N-CD2 3.29Å; Q623-Y631 HydrophobicContact CB-CE2 4.39Å; Q623-Y631 HydrophobicContact CG-CE2 4.27Å; Q623-Y631 VanDerWaalsContact OE1-CD2 3.27Å; F625-Y631 HydrophobicContact CE1-CD2 4.32Å; F625-Y631 HydrophobicContact CZ-CD2 4.29Å; Y631-R633 VanDerWaalsContact CE2-C 3.45Å; Y631-R633 VanDerWaalsContact CE2-O 3.28Å; Y631-R633 WeakPolarHBondContact CE2-O 3.41Å; Y631-R633 VanDerWaalsContact CZ-CA 3.46Å; Y631-R633 WeakPolarHBondContact OH-CA 3.15Å; Y631-M634 WeakPolarHBondContact OH-CB 3.41Å; Y631-M634 PolarHBondContact OH-N 2.86Å
632	L	89.4	Confident	83.2	Confident	81 Å²	81	56.5 Å²	56.5	42%	0.424	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-56.2	175.7	-63	177.6	0	0	0	111.9	R611 V624 D626	R611-L632 HydrophobicContact CG-CD1 4.25Å; V624-L632 HydrophobicContact CG1-CD1 4.42Å; V624-L632 WeakPolarHBondContact O-CA 3.29Å; V624-L632 WeakPolarHBondContact O-CB 3.46Å; V624-L632 PolarHBondContact O-N 3.44Å; D626-L632 HydrophobicContact CB-CD1 4.11Å; D626-L632 HydrophobicContact CB-CD2 4.24Å; D626-L632 HydrophobicContact CB-CG 4.25Å
633	R	87.9	Confident	83	Confident	41 Å²	41	58.8 Å²	58.8	16%	0.155	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	171.9	-177	69.9	178.8	-177.3	-68.4	-3.8	112.2	V624 Y631 A672	V624-R633 HydrophobicContact CB-CG 3.95Å; V624-R633 HydrophobicContact CG2-CG 3.98Å; V624-R633 PolarHBondContact N-O 3.4Å; V624-R633 PolarHBondContact O-N 2.97Å; Y631-R633 VanDerWaalsContact CE2-C 3.45Å; Y631-R633 VanDerWaalsContact CE2-O 3.28Å; Y631-R633 WeakPolarHBondContact CE2-O 3.41Å; Y631-R633 VanDerWaalsContact CZ-CA 3.46Å; Y631-R633 WeakPolarHBondContact OH-CA 3.15Å; R633-A672 PolarHBondContact NH2-O 3.48Å
634	M	85.6	Confident	82.8	Confident	71 Å²	71	59.1 Å²	59.1	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.3	172.9	178.1	179.2	68.4	0	0	109.6	R621 Y631 D636	R621-M634 HydrophobicContact CB-CG 4.33Å; R621-M634 HydrophobicContact CB-SD 4.19Å; R621-M634 WeakPolarHBondContact CD-SD 3.29Å; R621-M634 HydrophobicContact CG-SD 4.38Å; Y631-M634 WeakPolarHBondContact OH-CB 3.41Å; Y631-M634 PolarHBondContact OH-N 2.86Å; M634-D636 HydrophobicContact CE-CB 3.83Å; M634-D636 HydrophobicContact CG-CB 4.3Å; M634-D636 HydrophobicContact SD-CB 4.38Å
635	I	81.3	Confident	82.8	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.2	169.3	-59.9	171.7	0	0	0	106.2	D400 F613 V622 V624 L657 F670	D400-I635 HydrophobicContact CB-CG2 4.26Å; F613-I635 HydrophobicContact CD1-CD1 3.73Å; F613-I635 HydrophobicContact CE1-CD1 3.62Å; V622-I635 HydrophobicContact CB-CB 4.29Å; V622-I635 HydrophobicContact CG1-CD1 4.31Å; V622-I635 PolarHBondContact O-N 3.13Å; V624-I635 HydrophobicContact CG2-CD1 3.89Å; V624-I635 HydrophobicContact CG2-CG1 4.07Å; I635-L657 HydrophobicContact CD1-CD2 3.5Å; I635-F670 HydrophobicContact CG2-CB 4.47Å; I635-F670 HydrophobicContact CG2-CD1 4.12Å; I635-F670 HydrophobicContact CG2-CG 4.3Å
636	D	68.4	Low	82.8	Confident	80 Å²	80	61 Å²	61	43%	0.428	32%	0.315	S	S	.	.			trans	-132.7	134.7	174.3	-174.7	14.3	0	0	0	108.6	M634	M634-D636 HydrophobicContact CE-CB 3.83Å; M634-D636 HydrophobicContact CG-CB 4.3Å; M634-D636 HydrophobicContact SD-CB 4.38Å
637	S	65.5	Low	82.8	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.042	31%	0.305	C	S	.	.			trans	-109.2	108.9	175.1	178.6	0	0	0	0	108.3	L639 E640	S637-L639 PolarHBondContact O-N 2.85Å; S637-L639 PolarHBondContact OG-N 3.04Å; S637-E640 CarbonylContact O-C 3.57Å; S637-E640 PolarHBondContact O-N 3.34Å; S637-E640 VanDerWaalsContact O-N 3.09Å; S637-E640 PolarHBondContact OG-N 3.03Å
638	K	61.6	Low	83	Confident	200 Å²	200	55.7 Å²	55.7	87%	0.87	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.2	171.3	-66.3	-176.3	179.6	177.5	0	113
639	L	60.9	Low	83.1	Confident	127 Å²	127	52 Å²	52	67%	0.665	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-36.6	-179.8	-67.2	162.1	0	0	0	112.1	S637	S637-L639 PolarHBondContact O-N 2.85Å; S637-L639 PolarHBondContact OG-N 3.04Å
640	E	69.1	Low	83.3	Confident	78 Å²	78	52.7 Å²	52.7	36%	0.364	27%	0.268	S	S	.	.	S	Bend	trans	-145.2	89.1	-167.8	-86.6	-66.7	164.1	0	0	109.7	F401 S637 K668	F401-E640 HydrophobicContact CD1-CG 4.33Å; F401-E640 HydrophobicContact CD2-CB 4.37Å; F401-E640 HydrophobicContact CE1-CG 3.95Å; F401-E640 HydrophobicContact CE2-CB 4.36Å; F401-E640 HydrophobicContact CE2-CG 4.42Å; F401-E640 HydrophobicContact CG-CB 4.43Å; F401-E640 HydrophobicContact CZ-CB 4.41Å; F401-E640 HydrophobicContact CZ-CG 3.98Å; S637-E640 CarbonylContact O-C 3.57Å; S637-E640 PolarHBondContact O-N 3.34Å; S637-E640 VanDerWaalsContact O-N 3.09Å; S637-E640 PolarHBondContact OG-N 3.03Å; E640-K668 PolarHBondContact O-NZ 3.26Å; E640-K668 IonicContact OE2-NZ 2.67Å; E640-K668 PolarHBondContact OE2-NZ 3.29Å
641	T	80.3	Confident	83.3	Confident	95 Å²	95	48.8 Å²	48.8	58%	0.583	25%	0.247	S	C	*	.			trans	-62.9	138.4	179.1	54.2	0	0	0	0	111.2	N664 K668	T641-N664 PolarHBondContact O-ND2 3.31Å; T641-K668 PolarHBondContact O-NZ 3.04Å
642	L	85.4	Confident	82.9	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.058	26%	0.262	C	S	.	.			trans	-76	148	170.4	-69	165.8	0	0	0	109.7	N620 V622 P645 V659 D661 K668 F670	N620-L642 WeakPolarHBondContact CB-O 3.36Å; V622-L642 HydrophobicContact CG2-CD1 3.95Å; L642-P645 HydrophobicContact CB-CG 4.42Å; L642-P645 HydrophobicContact CD1-CB 4.44Å; L642-P645 HydrophobicContact CD1-CG 4.47Å; L642-V659 HydrophobicContact CD1-CG1 4.38Å; L642-V659 HydrophobicContact CD2-CB 4.4Å; L642-V659 HydrophobicContact CD2-CG1 3.86Å; L642-D661 HydrophobicContact CD2-CB 4.22Å; L642-K668 HydrophobicContact CD2-CD 4Å; L642-F670 HydrophobicContact CD1-CZ 4.49Å; L642-F670 HydrophobicContact CD2-CE2 4.19Å; L642-F670 HydrophobicContact CD2-CZ 4.05Å; L642-F670 HydrophobicContact CG-CZ 4.34Å
643	S	87.1	Confident	82.5	Confident	48 Å²	48	53.7 Å²	53.7	34%	0.336	28%	0.279	S	S	.	.	S	Bend	trans	-129.2	92.1	175.8	-178.6	0	0	0	0	110.7	D661 G663	S643-D661 WeakPolarHBondContact CA-OD1 3.42Å; S643-D661 PolarHBondContact N-OD1 3.21Å; S643-D661 PolarHBondContact N-OD2 2.88Å; S643-G663 WeakPolarHBondContact O-CA 3.31Å; S643-G663 PolarHBondContact O-N 3.4Å
644	G	87.9	Confident	82.3	Confident	7 Å²	7	54.1 Å²	54.1	7%	0.072	29%	0.288	C	S	.	.	S	Bend	trans	68.2	57.3	-179.5	0	0	0	0	0	112.8	W617 N620 Q646 P662	W617-G644 VanDerWaalsContact CD1-CA 3.45Å; W617-G644 PolarHBondContact NE1-O 3.33Å; N620-G644 PolarHBondContact OD1-N 2.78Å; G644-Q646 PolarHBondContact O-N 2.85Å; G644-P662 WeakPolarHBondContact O-CD 3.3Å; G644-P662 WeakPolarHBondContact O-CG 3.5Å
645	P	91.9	Very high	82.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.			trans	-57.1	133.3	-179	26.3	-34.7	0	0	0	111.1	T602 L642 V659 V660	T602-P645 PolarHBondContact OG1-O 3.44Å; L642-P645 HydrophobicContact CB-CG 4.42Å; L642-P645 HydrophobicContact CD1-CB 4.44Å; L642-P645 HydrophobicContact CD1-CG 4.47Å; P645-V659 HydrophobicContact CB-CG1 3.66Å; P645-V660 VanDerWaalsContact CA-O 3.32Å; P645-V660 WeakPolarHBondContact CA-O 3.24Å
646	Q	93.4	Very high	82.7	Confident	44 Å²	44	53.7 Å²	53.7	21%	0.206	29%	0.286	C	S	.	.			trans	-110.7	-104.2	179.8	-72.4	-173.4	26.5	0	0	110.4	T602 G603 S615 G644 V660 P662	T602-Q646 PolarHBondContact OG1-O 3.46Å; G603-Q646 VanDerWaalsContact CA-O 3.24Å; G603-Q646 WeakPolarHBondContact CA-O 3.45Å; G603-Q646 PolarHBondContact N-O 3.33Å; S615-Q646 VanDerWaalsContact CB-O 3.27Å; S615-Q646 WeakPolarHBondContact CB-O 3.06Å; S615-Q646 PolarHBondContact OG-O 2.82Å; G644-Q646 PolarHBondContact O-N 2.85Å; Q646-V660 PolarHBondContact N-O 3.21Å; Q646-P662 HydrophobicContact CG-CG 3.85Å
647	G	91.4	Very high	83.8	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.021	27%	0.265	C	S	.	.			trans	-63.8	145	-179	0	0	0	0	0	113	S419 V660	S419-G647 WeakPolarHBondContact O-CA 3.36Å; S419-G647 PolarHBondContact O-N 3.35Å; G647-V660 PolarHBondContact O-N 3.33Å
648	L	93.8	Very high	85.2	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.3	171.9	-65.3	178	0	0	0	109.4	F613 S615 V622 L657 L658 V659	F613-L648 HydrophobicContact CB-CD1 4.29Å; S615-L648 VanDerWaalsContact N-CD1 3.32Å; S615-L648 WeakPolarHBondContact OG-CD1 3.42Å; S615-L648 VanDerWaalsContact OG-CD2 3.28Å; S615-L648 WeakPolarHBondContact OG-CD2 3.44Å; S615-L648 WeakPolarHBondContact OG-CG 3.48Å; V622-L648 HydrophobicContact CG1-CD1 4.22Å; V622-L648 HydrophobicContact CG2-CD2 4.09Å; L648-L657 HydrophobicContact CD2-CD1 4.28Å; L648-L658 WeakPolarHBondContact CA-O 3.46Å; L648-V659 HydrophobicContact CD2-CB 3.76Å; L648-V659 HydrophobicContact CD2-CG1 3.65Å; L648-V659 HydrophobicContact CD2-CG2 3.3Å
649	A	93.2	Very high	86.7	Confident	10 Å²	10	40.1 Å²	40.1	8%	0.083	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.6	166.7	0	0	0	0	0	109.9	I421 V423 L658	I421-A649 HydrophobicContact CG1-CB 4.3Å; I421-A649 HydrophobicContact CG2-CB 3.94Å; V423-A649 HydrophobicContact CG2-CB 3.9Å; A649-L658 PolarHBondContact N-O 2.87Å; A649-L658 PolarHBondContact O-N 2.97Å
650	L	91.9	Very high	88.3	Confident	24 Å²	24	34.1 Å²	34.1	13%	0.126	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	173.9	-75.9	91.7	0	0	0	110	D607 F613 Q652 L657 A672	D607-L650 HydrophobicContact CB-CD2 3.92Å; F613-L650 HydrophobicContact CB-CD1 4.26Å; F613-L650 HydrophobicContact CD2-CD1 4.25Å; F613-L650 HydrophobicContact CD2-CD2 3.82Å; F613-L650 HydrophobicContact CE1-CD2 4.39Å; F613-L650 HydrophobicContact CE2-CD2 3.74Å; F613-L650 HydrophobicContact CG-CD1 4.26Å; F613-L650 HydrophobicContact CG-CD2 4.25Å; F613-L650 HydrophobicContact CZ-CD2 4.03Å; L650-Q652 PolarHBondContact O-N 2.83Å; L650-L657 HydrophobicContact CD1-CD1 3.56Å; L650-L657 HydrophobicContact CD2-CD1 4.33Å; L650-L657 HydrophobicContact CG-CD1 3.67Å; L650-A672 HydrophobicContact CD2-CB 4.42Å
651	H	91.2	Very high	89.5	Confident	15 Å²	15	30.4 Å²	30.4	7%	0.069	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	105.2	167.3	-178.8	-124.2	0	0	0	109.3	V423 N427 L444 V653 S654 N655 K656 L658	V423-H651 HydrophobicContact CG1-CB 4.18Å; N427-H651 PolarHBondContact OD1-NE2 3.46Å; L444-H651 VanDerWaalsContact CD1-CE1 3.41Å; L444-H651 WeakPolarHBondContact CD1-CE1 3.27Å; L444-H651 HydrophobicContact CD2-CB 4.35Å; H651-V653 VanDerWaalsContact C-N 3.33Å; H651-V653 PolarHBondContact O-N 3.01Å; H651-S654 PolarHBondContact CE1-N 3.01Å; H651-S654 WeakPolarHBondContact ND1-CB 3.38Å; H651-S654 PolarHBondContact ND1-N 3.5Å; H651-S654 PolarHBondContact ND1-OG 3.22Å; H651-N655 VanDerWaalsContact O-CA 3.25Å; H651-N655 WeakPolarHBondContact O-CA 3.49Å; H651-N655 PolarHBondContact O-N 3.35Å; H651-K656 HydrophobicContact CB-CB 4.5Å; H651-K656 PolarHBondContact N-O 3.05Å; H651-K656 PolarHBondContact O-N 3.42Å; H651-L658 HydrophobicContact CB-CD1 4.49Å
652	Q	83	Confident	90	Very high	130 Å²	130	26.4 Å²	26.4	61%	0.607	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.8	-170.7	-64.7	-179.3	-11.7	0	0	113.7	L650	L650-Q652 PolarHBondContact O-N 2.83Å
653	V	82.3	Confident	90.1	Very high	132 Å²	132	27.6 Å²	27.6	80%	0.8	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-47.4	-174.4	-178.6	0	0	0	0	111.8	H651 N655	H651-V653 VanDerWaalsContact C-N 3.33Å; H651-V653 PolarHBondContact O-N 3.01Å; V653-N655 VanDerWaalsContact C-N 3.33Å
654	S	83.2	Confident	90.2	Very high	49 Å²	49	28.4 Å²	28.4	34%	0.343	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1	179.1	78.5	0	0	0	0	113.2	H651 K656	H651-S654 PolarHBondContact CE1-N 3.01Å; H651-S654 WeakPolarHBondContact ND1-CB 3.38Å; H651-S654 PolarHBondContact ND1-N 3.5Å; H651-S654 PolarHBondContact ND1-OG 3.22Å; S654-K656 PolarHBondContact O-N 3.28Å; S654-K656 VanDerWaalsContact O-N 3.16Å; S654-K656 WeakPolarHBondContact OG-CD 3.17Å; S654-K656 WeakPolarHBondContact OG-CG 3.36Å
655	N	85.5	Confident	90.4	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.112	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.3	-176.2	-160.2	55.2	0	0	0	113.6	H651 V653 A672 N673	H651-N655 VanDerWaalsContact O-CA 3.25Å; H651-N655 WeakPolarHBondContact O-CA 3.49Å; H651-N655 PolarHBondContact O-N 3.35Å; V653-N655 VanDerWaalsContact C-N 3.33Å; N655-A672 WeakPolarHBondContact O-CB 3.48Å; N655-A672 PolarHBondContact O-N 2.8Å; N655-N673 WeakPolarHBondContact ND2-CB 3.49Å; N655-N673 PolarHBondContact ND2-N 3.01Å; N655-N673 PolarHBondContact ND2-ND2 3.39Å; N655-N673 VanDerWaalsContact ND2-ND2 3.12Å; N655-N673 PolarHBondContact ND2-OD1 3.12Å
656	K	89.8	Confident	90.4	Very high	44 Å²	44	31.7 Å²	31.7	19%	0.191	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.1	176	-74.1	177.1	-178.2	-178.2	0	109.1	L402 L444 H651 S654 L658 V669 F670	L402-K656 HydrophobicContact CD1-CD 4.12Å; L402-K656 HydrophobicContact CD1-CG 3.84Å; L444-K656 PolarHBondContact O-NZ 3.49Å; H651-K656 HydrophobicContact CB-CB 4.5Å; H651-K656 PolarHBondContact N-O 3.05Å; H651-K656 PolarHBondContact O-N 3.42Å; S654-K656 PolarHBondContact O-N 3.28Å; S654-K656 VanDerWaalsContact O-N 3.16Å; S654-K656 WeakPolarHBondContact OG-CD 3.17Å; S654-K656 WeakPolarHBondContact OG-CG 3.36Å; K656-L658 HydrophobicContact CB-CD1 4.31Å; K656-V669 HydrophobicContact CB-CG1 4Å; K656-V669 HydrophobicContact CD-CG1 4.09Å; K656-V669 HydrophobicContact CG-CG1 4.26Å; K656-F670 CarbonylContact C-O 3.55Å; K656-F670 WeakPolarHBondContact CA-O 3.48Å
657	L	91.8	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.6	171.6	175	70.6	0	0	0	108.8	F613 V622 I635 L648 L650 V659 V669 F670 A672	F613-L657 HydrophobicContact CB-CD1 4.45Å; F613-L657 HydrophobicContact CD1-CD1 4.16Å; F613-L657 HydrophobicContact CD1-CD2 3.96Å; F613-L657 HydrophobicContact CE1-CD2 4.43Å; F613-L657 HydrophobicContact CG-CD1 4.47Å; V622-L657 HydrophobicContact CG1-CD2 4.16Å; I635-L657 HydrophobicContact CD1-CD2 3.5Å; L648-L657 HydrophobicContact CD2-CD1 4.28Å; L650-L657 HydrophobicContact CD1-CD1 3.56Å; L650-L657 HydrophobicContact CD2-CD1 4.33Å; L650-L657 HydrophobicContact CG-CD1 3.67Å; L657-V659 HydrophobicContact CD2-CG2 3.95Å; L657-V659 HydrophobicContact CG-CG2 3.85Å; L657-V669 CarbonylContact O-C 3.52Å; L657-V669 WeakPolarHBondContact O-CA 3.24Å; L657-F670 HydrophobicContact CB-CB 4.37Å; L657-F670 PolarHBondContact N-O 3.43Å; L657-F670 PolarHBondContact O-N 3.43Å; L657-A672 HydrophobicContact CB-CB 4.37Å
658	L	94.1	Very high	90.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.7	175.6	-64.1	77.4	0	0	0	108.3	I421 V423 I429 L648 A649 H651 K656 F667 V669	I421-L658 HydrophobicContact CD1-CB 3.74Å; I421-L658 HydrophobicContact CD1-CD2 3.99Å; V423-L658 HydrophobicContact CG2-CD1 3.98Å; V423-L658 HydrophobicContact CG2-CD2 3.97Å; I429-L658 HydrophobicContact CB-CD2 4.31Å; I429-L658 HydrophobicContact CD1-CD2 3.38Å; I429-L658 HydrophobicContact CG1-CD2 3.6Å; I429-L658 HydrophobicContact CG2-CD2 3.72Å; L648-L658 WeakPolarHBondContact CA-O 3.46Å; A649-L658 PolarHBondContact N-O 2.87Å; A649-L658 PolarHBondContact O-N 2.97Å; H651-L658 HydrophobicContact CB-CD1 4.49Å; K656-L658 HydrophobicContact CB-CD1 4.31Å; L658-F667 HydrophobicContact CD2-CE2 4.45Å; L658-V669 HydrophobicContact CD1-CG1 4.49Å; L658-V669 HydrophobicContact CG-CG1 4.26Å; L658-V669 HydrophobicContact CG-CG2 4.06Å
659	V	93.9	Very high	90.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.4	-176.1	-176.2	0	0	0	0	109.3	V622 L642 P645 L648 L657 F667 K668 F670	V622-V659 HydrophobicContact CG2-CG1 4.24Å; V622-V659 HydrophobicContact CG2-CG2 4.17Å; L642-V659 HydrophobicContact CD1-CG1 4.38Å; L642-V659 HydrophobicContact CD2-CB 4.4Å; L642-V659 HydrophobicContact CD2-CG1 3.86Å; P645-V659 HydrophobicContact CB-CG1 3.66Å; L648-V659 HydrophobicContact CD2-CB 3.76Å; L648-V659 HydrophobicContact CD2-CG1 3.65Å; L648-V659 HydrophobicContact CD2-CG2 3.3Å; L657-V659 HydrophobicContact CD2-CG2 3.95Å; L657-V659 HydrophobicContact CG-CG2 3.85Å; V659-F667 CarbonylContact O-C 3.5Å; V659-F667 WeakPolarHBondContact O-CA 3.14Å; V659-F667 WeakPolarHBondContact O-CB 3.46Å; V659-K668 PolarHBondContact N-O 3.38Å; V659-K668 PolarHBondContact O-N 2.99Å; V659-F670 HydrophobicContact CB-CD2 4.48Å; V659-F670 HydrophobicContact CB-CE2 4.08Å; V659-F670 HydrophobicContact CG2-CD2 3.83Å; V659-F670 HydrophobicContact CG2-CE2 3.82Å
660	V	95.1	Very high	90.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.8	172.9	-178.2	0	0	0	0	109.3	P418 I421 P645 Q646 G647 P662 F667	P418-V660 HydrophobicContact CB-CG1 3.58Å; P418-V660 HydrophobicContact CG-CG1 3.83Å; P418-V660 WeakPolarHBondContact O-CG1 3.42Å; I421-V660 HydrophobicContact CB-CG2 3.48Å; I421-V660 VanDerWaalsContact CB-CG2 3.48Å; I421-V660 HydrophobicContact CD1-CG2 4.02Å; I421-V660 HydrophobicContact CG1-CG2 4.35Å; I421-V660 HydrophobicContact CG2-CG2 3.57Å; P645-V660 VanDerWaalsContact CA-O 3.32Å; P645-V660 WeakPolarHBondContact CA-O 3.24Å; Q646-V660 PolarHBondContact N-O 3.21Å; G647-V660 PolarHBondContact O-N 3.33Å; V660-P662 VanDerWaalsContact O-CD 3.31Å; V660-P662 WeakPolarHBondContact O-CD 3.34Å; V660-F667 HydrophobicContact CG2-CB 4.41Å
661	D	92.5	Very high	89.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	80.2	-176.9	-172.2	-5.3	0	0	0	109.4	L642 S643 G663 N664 Y665 C666 K668	L642-D661 HydrophobicContact CD2-CB 4.22Å; S643-D661 WeakPolarHBondContact CA-OD1 3.42Å; S643-D661 PolarHBondContact N-OD1 3.21Å; S643-D661 PolarHBondContact N-OD2 2.88Å; D661-G663 VanDerWaalsContact C-N 3.27Å; D661-G663 PolarHBondContact O-N 3.49Å; D661-N664 CarbonylContact O-C 3.46Å; D661-N664 PolarHBondContact O-N 3.43Å; D661-N664 VanDerWaalsContact O-N 3.16Å; D661-N664 PolarHBondContact OD1-N 3.02Å; D661-N664 PolarHBondContact OD2-ND2 3.39Å; D661-Y665 PolarHBondContact O-N 3.37Å; D661-Y665 VanDerWaalsContact O-N 3.07Å; D661-C666 CarbonylContact C-O 3.59Å; D661-C666 WeakPolarHBondContact CA-O 3.47Å; D661-C666 PolarHBondContact N-O 2.92Å; D661-C666 PolarHBondContact O-N 3.31Å; D661-C666 VanDerWaalsContact O-N 3.17Å; D661-C666 VanDerWaalsContact O-O 3.11Å; D661-K668 HydrophobicContact CB-CG 4.45Å; D661-K668 WeakPolarHBondContact OD2-CE 3.26Å; D661-K668 IonicContact OD2-NZ 3.94Å; D661-K668 PolarHBondContact OD2-NZ 3.18Å
662	P	91	Very high	89.3	Confident	12 Å²	12	30 Å²	30	8%	0.078	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63.7	-30.2	-176.1	22.8	-31.1	0	0	0	113.3	P418 G644 Q646 V660 N664 Y665	P418-P662 HydrophobicContact CG-CB 4.42Å; P418-P662 WeakPolarHBondContact O-CB 3.47Å; G644-P662 WeakPolarHBondContact O-CD 3.3Å; G644-P662 WeakPolarHBondContact O-CG 3.5Å; Q646-P662 HydrophobicContact CG-CG 3.85Å; V660-P662 VanDerWaalsContact O-CD 3.31Å; V660-P662 WeakPolarHBondContact O-CD 3.34Å; P662-N664 PolarHBondContact O-N 2.96Å; P662-Y665 PolarHBondContact O-N 3.02Å; P662-Y665 VanDerWaalsContact O-N 3.11Å
663	G	88.1	Confident	88.8	Confident	36 Å²	36	26.4 Å²	26.4	37%	0.371	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-64.1	-31.1	176.7	0	0	0	0	0	112.7	S643 D661	S643-G663 WeakPolarHBondContact O-CA 3.31Å; S643-G663 PolarHBondContact O-N 3.4Å; D661-G663 VanDerWaalsContact C-N 3.27Å; D661-G663 PolarHBondContact O-N 3.49Å
664	N	88.7	Confident	87.5	Confident	64 Å²	64	22.7 Å²	22.7	34%	0.342	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-99.2	8.1	174.2	-67.6	-44.2	0	0	0	113.6	T641 D661 P662 C666	T641-N664 PolarHBondContact O-ND2 3.31Å; D661-N664 CarbonylContact O-C 3.46Å; D661-N664 PolarHBondContact O-N 3.43Å; D661-N664 VanDerWaalsContact O-N 3.16Å; D661-N664 PolarHBondContact OD1-N 3.02Å; D661-N664 PolarHBondContact OD2-ND2 3.39Å; P662-N664 PolarHBondContact O-N 2.96Å; N664-C666 PolarHBondContact O-N 3.5Å
665	Y	92.1	Very high	85.6	Confident	69 Å²	69	22.8 Å²	22.8	27%	0.271	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	36.8	179.7	-52.5	-84.7	0	0	0	113.8	G406 T407 K408 F415 A416 D661 P662	G406-Y665 CarbonylContact C-O 3.47Å; T407-Y665 PolarHBondContact N-O 2.88Å; K408-Y665 HydrophobicContact CB-CD1 4.06Å; K408-Y665 HydrophobicContact CB-CD2 3.64Å; K408-Y665 HydrophobicContact CB-CE1 4.45Å; K408-Y665 HydrophobicContact CB-CE2 4.04Å; K408-Y665 HydrophobicContact CB-CG 3.63Å; K408-Y665 HydrophobicContact CD-CD1 4.44Å; K408-Y665 HydrophobicContact CD-CD2 4.17Å; K408-Y665 HydrophobicContact CD-CE1 4Å; K408-Y665 HydrophobicContact CD-CE2 3.67Å; K408-Y665 WeakPolarHBondContact CE-OH 3.45Å; K408-Y665 HydrophobicContact CG-CD1 3.86Å; K408-Y665 HydrophobicContact CG-CD2 4.05Å; K408-Y665 HydrophobicContact CG-CE1 3.86Å; K408-Y665 HydrophobicContact CG-CE2 4.02Å; K408-Y665 HydrophobicContact CG-CG 3.96Å; K408-Y665 PolarHBondContact NZ-OH 3.4Å; F415-Y665 WeakPolarHBondContact CD2-O 3.36Å; A416-Y665 WeakPolarHBondContact O-CD1 3.5Å; A416-Y665 WeakPolarHBondContact O-CE1 3.33Å; D661-Y665 PolarHBondContact O-N 3.37Å; D661-Y665 VanDerWaalsContact O-N 3.07Å; P662-Y665 PolarHBondContact O-N 3.02Å; P662-Y665 VanDerWaalsContact O-N 3.11Å
666	C	91.9	Very high	83.4	Confident	7 Å²	7	31.2 Å²	31.2	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	174	-177.2	66.3	0	0	0	0	111.9	V405 D661 N664	V405-C666 WeakPolarHBondContact O-CA 3.39Å; V405-C666 VanDerWaalsContact O-CB 3.24Å; V405-C666 WeakPolarHBondContact O-CB 3.42Å; D661-C666 CarbonylContact C-O 3.59Å; D661-C666 WeakPolarHBondContact CA-O 3.47Å; D661-C666 PolarHBondContact N-O 2.92Å; D661-C666 PolarHBondContact O-N 3.31Å; D661-C666 VanDerWaalsContact O-N 3.17Å; D661-C666 VanDerWaalsContact O-O 3.11Å; N664-C666 PolarHBondContact O-N 3.5Å
667	F	93.5	Very high	80.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.7	158.5	69.8	-91.6	0	0	0	109.5	S404 V405 F415 I421 I429 V431 F442 L658 V659 V660 V669	S404-F667 CarbonylContact C-O 3.6Å; S404-F667 WeakPolarHBondContact CA-O 3.35Å; V405-F667 HydrophobicContact CB-CD1 4.14Å; V405-F667 HydrophobicContact CB-CE1 3.53Å; V405-F667 HydrophobicContact CB-CE2 4.05Å; V405-F667 HydrophobicContact CB-CZ 3.49Å; V405-F667 VanDerWaalsContact CB-CZ 3.49Å; V405-F667 HydrophobicContact CG1-CE1 3.8Å; V405-F667 HydrophobicContact CG1-CZ 3.97Å; V405-F667 HydrophobicContact CG2-CE1 4.27Å; V405-F667 HydrophobicContact CG2-CE2 4.01Å; V405-F667 HydrophobicContact CG2-CZ 3.7Å; V405-F667 PolarHBondContact N-O 2.95Å; V405-F667 PolarHBondContact O-N 2.86Å; F415-F667 HydrophobicContact CE2-CD1 4.06Å; F415-F667 HydrophobicContact CE2-CE1 4.37Å; F415-F667 HydrophobicContact CZ-CD1 4.04Å; F415-F667 HydrophobicContact CZ-CE1 4.2Å; I421-F667 HydrophobicContact CD1-CB 4.19Å; I421-F667 HydrophobicContact CD1-CD2 4.25Å; I421-F667 HydrophobicContact CD1-CG 4.21Å; I429-F667 HydrophobicContact CD1-CE2 4.04Å; I429-F667 HydrophobicContact CD1-CZ 4.2Å; I429-F667 HydrophobicContact CG2-CZ 4.49Å; V431-F667 HydrophobicContact CG2-CD1 3.93Å; V431-F667 HydrophobicContact CG2-CE1 4.08Å; F442-F667 AromaticContact CD2-CE1 3.97Å; F442-F667 HydrophobicContact CD2-CE1 3.97Å; F442-F667 HydrophobicContact CD2-CZ 4.34Å; F442-F667 HydrophobicContact CE2-CE1 4.04Å; F442-F667 HydrophobicContact CG-CE1 4.25Å; F442-F667 HydrophobicContact CG-CZ 4.28Å; F442-F667 HydrophobicContact CZ-CE1 4.39Å; L658-F667 HydrophobicContact CD2-CE2 4.45Å; V659-F667 CarbonylContact O-C 3.5Å; V659-F667 WeakPolarHBondContact O-CA 3.14Å; V659-F667 WeakPolarHBondContact O-CB 3.46Å; V660-F667 HydrophobicContact CG2-CB 4.41Å; F667-V669 HydrophobicContact CD2-CG2 4.02Å; F667-V669 HydrophobicContact CE2-CG2 3.95Å
668	K	91.4	Very high	77.8	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.8	-179.2	-63.7	-168.2	-178.5	-176.7	0	109.6	F401 E640 T641 L642 V659 D661 F670	F401-K668 HydrophobicContact CD2-CB 4.38Å; F401-K668 HydrophobicContact CE2-CB 3.95Å; F401-K668 HydrophobicContact CE2-CD 4.03Å; F401-K668 HydrophobicContact CE2-CG 4.05Å; E640-K668 PolarHBondContact O-NZ 3.26Å; E640-K668 IonicContact OE2-NZ 2.67Å; E640-K668 PolarHBondContact OE2-NZ 3.29Å; T641-K668 PolarHBondContact O-NZ 3.04Å; L642-K668 HydrophobicContact CD2-CD 4Å; V659-K668 PolarHBondContact N-O 3.38Å; V659-K668 PolarHBondContact O-N 2.99Å; D661-K668 HydrophobicContact CB-CG 4.45Å; D661-K668 WeakPolarHBondContact OD2-CE 3.26Å; D661-K668 IonicContact OD2-NZ 3.94Å; D661-K668 PolarHBondContact OD2-NZ 3.18Å; K668-F670 HydrophobicContact CB-CD2 4.36Å; K668-F670 HydrophobicContact CB-CE2 3.46Å; K668-F670 VanDerWaalsContact CB-CE2 3.46Å; K668-F670 HydrophobicContact CB-CZ 3.79Å; K668-F670 HydrophobicContact CD-CZ 4.18Å
669	V	91.2	Very high	74.7	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.5	-179.9	-170.4	0	0	0	0	109	L402 Y403 K656 L657 L658 F667	L402-V669 WeakPolarHBondContact CA-O 3.37Å; L402-V669 WeakPolarHBondContact CB-O 3.35Å; L402-V669 HydrophobicContact CD1-CG1 4.16Å; L402-V669 PolarHBondContact N-O 3.06Å; Y403-V669 HydrophobicContact CD1-CB 4.37Å; Y403-V669 HydrophobicContact CD2-CB 4.49Å; Y403-V669 HydrophobicContact CD2-CG2 4.13Å; Y403-V669 HydrophobicContact CE1-CB 4Å; Y403-V669 HydrophobicContact CE1-CG1 4.14Å; Y403-V669 HydrophobicContact CE1-CG2 4.22Å; Y403-V669 HydrophobicContact CE2-CB 4.14Å; Y403-V669 HydrophobicContact CE2-CG2 3.52Å; Y403-V669 PolarHBondContact N-O 3.11Å; Y403-V669 PolarHBondContact O-N 3Å; K656-V669 HydrophobicContact CB-CG1 4Å; K656-V669 HydrophobicContact CD-CG1 4.09Å; K656-V669 HydrophobicContact CG-CG1 4.26Å; L657-V669 CarbonylContact O-C 3.52Å; L657-V669 WeakPolarHBondContact O-CA 3.24Å; L658-V669 HydrophobicContact CD1-CG1 4.49Å; L658-V669 HydrophobicContact CG-CG1 4.26Å; L658-V669 HydrophobicContact CG-CG2 4.06Å; F667-V669 HydrophobicContact CD2-CG2 4.02Å; F667-V669 HydrophobicContact CE2-CG2 3.95Å
670	F	89	Confident	71.9	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	157.6	-178.9	-56.1	-97.1	0	0	0	110.6	D400 F401 I635 L642 K656 L657 V659 K668	D400-F670 HydrophobicContact CB-CD1 4.34Å; D400-F670 CarbonylContact O-C 3.32Å; D400-F670 WeakPolarHBondContact O-CA 3.36Å; D400-F670 WeakPolarHBondContact O-CB 3.42Å; F401-F670 HydrophobicContact CB-CD1 3.88Å; F401-F670 HydrophobicContact CB-CE1 3.85Å; F401-F670 HydrophobicContact CD2-CD1 4.2Å; F401-F670 AromaticContact CD2-CE1 3.76Å; F401-F670 HydrophobicContact CD2-CE1 3.76Å; F401-F670 HydrophobicContact CD2-CZ 4.03Å; F401-F670 HydrophobicContact CG-CE1 4.29Å; I635-F670 HydrophobicContact CG2-CB 4.47Å; I635-F670 HydrophobicContact CG2-CD1 4.12Å; I635-F670 HydrophobicContact CG2-CG 4.3Å; L642-F670 HydrophobicContact CD1-CZ 4.49Å; L642-F670 HydrophobicContact CD2-CE2 4.19Å; L642-F670 HydrophobicContact CD2-CZ 4.05Å; L642-F670 HydrophobicContact CG-CZ 4.34Å; K656-F670 CarbonylContact C-O 3.55Å; K656-F670 WeakPolarHBondContact CA-O 3.48Å; L657-F670 HydrophobicContact CB-CB 4.37Å; L657-F670 PolarHBondContact N-O 3.43Å; L657-F670 PolarHBondContact O-N 3.43Å; V659-F670 HydrophobicContact CB-CD2 4.48Å; V659-F670 HydrophobicContact CB-CE2 4.08Å; V659-F670 HydrophobicContact CG2-CD2 3.83Å; V659-F670 HydrophobicContact CG2-CE2 3.82Å; K668-F670 HydrophobicContact CB-CD2 4.36Å; K668-F670 HydrophobicContact CB-CE2 3.46Å; K668-F670 VanDerWaalsContact CB-CE2 3.46Å; K668-F670 HydrophobicContact CB-CZ 3.79Å; K668-F670 HydrophobicContact CD-CZ 4.18Å
671	N	86.7	Confident	69	Low	62 Å²	62	63.4 Å²	63.4	33%	0.332	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.9	166.5	-175.8	-0.2	0	0	0	108.9	D400 L402 N673	D400-N671 PolarHBondContact O-N 3.4Å; L402-N671 HydrophobicContact CD2-CB 4.43Å; N671-N673 VanDerWaalsContact C-N 3.28Å; N671-N673 PolarHBondContact O-N 3.16Å; N671-N673 PolarHBondContact OD1-N 3.44Å
672	A	81	Confident	66.1	Low	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-72.9	-21	-179.5	0	0	0	0	0	112.8	F613 R633 L650 N655 L657	F613-A672 HydrophobicContact CE1-CB 4.03Å; F613-A672 HydrophobicContact CZ-CB 3.99Å; R633-A672 PolarHBondContact NH2-O 3.48Å; L650-A672 HydrophobicContact CD2-CB 4.42Å; N655-A672 WeakPolarHBondContact O-CB 3.48Å; N655-A672 PolarHBondContact O-N 2.8Å; L657-A672 HydrophobicContact CB-CB 4.37Å
673	N	71.5	Confident	63.3	Low	55 Å²	55	72 Å²	72	29%	0.294	39%	0.389	S	S	.	.			trans	-101.7	71	177.8	-78.5	-5.8	0	0	0	111.2	R611 N655 N671	R611-N673 PolarHBondContact NH2-OD1 3.27Å; R611-N673 VanDerWaalsContact NH2-OD1 3.08Å; N655-N673 WeakPolarHBondContact ND2-CB 3.49Å; N655-N673 PolarHBondContact ND2-N 3.01Å; N655-N673 PolarHBondContact ND2-ND2 3.39Å; N655-N673 VanDerWaalsContact ND2-ND2 3.12Å; N655-N673 PolarHBondContact ND2-OD1 3.12Å; N671-N673 VanDerWaalsContact C-N 3.28Å; N671-N673 PolarHBondContact O-N 3.16Å; N671-N673 PolarHBondContact OD1-N 3.44Å
674	S	54.4	Low	60.8	Low	54 Å²	54	84.1 Å²	84.1	38%	0.378	43%	0.426	S	S	.	.			trans	-99.5	91.1	157.9	-167.3	0	0	0	0	108.4	D400	D400-S674 WeakPolarHBondContact OD1-CB 3.44Å; D400-S674 PolarHBondContact OD1-OG 3.41Å; D400-S674 WeakPolarHBondContact OD2-CB 3.49Å
675	T	45	Very low	59.4	Low	51 Å²	51	85.1 Å²	85.1	31%	0.313	43%	0.43	S	S	.	.			trans	-121.1	122.4	168.2	48	0	0	0	0	106.3	E677	T675-E677 PolarHBondContact O-N 3.28Å
676	K	38.9	Very low	57.7	Low	198 Å²	198	85.9 Å²	85.9	86%	0.861	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-56.6	-5.9	162.6	-78.6	-174.3	172.9	-178.2	0	112.8
677	E	33.8	Very low	55.8	Low	152 Å²	152	90.3 Å²	90.3	71%	0.71	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-89.9	-13.4	-172.9	-66.2	-161.2	144.8	0	0	116.5	T675 G679 R680	T675-E677 PolarHBondContact O-N 3.28Å; E677-G679 PolarHBondContact O-N 3.32Å; E677-R680 PolarHBondContact O-N 3.05Å
678	Q	30.7	Very low	53.6	Low	143 Å²	143	95.6 Å²	95.6	67%	0.668	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-73.7	-4.7	172	-78.3	-168.7	-14.9	0	0	113.7	R680	Q678-R680 VanDerWaalsContact C-N 3.32Å
679	G	29	Very low	51.2	Low	60 Å²	60	101.6 Å²	101.6	62%	0.619	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-77.6	-8.4	167.7	0	0	0	0	0	114.9	E677	E677-G679 PolarHBondContact O-N 3.32Å
680	R	34.2	Very low	48.5	Very low	207 Å²	207	108.3 Å²	108.3	78%	0.781	55%	0.552	S	S	*	*	S	Bend	trans	-112.1	0.3	-174.9	-130.6	-179.9	-173.3	179.7	1.5	115.9	E677 Q678	E677-R680 PolarHBondContact O-N 3.05Å; Q678-R680 VanDerWaalsContact C-N 3.32Å
681	L	34.2	Very low	45.6	Very low	159 Å²	159	115.9 Å²	115.9	83%	0.832	59%	0.59	S	S	*	*	S	Bend	trans	-116.7	9.1	-179.2	-84.4	155.2	0	0	0	114.7
682	S	31.8	Very low	42.5	Very low	106 Å²	106	120.1 Å²	120.1	74%	0.741	61%	0.61	S	S	*	*	S	Bend	trans	-113.7	15.7	169.2	59.9	0	0	0	0	114.2
683	S	32.8	Very low	39.3	Very low	85 Å²	85	130.1 Å²	130.1	59%	0.594	66%	0.661	S	S	*	*			trans	-129.7	73.6	166.6	51.3	0	0	0	0	110.7
684	Y	35	Very low	36.4	Very low	291 Å²	291	136.9 Å²	136.9	100%	1.141	69%	0.694	S	S	*	*			trans	-136.4	0	150	-83.8	-73.2	0	0	0	108.6

Retrieved 684 of 684 residues in 295.2 ms (Link to these results)

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